*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 20 ASP~? 1000.00 A 86 HIS A 24 HIS~? 1000.00 A 250 ALA A 25 ALA~? 1000.00 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 30.12 22.78 5.92 32.01 21.81 6.21 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 30.46 27.80 7.66 32.02 26.80 8.64 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 24.66 29.89 7.01 23.46 28.95 7.01 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 1 hits 2wwt_o00 naa= 3 ULMN 4 1aq0_c00 1,3-1,4-BETA-GLUCANASE user 1 4 # 1 A 232 GLU A 55 GLU~? 1000.00 A 280 GLU A 49 GLU~? 1000.00 A 283 LYS A 50 LYS~? 1000.00 A 288 GLU A 51 GLU~? 1000.00 coo 5.76 85.47 37.35 6.76 85.56 39.24 7.27 -2.35 23.75 5.91 -1.24 24.94 coo 4.25 95.66 42.75 4.18 93.57 42.69 5.57 8.27 23.63 6.14 9.42 25.32 coo 9.66 95.18 46.95 8.19 90.97 44.00 0.09 8.40 21.26 -4.15 11.42 17.76 coo 13.49 92.75 43.16 12.39 91.15 42.33 -0.18 4.44 16.76 -2.11 5.26 16.37 ULMN 4 1aq0_c00 1,3-1,4-BETA-GLUCANASE user 2 4 # 2 A 232 GLU A 55 GLU~? 1000.00 A 280 GLU A 51 GLU~? 1000.00 A 283 LYS A 50 LYS~? 1000.00 A 288 GLU A 49 GLU~? 1000.00 coo 5.76 85.47 37.35 6.76 85.56 39.24 7.27 -2.35 23.75 5.91 -1.24 24.94 coo 4.25 95.66 42.75 4.18 93.57 42.69 -0.18 4.44 16.76 -2.11 5.26 16.37 coo 9.66 95.18 46.95 8.19 90.97 44.00 0.09 8.40 21.26 -4.15 11.42 17.76 coo 13.49 92.75 43.16 12.39 91.15 42.33 5.57 8.27 23.63 6.14 9.42 25.32 1aq0_c00 source 1aq0 1,3-1,4-BETA-GLUCANASE : 2 hits 1aq0_c00 naa= 4 ULMN 4 1aq0_c01 1,3-1,4-BETA-GLUCANASE user 1 4 # 1 B 232 GLU A 55 GLU~? 1000.00 B 280 GLU A 49 GLU~? 1000.00 B 283 LYS A 50 LYS~? 1000.00 B 288 GLU A 51 GLU~? 1000.00 coo -0.96 61.87 2.24 -2.27 63.48 2.70 7.27 -2.35 23.75 5.91 -1.24 24.94 coo -4.32 67.50 -7.41 -4.63 66.46 -5.59 5.57 8.27 23.63 6.14 9.42 25.32 coo -6.22 73.35 -4.20 -4.99 69.00 -1.28 0.09 8.40 21.26 -4.15 11.42 17.76 coo -1.91 73.68 -0.16 -1.91 71.74 0.71 -0.18 4.44 16.76 -2.11 5.26 16.37 ULMN 4 1aq0_c01 1,3-1,4-BETA-GLUCANASE user 2 4 # 2 B 232 GLU A 55 GLU~? 1000.00 B 280 GLU A 51 GLU~? 1000.00 B 283 LYS A 50 LYS~? 1000.00 B 288 GLU A 49 GLU~? 1000.00 coo -0.96 61.87 2.24 -2.27 63.48 2.70 7.27 -2.35 23.75 5.91 -1.24 24.94 coo -4.32 67.50 -7.41 -4.63 66.46 -5.59 -0.18 4.44 16.76 -2.11 5.26 16.37 coo -6.22 73.35 -4.20 -4.99 69.00 -1.28 0.09 8.40 21.26 -4.15 11.42 17.76 coo -1.91 73.68 -0.16 -1.91 71.74 0.71 5.57 8.27 23.63 6.14 9.42 25.32 1aq0_c01 source 1aq0 1,3-1,4-BETA-GLUCANASE : 2 hits 1aq0_c01 naa= 4 ULMN 4 1ghs_c00 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1user 1 4 # 1 A 231 GLU A 55 GLU~? 1000.00 A 279 GLU A 49 GLU~? 1000.00 A 282 LYS A 50 LYS~? 1000.00 A 288 GLU A 51 GLU~? 1000.00 coo 56.45 0.46 86.18 56.87 -0.85 87.80 7.27 -2.35 23.75 5.91 -1.24 24.94 coo 47.04 -1.91 92.33 48.79 -2.81 91.49 5.57 8.27 23.63 6.14 9.42 25.32 coo 49.98 -4.05 98.00 52.40 -3.58 93.17 0.09 8.40 21.26 -4.15 11.42 17.76 coo 54.40 -0.12 97.85 55.58 0.51 96.24 -0.18 4.44 16.76 -2.11 5.26 16.37 ULMN 4 1ghs_c00 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1user 2 4 # 2 A 231 GLU A 55 GLU~? 1000.00 A 279 GLU A 51 GLU~? 1000.00 A 282 LYS A 50 LYS~? 1000.00 A 288 GLU A 49 GLU~? 1000.00 coo 56.45 0.46 86.18 56.87 -0.85 87.80 7.27 -2.35 23.75 5.91 -1.24 24.94 coo 47.04 -1.91 92.33 48.79 -2.81 91.49 -0.18 4.44 16.76 -2.11 5.26 16.37 coo 49.98 -4.05 98.00 52.40 -3.58 93.17 0.09 8.40 21.26 -4.15 11.42 17.76 coo 54.40 -0.12 97.85 55.58 0.51 96.24 5.57 8.27 23.63 6.14 9.42 25.32 1ghs_c00 source 1ghs 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1,3-BETA-D-: 2 hits 1ghs_c00 naa= 4 ULMN 4 1ghs_c01 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1user 1 4 # 1 B 231 GLU A 55 GLU~? 1000.00 B 279 GLU A 49 GLU~? 1000.00 B 282 LYS A 50 LYS~? 1000.00 B 288 GLU A 51 GLU~? 1000.00 coo 47.83 -0.67 47.15 49.17 -0.90 48.81 7.27 -2.35 23.75 5.91 -1.24 24.94 coo 44.68 -9.78 53.79 46.22 -8.74 52.81 5.57 8.27 23.63 6.14 9.42 25.32 coo 47.92 -7.86 59.48 48.51 -6.22 53.96 0.09 8.40 21.26 -4.15 11.42 17.76 coo 47.02 -1.91 59.02 47.41 -1.07 57.09 -0.18 4.44 16.76 -2.11 5.26 16.37 ULMN 4 1ghs_c01 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1user 2 4 # 2 B 231 GLU A 55 GLU~? 1000.00 B 279 GLU A 51 GLU~? 1000.00 B 282 LYS A 50 LYS~? 1000.00 B 288 GLU A 49 GLU~? 1000.00 coo 47.83 -0.67 47.15 49.17 -0.90 48.81 7.27 -2.35 23.75 5.91 -1.24 24.94 coo 44.68 -9.78 53.79 46.22 -8.74 52.81 -0.18 4.44 16.76 -2.11 5.26 16.37 coo 47.92 -7.86 59.48 48.51 -6.22 53.96 0.09 8.40 21.26 -4.15 11.42 17.76 coo 47.02 -1.91 59.02 47.41 -1.07 57.09 5.57 8.27 23.63 6.14 9.42 25.32 1ghs_c01 source 1ghs 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1,3-BETA-D-: 2 hits 1ghs_c01 naa= 4 ULMN 3 1bhg_c04 BETA-GLUCURONIDASE user 1 3 # 1 A 382 ARG A 36 ARG~? 1000.00 A 451 GLU A 35 GLU~? 1000.00 A 540 GLU A 39 GLU~? 1000.00 coo 79.04 80.20 80.81 79.58 81.40 83.63 11.84 22.16 8.48 13.18 19.49 7.70 coo 81.34 87.29 87.22 82.36 86.09 88.61 14.32 26.50 16.55 13.72 28.45 17.04 coo 79.94 80.46 88.84 81.11 81.36 87.27 7.49 21.22 15.54 6.62 23.09 15.24 ULMN 3 1bhg_c04 BETA-GLUCURONIDASE user 2 3 # 2 A 382 ARG A 36 ARG~? 1000.00 A 451 GLU A 39 GLU~? 1000.00 A 540 GLU A 35 GLU~? 1000.00 coo 79.04 80.20 80.81 79.58 81.40 83.63 11.84 22.16 8.48 13.18 19.49 7.70 coo 81.34 87.29 87.22 82.36 86.09 88.61 7.49 21.22 15.54 6.62 23.09 15.24 coo 79.94 80.46 88.84 81.11 81.36 87.27 14.32 26.50 16.55 13.72 28.45 17.04 1bhg_c04 source 1bhg BETA-GLUCURONIDASE : 2 hits 1bhg_c04 naa= 3 ULMN 3 1bhg_c05 BETA-GLUCURONIDASE user 1 3 # 1 B 382 ARG A 36 ARG~? 1000.00 B 451 GLU A 35 GLU~? 1000.00 B 540 GLU A 39 GLU~? 1000.00 coo 82.21 41.07 119.14 83.95 40.66 116.59 11.84 22.16 8.48 13.18 19.49 7.70 coo 86.52 35.28 112.74 87.08 36.38 110.99 14.32 26.50 16.55 13.72 28.45 17.04 coo 83.38 41.19 112.55 85.47 40.59 112.72 7.49 21.22 15.54 6.62 23.09 15.24 1bhg_c05 source 1bhg BETA-GLUCURONIDASE : 1 hits 1bhg_c05 naa= 3 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 71 GLN~? 1000.00 A 91 LEU A 64 LEU~? 1000.00 A 133 GLU A 75 GLU~? 1000.00 coo 43.58 43.67 66.73 42.32 42.78 68.15 23.90 -0.75 10.16 25.90 -1.43 10.59 coo 38.58 45.09 70.44 38.28 45.21 72.59 21.05 0.76 14.16 21.93 2.47 13.10 coo 44.05 36.87 70.65 43.15 38.64 69.97 24.36 4.80 6.70 24.73 6.38 8.09 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN A 71 GLN~? 1000.00 A 91 LEU A 70 LEU~? 1000.00 A 133 GLU A 75 GLU~? 1000.00 coo 43.58 43.67 66.73 42.32 42.78 68.15 23.90 -0.75 10.16 25.90 -1.43 10.59 coo 38.58 45.09 70.44 38.28 45.21 72.59 18.61 -1.82 9.54 17.39 -0.53 10.90 coo 44.05 36.87 70.65 43.15 38.64 69.97 24.36 4.80 6.70 24.73 6.38 8.09 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 3 3 # 3 A 50 GLN A 72 GLN~? 1000.00 A 91 LEU A 70 LEU~? 1000.00 A 133 GLU A 75 GLU~? 1000.00 coo 43.58 43.67 66.73 42.32 42.78 68.15 21.74 0.57 2.19 23.26 1.93 1.51 coo 38.58 45.09 70.44 38.28 45.21 72.59 18.61 -1.82 9.54 17.39 -0.53 10.90 coo 44.05 36.87 70.65 43.15 38.64 69.97 24.36 4.80 6.70 24.73 6.38 8.09 1bs4_c00 source 1bs4 PEPTIDE DEFORMYLASE : 3 hits 1bs4_c00 naa= 3 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 # 1 B 550 GLN A 71 GLN~? 1000.00 B 591 LEU A 64 LEU~? 1000.00 B 633 GLU A 75 GLU~? 1000.00 coo 88.06 44.34 57.19 89.06 45.53 55.74 23.90 -0.75 10.16 25.90 -1.43 10.59 coo 86.70 48.66 52.61 87.15 48.69 50.51 21.05 0.76 14.16 21.93 2.47 13.10 coo 95.42 44.52 54.43 93.46 45.31 54.70 24.36 4.80 6.70 24.73 6.38 8.09 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 # 2 B 550 GLN A 71 GLN~? 1000.00 B 591 LEU A 70 LEU~? 1000.00 B 633 GLU A 75 GLU~? 1000.00 coo 88.06 44.34 57.19 89.06 45.53 55.74 23.90 -0.75 10.16 25.90 -1.43 10.59 coo 86.70 48.66 52.61 87.15 48.69 50.51 18.61 -1.82 9.54 17.39 -0.53 10.90 coo 95.42 44.52 54.43 93.46 45.31 54.70 24.36 4.80 6.70 24.73 6.38 8.09 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 3 3 # 3 B 550 GLN A 72 GLN~? 1000.00 B 591 LEU A 70 LEU~? 1000.00 B 633 GLU A 75 GLU~? 1000.00 coo 88.06 44.34 57.19 89.06 45.53 55.74 21.74 0.57 2.19 23.26 1.93 1.51 coo 86.70 48.66 52.61 87.15 48.69 50.51 18.61 -1.82 9.54 17.39 -0.53 10.90 coo 95.42 44.52 54.43 93.46 45.31 54.70 24.36 4.80 6.70 24.73 6.38 8.09 1bs4_c01 source 1bs4 PEPTIDE DEFORMYLASE : 3 hits 1bs4_c01 naa= 3 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 # 1 C1050 GLN A 71 GLN~? 1000.00 C1091 LEU A 64 LEU~? 1000.00 C1133 GLU A 75 GLU~? 1000.00 coo 68.29 34.44 43.03 66.67 34.74 44.37 23.90 -0.75 10.16 25.90 -1.43 10.59 coo 65.83 38.95 47.05 65.46 38.90 49.20 21.05 0.76 14.16 21.93 2.47 13.10 coo 63.14 29.39 46.25 63.84 31.31 45.74 24.36 4.80 6.70 24.73 6.38 8.09 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 # 2 C1050 GLN A 71 GLN~? 1000.00 C1091 LEU A 70 LEU~? 1000.00 C1133 GLU A 75 GLU~? 1000.00 coo 68.29 34.44 43.03 66.67 34.74 44.37 23.90 -0.75 10.16 25.90 -1.43 10.59 coo 65.83 38.95 47.05 65.46 38.90 49.20 18.61 -1.82 9.54 17.39 -0.53 10.90 coo 63.14 29.39 46.25 63.84 31.31 45.74 24.36 4.80 6.70 24.73 6.38 8.09 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 3 3 # 3 C1050 GLN A 72 GLN~? 1000.00 C1091 LEU A 70 LEU~? 1000.00 C1133 GLU A 75 GLU~? 1000.00 coo 68.29 34.44 43.03 66.67 34.74 44.37 21.74 0.57 2.19 23.26 1.93 1.51 coo 65.83 38.95 47.05 65.46 38.90 49.20 18.61 -1.82 9.54 17.39 -0.53 10.90 coo 63.14 29.39 46.25 63.84 31.31 45.74 24.36 4.80 6.70 24.73 6.38 8.09 1bs4_c02 source 1bs4 PEPTIDE DEFORMYLASE : 3 hits 1bs4_c02 naa= 3 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 71 GLN~? 1000.00 A 91 LEU A 64 LEU~? 1000.00 A 133 GLU A 75 GLU~? 1000.00 coo 38.23 53.34 67.59 38.84 53.87 69.56 23.90 -0.75 10.16 25.90 -1.43 10.59 coo 35.40 53.22 73.30 35.37 54.87 74.74 21.05 0.76 14.16 21.93 2.47 13.10 coo 45.08 56.04 70.60 43.15 55.19 70.77 24.36 4.80 6.70 24.73 6.38 8.09 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN A 71 GLN~? 1000.00 A 91 LEU A 70 LEU~? 1000.00 A 133 GLU A 75 GLU~? 1000.00 coo 38.23 53.34 67.59 38.84 53.87 69.56 23.90 -0.75 10.16 25.90 -1.43 10.59 coo 35.40 53.22 73.30 35.37 54.87 74.74 18.61 -1.82 9.54 17.39 -0.53 10.90 coo 45.08 56.04 70.60 43.15 55.19 70.77 24.36 4.80 6.70 24.73 6.38 8.09 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 3 3 # 3 A 50 GLN A 72 GLN~? 1000.00 A 91 LEU A 70 LEU~? 1000.00 A 133 GLU A 75 GLU~? 1000.00 coo 38.23 53.34 67.59 38.84 53.87 69.56 21.74 0.57 2.19 23.26 1.93 1.51 coo 35.40 53.22 73.30 35.37 54.87 74.74 18.61 -1.82 9.54 17.39 -0.53 10.90 coo 45.08 56.04 70.60 43.15 55.19 70.77 24.36 4.80 6.70 24.73 6.38 8.09 1bsj_c00 source 1bsj PEPTIDE DEFORMYLASE : 3 hits 1bsj_c00 naa= 3 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 1 3 # 1 A 145 LYS A 28 LYS~? 1000.00 A 177 GLU A 33 GLU~? 1000.00 A 201 LEU A 29 LEU~? 1000.00 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 18.52 33.28 11.19 14.57 36.59 11.03 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 17.46 23.28 8.91 15.90 22.22 7.98 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 18.85 30.41 7.23 17.85 31.53 5.64 1daa_c00 source 1daa D-AMINO ACID AMINOTRANSFERASE : 1 hits 1daa_c00 naa= 3 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 1 3 # 1 B 145 LYS A 28 LYS~? 1000.00 B 177 GLU A 33 GLU~? 1000.00 B 201 LEU A 29 LEU~? 1000.00 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 18.52 33.28 11.19 14.57 36.59 11.03 coo 27.00 6.35 51.01 26.30 4.53 50.18 17.46 23.28 8.91 15.90 22.22 7.98 coo 23.74 1.68 49.50 22.87 -0.24 49.97 18.85 30.41 7.23 17.85 31.53 5.64 1daa_c01 source 1daa D-AMINO ACID AMINOTRANSFERASE : 1 hits 1daa_c01 naa= 3 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 A 57 GLU A 33 GLU~? 1000.00 A 226 THR A 46 THR~? 1000.00 A 229 LYS A 50 LYS~? 1000.00 coo 9.66 102.78 70.07 9.79 101.18 71.42 17.46 23.28 8.91 15.90 22.22 7.98 coo 7.24 97.46 49.60 8.11 95.69 48.80 4.67 12.11 20.54 3.93 14.04 21.19 coo 10.53 97.56 43.71 9.33 93.71 47.17 0.09 8.40 21.26 -4.15 11.42 17.76 1dfo_c04 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 1 hits 1dfo_c04 naa= 3 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 B 57 GLU A 33 GLU~? 1000.00 B 226 THR A 46 THR~? 1000.00 B 229 LYS A 50 LYS~? 1000.00 coo 15.90 87.61 49.61 13.92 86.96 49.36 17.46 23.28 8.91 15.90 22.22 7.98 coo 20.74 95.78 68.68 19.29 96.84 69.83 4.67 12.11 20.54 3.93 14.04 21.19 coo 22.32 101.61 71.64 17.89 98.63 71.55 0.09 8.40 21.26 -4.15 11.42 17.76 1dfo_c05 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 1 hits 1dfo_c05 naa= 3 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 C 57 GLU A 33 GLU~? 1000.00 C 226 THR A 46 THR~? 1000.00 C 229 LYS A 50 LYS~? 1000.00 coo 5.43 40.40 61.63 4.27 41.99 60.90 17.46 23.28 8.91 15.90 22.22 7.98 coo 22.16 45.88 73.63 23.23 47.70 73.25 4.67 12.11 20.54 3.93 14.04 21.19 coo 28.90 45.91 73.55 25.22 49.72 72.97 0.09 8.40 21.26 -4.15 11.42 17.76 1dfo_c06 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 1 hits 1dfo_c06 naa= 3 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 D 57 GLU A 33 GLU~? 1000.00 D 226 THR A 46 THR~? 1000.00 D 229 LYS A 50 LYS~? 1000.00 coo 26.07 55.89 66.14 25.33 56.50 68.01 17.46 23.28 8.91 15.90 22.22 7.98 coo 11.79 47.62 52.67 10.10 46.51 53.39 4.67 12.11 20.54 3.93 14.04 21.19 coo 10.05 41.79 49.80 7.94 44.71 53.76 0.09 8.40 21.26 -4.15 11.42 17.76 1dfo_c07 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 1 hits 1dfo_c07 naa= 3 ULMN 3 1g8o_c01 N-ACETYLLACTOSAMINIDE ALPHA-1,3- GALuser 1 3 # 1 A 314 TRP A 18 TRP~? 1000.00 A 317 GLU A 33 GLU~? 1000.00 A 365 ARG A 77 ARG~? 1000.00 coo 79.91 26.87 38.77 78.95 23.18 37.81 22.56 19.29 7.14 22.18 17.85 10.81 coo 85.55 26.30 41.25 85.59 24.97 39.65 17.46 23.28 8.91 15.90 22.22 7.98 coo 83.47 25.30 27.10 83.44 27.82 25.29 14.20 8.53 6.63 11.86 8.36 4.64 1g8o_c01 source 1g8o N-ACETYLLACTOSAMINIDE ALPHA-1,3- GALACTOSYLTRA: 1 hits 1g8o_c01 naa= 3 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 1 3 # 1 A 14 LYS A 28 LYS~? 1000.00 A 74 LYS A 31 LYS~? 1000.00 A 165 GLU A 39 GLU~? 1000.00 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 18.52 33.28 11.19 14.57 36.59 11.03 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 18.13 28.46 13.76 16.85 32.30 18.62 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 7.49 21.22 15.54 6.62 23.09 15.24 1idt_c00 source 1idt MINOR FMN-DEPENDENT NITROREDUCTASE : 1 hits 1idt_c00 naa= 3 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 A 14 LYS A 28 LYS~? 1000.00 A 74 LYS A 31 LYS~? 1000.00 A 165 GLU A 39 GLU~? 1000.00 coo 24.97 5.82 58.78 26.79 1.97 55.46 18.52 33.28 11.19 14.57 36.59 11.03 coo 19.46 3.44 61.93 23.95 1.12 60.13 18.13 28.46 13.76 16.85 32.30 18.62 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 7.49 21.22 15.54 6.62 23.09 15.24 1kqc_c00 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 1 hits 1kqc_c00 naa= 3 ULMN 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 B 14 LYS A 28 LYS~? 1000.00 B 74 LYS A 31 LYS~? 1000.00 B 165 GLU A 39 GLU~? 1000.00 coo 4.84 5.09 23.75 3.30 1.39 27.48 18.52 33.28 11.19 14.57 36.59 11.03 coo 10.43 2.88 20.75 5.72 0.41 23.95 18.13 28.46 13.76 16.85 32.30 18.62 coo 10.70 -6.39 32.24 9.53 -6.89 33.94 7.49 21.22 15.54 6.62 23.09 15.24 1kqc_c01 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 1 hits 1kqc_c01 naa= 3 ULMN 3 1kqc_c02 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 C 14 LYS A 28 LYS~? 1000.00 C 74 LYS A 31 LYS~? 1000.00 C 165 GLU A 39 GLU~? 1000.00 coo 17.59 37.25 25.80 19.64 34.15 21.60 18.52 33.28 11.19 14.57 36.59 11.03 coo 12.29 34.52 28.11 16.84 32.47 25.43 18.13 28.46 13.76 16.85 32.30 18.62 coo 12.06 27.10 15.56 13.23 27.02 13.80 7.49 21.22 15.54 6.62 23.09 15.24 1kqc_c02 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 1 hits 1kqc_c02 naa= 3 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 D 14 LYS A 28 LYS~? 1000.00 D 74 LYS A 31 LYS~? 1000.00 D 165 GLU A 39 GLU~? 1000.00 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 18.52 33.28 11.19 14.57 36.59 11.03 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 18.13 28.46 13.76 16.85 32.30 18.62 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 7.49 21.22 15.54 6.62 23.09 15.24 1kqc_c03 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 1 hits 1kqc_c03 naa= 3 ULMN 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 1 3 # 1 159 ARG A 36 ARG~? 1000.00 229 SER A 30 SER~? 1000.00 325 GLU A 33 GLU~? 1000.00 coo 2.54 15.84 18.57 3.24 17.85 16.30 11.84 22.16 8.48 13.18 19.49 7.70 coo 10.17 13.48 15.92 9.61 15.76 15.27 20.17 27.77 10.61 22.03 28.84 11.79 coo 5.42 13.04 19.75 5.74 13.81 17.79 17.46 23.28 8.91 15.90 22.22 7.98 ULMN 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 2 3 # 2 159 ARG A 36 ARG~? 1000.00 229 SER A 85 SER~? 1000.00 325 GLU A 33 GLU~? 1000.00 coo 2.54 15.84 18.57 3.24 17.85 16.30 11.84 22.16 8.48 13.18 19.49 7.70 coo 10.17 13.48 15.92 9.61 15.76 15.27 17.85 20.56 5.35 19.00 20.54 7.51 coo 5.42 13.04 19.75 5.74 13.81 17.79 17.46 23.28 8.91 15.90 22.22 7.98 1mbb_c00 source 1mbb URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMI: 2 hits 1mbb_c00 naa= 3 ULMN 3 1muc_c00 MUCONATE LACTONIZING ENZYME user 1 3 # 1 A 167 LYS A 31 LYS~? 1000.00 A 169 LYS A 28 LYS~? 1000.00 A 327 GLU A 33 GLU~? 1000.00 coo 20.73 15.53 25.54 22.09 15.64 19.40 18.13 28.46 13.76 16.85 32.30 18.62 coo 24.31 10.25 23.71 29.02 12.05 20.75 18.52 33.28 11.19 14.57 36.59 11.03 coo 21.86 20.40 18.59 22.12 18.33 18.33 17.46 23.28 8.91 15.90 22.22 7.98 1muc_c00 source 1muc MUCONATE LACTONIZING ENZYME : 1 hits 1muc_c00 naa= 3 ULMN 3 1muc_c01 MUCONATE LACTONIZING ENZYME user 1 3 # 1 B 167 LYS A 31 LYS~? 1000.00 B 169 LYS A 28 LYS~? 1000.00 B 327 GLU A 33 GLU~? 1000.00 coo 25.79 1.90 -25.69 27.00 2.59 -19.56 18.13 28.46 13.76 16.85 32.30 18.62 coo 25.18 8.17 -23.75 30.94 6.65 -21.59 18.52 33.28 11.19 14.57 36.59 11.03 coo 29.96 -1.07 -18.59 28.74 0.63 -18.32 17.46 23.28 8.91 15.90 22.22 7.98 1muc_c01 source 1muc MUCONATE LACTONIZING ENZYME : 1 hits 1muc_c01 naa= 3 ULMN 3 1myr_c00 MYROSINASE user 1 3 # 1 187 GLN A 84 GLN~? 1000.00 328 ASN A 88 ASN~? 1000.00 409 GLU A 33 GLU~? 1000.00 coo 45.09 114.33 52.30 45.59 116.18 51.29 13.78 18.74 3.35 12.92 19.31 1.50 coo 41.10 116.46 52.80 42.09 116.00 54.64 15.35 24.13 4.49 13.65 22.86 4.27 coo 42.69 118.64 56.27 44.58 118.34 55.45 17.46 23.28 8.91 15.90 22.22 7.98 1myr_c00 source 1myr MYROSINASE : 1 hits 1myr_c00 naa= 3 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 A 70 ALA A 25 ALA~? 1000.00 A 126 LEU A 29 LEU~? 1000.00 A 158 GLU A 33 GLU~? 1000.00 coo -2.29 37.66 144.73 -1.46 37.12 145.87 24.66 29.89 7.01 23.46 28.95 7.01 coo -4.62 32.83 147.14 -5.50 32.85 149.12 18.85 30.41 7.23 17.85 31.53 5.64 coo -0.83 29.57 149.77 -0.39 31.47 148.95 17.46 23.28 8.91 15.90 22.22 7.98 1pjh_c00 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 1 hits 1pjh_c00 naa= 3 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 B 70 ALA A 25 ALA~? 1000.00 B 126 LEU A 29 LEU~? 1000.00 B 158 GLU A 33 GLU~? 1000.00 coo -39.79 4.61 147.27 -39.61 5.56 148.47 24.66 29.89 7.01 23.46 28.95 7.01 coo -34.22 5.06 149.25 -33.65 4.24 151.15 18.85 30.41 7.23 17.85 31.53 5.64 coo -33.03 9.93 151.71 -34.98 9.38 151.11 17.46 23.28 8.91 15.90 22.22 7.98 1pjh_c01 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 1 hits 1pjh_c01 naa= 3 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 C 70 ALA A 25 ALA~? 1000.00 C 126 LEU A 29 LEU~? 1000.00 C 158 GLU A 33 GLU~? 1000.00 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 24.66 29.89 7.01 23.46 28.95 7.01 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 18.85 30.41 7.23 17.85 31.53 5.64 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 17.46 23.28 8.91 15.90 22.22 7.98 1pjh_c02 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 1 hits 1pjh_c02 naa= 3 ULMN 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 # 1 B 1 SER A 85 SER~? 1000.00 B 69 ALA A 87 ALA~? 1000.00 B 241 ASN A 88 ASN~? 1000.00 coo 13.24 41.94 33.13 13.08 39.54 33.17 17.85 20.56 5.35 19.00 20.54 7.51 coo 9.15 37.89 36.69 10.55 37.76 37.22 17.89 22.91 0.47 16.96 21.92 -0.20 coo 10.91 43.03 38.47 11.81 41.82 36.93 15.35 24.13 4.49 13.65 22.86 4.27 ULMN 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 # 2 B 1 SER A 91 SER~? 1000.00 B 69 ALA A 87 ALA~? 1000.00 B 241 ASN A 88 ASN~? 1000.00 coo 13.24 41.94 33.13 13.08 39.54 33.17 16.17 28.41 -0.26 13.99 27.72 0.59 coo 9.15 37.89 36.69 10.55 37.76 37.22 17.89 22.91 0.47 16.96 21.92 -0.20 coo 10.91 43.03 38.47 11.81 41.82 36.93 15.35 24.13 4.49 13.65 22.86 4.27 1pnl_c00 source 1pnl PENICILLIN AMIDOHYDROLASE : 2 hits 1pnl_c00 naa= 3 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 # 1 A 67 ASP A 67 ASP~? 1000.00 A 68 ALA A 63 ALA~? 1000.00 A 72 LEU A 64 LEU~? 1000.00 coo 46.76 7.59 18.65 45.27 6.01 18.52 20.37 -5.05 11.10 19.15 -5.69 9.45 coo 48.88 4.35 16.59 48.73 5.09 15.20 19.20 -3.66 15.26 18.04 -3.90 14.29 coo 53.89 6.25 15.09 52.88 7.92 14.14 21.05 0.76 14.16 21.93 2.47 13.10 1q6l_c05 source 1q6l 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE : 1 hits 1q6l_c05 naa= 3 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 A 51 ALA A 25 ALA~? 1000.00 A 148 HIS A 24 HIS~? 1000.00 A 163 ASP A 20 ASP~? 1000.00 coo 1.42 19.18 21.84 1.11 19.57 23.28 24.66 29.89 7.01 23.46 28.95 7.01 coo 0.71 19.67 27.92 2.43 19.16 26.83 30.46 27.80 7.66 32.02 26.80 8.64 coo 7.15 16.22 27.50 6.15 18.00 27.94 30.12 22.78 5.92 32.01 21.81 6.21 1qol_c00 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c00 naa= 3 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 C 51 ALA A 25 ALA~? 1000.00 C 148 HIS A 24 HIS~? 1000.00 C 163 ASP A 20 ASP~? 1000.00 coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 24.66 29.89 7.01 23.46 28.95 7.01 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 30.46 27.80 7.66 32.02 26.80 8.64 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 30.12 22.78 5.92 32.01 21.81 6.21 1qol_c02 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c02 naa= 3 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 D 51 ALA A 25 ALA~? 1000.00 D 148 HIS A 24 HIS~? 1000.00 D 163 ASP A 20 ASP~? 1000.00 coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 24.66 29.89 7.01 23.46 28.95 7.01 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 30.46 27.80 7.66 32.02 26.80 8.64 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 30.12 22.78 5.92 32.01 21.81 6.21 1qol_c03 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c03 naa= 3 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 E 51 ALA A 25 ALA~? 1000.00 E 148 HIS A 24 HIS~? 1000.00 E 163 ASP A 20 ASP~? 1000.00 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 24.66 29.89 7.01 23.46 28.95 7.01 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 30.46 27.80 7.66 32.02 26.80 8.64 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 30.12 22.78 5.92 32.01 21.81 6.21 1qol_c04 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c04 naa= 3 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 G 51 ALA A 25 ALA~? 1000.00 G 148 HIS A 24 HIS~? 1000.00 G 163 ASP A 20 ASP~? 1000.00 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 24.66 29.89 7.01 23.46 28.95 7.01 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 30.46 27.80 7.66 32.02 26.80 8.64 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 30.12 22.78 5.92 32.01 21.81 6.21 1qol_c06 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c06 naa= 3 ULMN 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 1 3 # 1 A 104 ILE A 22 ILE~? 1000.00 A 106 HIS A 24 HIS~? 1000.00 A 142 ASP A 20 ASP~? 1000.00 coo -15.54 60.72 29.56 -16.71 61.53 30.10 24.25 23.52 10.26 22.85 23.61 10.72 coo -17.00 64.03 23.46 -18.21 65.65 22.90 30.46 27.80 7.66 32.02 26.80 8.64 coo -17.05 67.91 26.85 -18.66 66.47 26.76 30.12 22.78 5.92 32.01 21.81 6.21 1s3i_c00 source 1s3i 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE : 1 hits 1s3i_c00 naa= 3 ULMN 3 1uk7_c00 3.07.01.0009 user 1 3 # 1 A 103 ALA A 25 ALA~? 1000.00 A 224 ASP A 20 ASP~? 1000.00 A 252 HIS A 24 HIS~? 1000.00 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 24.66 29.89 7.01 23.46 28.95 7.01 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 30.12 22.78 5.92 32.01 21.81 6.21 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 30.46 27.80 7.66 32.02 26.80 8.64 1uk7_c00 source 1uk7 3.07.01.0009 : 1 hits 1uk7_c00 naa= 3 ULMN 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 1 3 # 1 A 85 GLU A 51 GLU~? 1000.00 A 87 ASP A 52 ASP.? 1000.00 A 89 GLU A 54 GLU~? 1000.00 coo 22.84 137.30 -8.23 24.70 136.75 -9.08 -0.18 4.44 16.76 -2.11 5.26 16.37 coo 25.07 140.95 -5.73 24.98 139.34 -7.10 0.50 2.21 22.71 -0.67 3.19 24.18 coo 29.50 140.95 -4.45 30.03 140.88 -6.51 6.53 4.52 23.75 4.67 4.06 24.64 ULMN 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 2 3 # 2 A 85 GLU A 54 GLU~? 1000.00 A 87 ASP A 52 ASP.? 1000.00 A 89 GLU A 51 GLU~? 1000.00 coo 22.84 137.30 -8.23 24.70 136.75 -9.08 6.53 4.52 23.75 4.67 4.06 24.64 coo 25.07 140.95 -5.73 24.98 139.34 -7.10 0.50 2.21 22.71 -0.67 3.19 24.18 coo 29.50 140.95 -4.45 30.03 140.88 -6.51 -0.18 4.44 16.76 -2.11 5.26 16.37 1un1_c00 source 1un1 XYLOGLUCAN ENDOTRANSGLYCOSYLASE : 2 hits 1un1_c00 naa= 3 ULMN 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 1 3 # 1 B 85 GLU A 54 GLU~? 1000.00 B 87 ASP A 52 ASP.? 1000.00 B 89 GLU A 51 GLU~? 1000.00 coo 19.32 178.30 3.72 20.56 176.87 2.77 6.53 4.52 23.75 4.67 4.06 24.64 coo 22.91 179.81 6.56 22.10 178.65 5.00 0.50 2.21 22.71 -0.67 3.19 24.18 coo 26.74 177.55 7.48 27.16 177.47 5.41 -0.18 4.44 16.76 -2.11 5.26 16.37 1un1_c01 source 1un1 XYLOGLUCAN ENDOTRANSGLYCOSYLASE : 1 hits 1un1_c01 naa= 3 ULMN 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 # 1 A 105 ALA A 25 ALA~? 1000.00 A 244 ASP A 20 ASP~? 1000.00 A 271 HIS A 24 HIS~? 1000.00 coo 15.05 3.71 6.93 14.58 4.88 7.78 24.66 29.89 7.01 23.46 28.95 7.01 coo 9.85 8.15 0.76 10.61 7.04 2.39 30.12 22.78 5.92 32.01 21.81 6.21 coo 10.61 7.65 6.01 12.39 6.55 6.23 30.46 27.80 7.66 32.02 26.80 8.64 1xqw_c00 source 1xqw PROLINE IMINOPEPTIDASE : 1 hits 1xqw_c00 naa= 3 ULMN 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 A 14 LYS A 28 LYS~? 1000.00 A 74 LYS A 31 LYS~? 1000.00 A 165 GLU A 39 GLU~? 1000.00 coo 18.28 7.83 36.39 22.82 8.75 39.52 18.52 33.28 11.19 14.57 36.59 11.03 coo 14.16 13.09 37.03 20.00 12.44 37.49 18.13 28.46 13.76 16.85 32.30 18.62 coo 22.22 16.06 48.76 23.94 15.33 49.78 7.49 21.22 15.54 6.62 23.09 15.24 1ylu_c00 source 1ylu OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 1 hits 1ylu_c00 naa= 3 ULMN 3 1ylu_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 B 14 LYS A 28 LYS~? 1000.00 B 74 LYS A 31 LYS~? 1000.00 B 165 GLU A 39 GLU~? 1000.00 coo 13.51 0.92 76.10 12.98 6.13 74.68 18.52 33.28 11.19 14.57 36.59 11.03 coo 19.89 -0.55 76.51 17.10 4.32 77.43 18.13 28.46 13.76 16.85 32.30 18.62 coo 21.39 11.56 68.52 20.24 13.13 67.73 7.49 21.22 15.54 6.62 23.09 15.24 1ylu_c01 source 1ylu OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 1 hits 1ylu_c01 naa= 3 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 # 1 B 46 HIS A 24 HIS~? 1000.00 B 163 ALA A 25 ALA~? 1000.00 B 182 SER A 26 SER~? 1000.00 coo 30.42 1.98 4.36 29.07 0.41 4.68 30.46 27.80 7.66 32.02 26.80 8.64 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 24.66 29.89 7.01 23.46 28.95 7.01 coo 24.00 -0.17 2.07 24.51 1.00 0.04 23.14 33.05 8.52 20.88 33.37 7.70 2bhg_c02 source 2bhg FOOT-AND-MOUTH DISEASE VIRUS 3C PROTEASE : 1 hits 2bhg_c02 naa= 3 ULMN 3 2dbt_c01 CHITINASE C user 1 3 # 1 B 147 GLU A 35 GLU~? 1000.00 B 156 GLU A 39 GLU~? 1000.00 B 194 ASN A 88 ASN~? 1000.00 coo 45.64 63.11 17.20 47.48 62.43 16.45 14.32 26.50 16.55 13.72 28.45 17.04 coo 54.43 67.89 19.82 55.62 67.90 18.07 7.49 21.22 15.54 6.62 23.09 15.24 coo 49.79 70.75 7.78 50.10 68.90 6.86 15.35 24.13 4.49 13.65 22.86 4.27 ULMN 3 2dbt_c01 CHITINASE C user 2 3 # 2 B 147 GLU A 39 GLU~? 1000.00 B 156 GLU A 35 GLU~? 1000.00 B 194 ASN A 88 ASN~? 1000.00 coo 45.64 63.11 17.20 47.48 62.43 16.45 7.49 21.22 15.54 6.62 23.09 15.24 coo 54.43 67.89 19.82 55.62 67.90 18.07 14.32 26.50 16.55 13.72 28.45 17.04 coo 49.79 70.75 7.78 50.10 68.90 6.86 15.35 24.13 4.49 13.65 22.86 4.27 2dbt_c01 source 2dbt CHITINASE C : 2 hits 2dbt_c01 naa= 3 ULMN 3 2dbt_c02 CHITINASE C user 1 3 # 1 C 147 GLU A 35 GLU~? 1000.00 C 156 GLU A 39 GLU~? 1000.00 C 194 ASN A 88 ASN~? 1000.00 coo 41.23 29.31 13.28 43.03 29.85 12.29 14.32 26.50 16.55 13.72 28.45 17.04 coo 44.75 23.09 5.51 46.77 22.91 6.12 7.49 21.22 15.54 6.62 23.09 15.24 coo 49.75 21.00 18.12 50.45 23.02 18.26 15.35 24.13 4.49 13.65 22.86 4.27 ULMN 3 2dbt_c02 CHITINASE C user 2 3 # 2 C 147 GLU A 39 GLU~? 1000.00 C 156 GLU A 35 GLU~? 1000.00 C 194 ASN A 88 ASN~? 1000.00 coo 41.23 29.31 13.28 43.03 29.85 12.29 7.49 21.22 15.54 6.62 23.09 15.24 coo 44.75 23.09 5.51 46.77 22.91 6.12 14.32 26.50 16.55 13.72 28.45 17.04 coo 49.75 21.00 18.12 50.45 23.02 18.26 15.35 24.13 4.49 13.65 22.86 4.27 2dbt_c02 source 2dbt CHITINASE C : 2 hits 2dbt_c02 naa= 3 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 1 3 # 1 B 182 LYS A 31 LYS~? 1000.00 B 184 LYS A 28 LYS~? 1000.00 B 345 ASP A 20 ASP~? 1000.00 coo 38.76 2.27 4.00 34.00 5.99 4.37 18.13 28.46 13.76 16.85 32.30 18.62 coo 40.63 7.13 9.06 35.85 7.36 8.95 18.52 33.28 11.19 14.57 36.59 11.03 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 30.12 22.78 5.92 32.01 21.81 6.21 2dw7_c33 source 2dw7 BLL6730 PROTEIN : 1 hits 2dw7_c33 naa= 3 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 1 3 # 1 L 182 LYS A 31 LYS~? 1000.00 L 184 LYS A 28 LYS~? 1000.00 L 345 ASP A 20 ASP~? 1000.00 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 18.13 28.46 13.76 16.85 32.30 18.62 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 18.52 33.28 11.19 14.57 36.59 11.03 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 30.12 22.78 5.92 32.01 21.81 6.21 2dw7_c43 source 2dw7 BLL6730 PROTEIN : 1 hits 2dw7_c43 naa= 3 ULMN 3 2dw7_c44 BLL6730 PROTEIN user 1 3 # 1 M 182 LYS A 31 LYS~? 1000.00 M 184 LYS A 28 LYS~? 1000.00 M 345 ASP A 20 ASP~? 1000.00 coo -16.84 -32.78 53.48 -13.51 -32.22 58.34 18.13 28.46 13.76 16.85 32.30 18.62 coo -11.12 -36.54 51.97 -12.06 -36.49 56.95 18.52 33.28 11.19 14.57 36.59 11.03 coo -23.86 -43.59 58.54 -23.60 -42.14 57.00 30.12 22.78 5.92 32.01 21.81 6.21 2dw7_c44 source 2dw7 BLL6730 PROTEIN : 1 hits 2dw7_c44 naa= 3 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 1 3 # 1 P 182 LYS A 31 LYS~? 1000.00 P 184 LYS A 28 LYS~? 1000.00 P 345 ASP A 20 ASP~? 1000.00 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 18.13 28.46 13.76 16.85 32.30 18.62 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 18.52 33.28 11.19 14.57 36.59 11.03 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 30.12 22.78 5.92 32.01 21.81 6.21 2dw7_c47 source 2dw7 BLL6730 PROTEIN : 1 hits 2dw7_c47 naa= 3 ULMN 3 2tps_c00 THIAMIN PHOSPHATE SYNTHASE user 1 3 # 1 A 59 ARG A 36 ARG~? 1000.00 A 130 SER A 91 SER~? 1000.00 A 159 LYS A 32 LYS~? 1000.00 coo 18.35 45.84 20.99 16.20 47.83 21.89 11.84 22.16 8.48 13.18 19.49 7.70 coo 15.14 43.67 10.77 15.61 44.43 13.04 16.17 28.41 -0.26 13.99 27.72 0.59 coo 11.57 48.49 22.18 13.51 49.99 17.21 14.87 28.16 11.86 11.66 30.03 6.64 2tps_c00 source 2tps THIAMIN PHOSPHATE SYNTHASE : 1 hits 2tps_c00 naa= 3 ULMN 3 2tps_c01 THIAMIN PHOSPHATE SYNTHASE user 1 3 # 1 B 59 ARG A 36 ARG~? 1000.00 B 130 SER A 91 SER~? 1000.00 B 159 LYS A 32 LYS~? 1000.00 coo 58.72 31.58 20.45 60.80 29.39 20.94 11.84 22.16 8.48 13.18 19.49 7.70 coo 61.66 35.17 10.39 61.29 34.14 12.56 16.17 28.41 -0.26 13.99 27.72 0.59 coo 65.38 28.77 21.17 63.49 28.03 16.12 14.87 28.16 11.86 11.66 30.03 6.64 2tps_c01 source 2tps THIAMIN PHOSPHATE SYNTHASE : 1 hits 2tps_c01 naa= 3 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 1 1 # 1 A 461 ASN A 13 ASN~? 1000.00 coo 5.80 63.03 55.85 5.52 65.03 56.45 32.10 13.26 2.68 32.20 14.99 1.45 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 2 1 # 2 A 461 ASN A 19 ASN~? 1000.00 coo 5.80 63.03 55.85 5.52 65.03 56.45 28.65 19.88 10.21 29.39 20.87 11.92 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 3 1 # 3 A 461 ASN A 88 ASN~? 1000.00 coo 5.80 63.03 55.85 5.52 65.03 56.45 15.35 24.13 4.49 13.65 22.86 4.27 1kbk_p00 source 1kbk ALPHA-AMYLASE, PANCREATIC : 3 hits 1kbk_p00 naa= 1 ULMN 3 2ky8_d00 TRANSCRIPTION/DNA user 1 3 # 1 A 24 ARG A 77 ARG~? 1000.00 A 32 LYS A 78 LYS~? 1000.00 A 46 ARG A 36 ARG~? 1000.00 coo -8.00 4.27 27.74 -7.09 2.66 30.09 14.20 8.53 6.63 11.86 8.36 4.64 coo -5.15 8.65 26.69 -4.26 5.48 32.02 19.97 10.52 6.86 24.08 8.49 10.76 coo -0.17 -5.20 27.14 -1.15 -5.34 29.97 11.84 22.16 8.48 13.18 19.49 7.70 2ky8_d00 source 2ky8 TRANSCRIPTION/DNA : 1 hits 2ky8_d00 naa= 3 ULMN 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 # 1 B 34 SER A 91 SER~? 1000.00 B 37 ASN A 88 ASN~? 1000.00 B 45 THR A 79 THR~? 1000.00 coo -19.49 41.97 71.08 -17.37 40.80 71.17 16.17 28.41 -0.26 13.99 27.72 0.59 coo -23.05 39.62 69.74 -22.86 39.59 67.61 15.35 24.13 4.49 13.65 22.86 4.27 coo -30.87 34.84 80.57 -28.94 34.51 81.49 21.36 11.84 3.55 22.49 10.27 2.58 2z3x_d00 source 2z3x DNA BINDING PROTEIN/DNA : 1 hits 2z3x_d00 naa= 3 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 20 ASP~? 1000.00 A 86 HIS A 24 HIS~? 1000.00 A 250 ALA A 25 ALA~? 1000.00 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 30.12 22.78 5.92 32.01 21.81 6.21 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 30.46 27.80 7.66 32.02 26.80 8.64 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 24.66 29.89 7.01 23.46 28.95 7.01 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 1 hits 2wwt_o00 naa= 3 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 B 49 ASP A 20 ASP~? 1000.00 B 86 HIS A 24 HIS~? 1000.00 B 250 ALA A 25 ALA~? 1000.00 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 30.12 22.78 5.92 32.01 21.81 6.21 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 30.46 27.80 7.66 32.02 26.80 8.64 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 24.66 29.89 7.01 23.46 28.95 7.01 2wwt_o01 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 1 hits 2wwt_o01 naa= 3 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 C 49 ASP A 20 ASP~? 1000.00 C 86 HIS A 24 HIS~? 1000.00 C 250 ALA A 25 ALA~? 1000.00 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 30.12 22.78 5.92 32.01 21.81 6.21 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 30.46 27.80 7.66 32.02 26.80 8.64 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 24.66 29.89 7.01 23.46 28.95 7.01 2wwt_o02 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 1 hits 2wwt_o02 naa= 3 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 D 49 ASP A 20 ASP~? 1000.00 D 86 HIS A 24 HIS~? 1000.00 D 250 ALA A 25 ALA~? 1000.00 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 30.12 22.78 5.92 32.01 21.81 6.21 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 30.46 27.80 7.66 32.02 26.80 8.64 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 24.66 29.89 7.01 23.46 28.95 7.01 2wwt_o03 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 1 hits 2wwt_o03 naa= 3 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 E 49 ASP A 20 ASP~? 1000.00 E 86 HIS A 24 HIS~? 1000.00 E 250 ALA A 25 ALA~? 1000.00 coo -36.18 24.97 18.78 -36.93 26.11 17.11 30.12 22.78 5.92 32.01 21.81 6.21 coo -36.85 29.32 15.06 -38.90 29.14 15.48 30.46 27.80 7.66 32.02 26.80 8.64 coo -44.49 29.68 13.98 -43.47 28.67 13.52 24.66 29.89 7.01 23.46 28.95 7.01 2wwt_o04 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 1 hits 2wwt_o04 naa= 3 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 F 49 ASP A 20 ASP~? 1000.00 F 86 HIS A 24 HIS~? 1000.00 F 250 ALA A 25 ALA~? 1000.00 coo -82.12 8.55 35.60 -81.93 9.84 37.19 30.12 22.78 5.92 32.01 21.81 6.21 coo -84.21 11.81 39.90 -82.43 12.70 39.26 30.46 27.80 7.66 32.02 26.80 8.64 coo -78.49 17.13 41.31 -79.25 15.85 41.61 24.66 29.89 7.01 23.46 28.95 7.01 2wwt_o05 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 1 hits 2wwt_o05 naa= 3 ULMN 3 3hde_o00 LYSOZYME user 1 3 # 1 A 35 GLU A 75 GLU~? 1000.00 A 44 ASP A 80 ASP~? 1000.00 A 50 THR A 79 THR~? 1000.00 coo 3.19 -22.62 -21.80 4.26 -21.93 -23.46 24.36 4.80 6.70 24.73 6.38 8.09 coo -3.28 -18.53 -28.91 -2.33 -19.01 -30.75 16.72 11.48 2.22 17.01 10.09 0.70 coo -4.91 -24.14 -27.53 -3.37 -22.71 -27.06 21.36 11.84 3.55 22.49 10.27 2.58 3hde_o00 source 3HDE LYSOZYME : 1 hits 3hde_o00 naa= 3 ULMN 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 # 1 A 220 HIS A 24 HIS~? 1000.00 A 250 ASP A 20 ASP~? 1000.00 A 328 SER A 26 SER~? 1000.00 coo -31.63 42.33 -9.10 -32.09 43.47 -7.39 30.46 27.80 7.66 32.02 26.80 8.64 coo -28.83 47.26 -8.07 -29.71 45.89 -9.37 30.12 22.78 5.92 32.01 21.81 6.21 coo -31.38 44.75 -19.08 -33.61 43.88 -19.06 23.14 33.05 8.52 20.88 33.37 7.70 ULMN 3 3nwu_o00 SERINE PROTEASE HTRA1 user 2 3 # 2 A 220 HIS A 24 HIS~? 1000.00 A 250 ASP A 20 ASP~? 1000.00 A 328 SER A 30 SER~? 1000.00 coo -31.63 42.33 -9.10 -32.09 43.47 -7.39 30.46 27.80 7.66 32.02 26.80 8.64 coo -28.83 47.26 -8.07 -29.71 45.89 -9.37 30.12 22.78 5.92 32.01 21.81 6.21 coo -31.38 44.75 -19.08 -33.61 43.88 -19.06 20.17 27.77 10.61 22.03 28.84 11.79 3nwu_o00 source 3NWU SERINE PROTEASE HTRA1 : 2 hits 3nwu_o00 naa= 3 ULMN 3 3nwu_o01 SERINE PROTEASE HTRA1 user 1 3 # 1 B 220 HIS A 24 HIS~? 1000.00 B 250 ASP A 20 ASP~? 1000.00 B 328 SER A 26 SER~? 1000.00 coo -60.95 64.74 -17.31 -62.53 64.43 -18.66 30.46 27.80 7.66 32.02 26.80 8.64 coo -61.22 67.85 -22.15 -60.12 66.82 -20.67 30.12 22.78 5.92 32.01 21.81 6.21 coo -50.80 64.58 -18.50 -51.05 62.31 -17.80 23.14 33.05 8.52 20.88 33.37 7.70 ULMN 3 3nwu_o01 SERINE PROTEASE HTRA1 user 2 3 # 2 B 220 HIS A 24 HIS~? 1000.00 B 250 ASP A 20 ASP~? 1000.00 B 328 SER A 30 SER~? 1000.00 coo -60.95 64.74 -17.31 -62.53 64.43 -18.66 30.46 27.80 7.66 32.02 26.80 8.64 coo -61.22 67.85 -22.15 -60.12 66.82 -20.67 30.12 22.78 5.92 32.01 21.81 6.21 coo -50.80 64.58 -18.50 -51.05 62.31 -17.80 20.17 27.77 10.61 22.03 28.84 11.79 3nwu_o01 source 3NWU SERINE PROTEASE HTRA1 : 2 hits 3nwu_o01 naa= 3 ULMN 3 3nwu_o02 SERINE PROTEASE HTRA1 user 1 3 # 1 C 220 HIS A 24 HIS~? 1000.00 C 250 ASP A 20 ASP~? 1000.00 C 328 SER A 26 SER~? 1000.00 coo -51.93 36.48 -40.55 -50.74 34.79 -40.19 30.46 27.80 7.66 32.02 26.80 8.64 coo -46.79 36.05 -43.01 -48.32 37.22 -42.10 30.12 22.78 5.92 32.01 21.81 6.21 coo -50.01 46.48 -39.48 -50.98 46.14 -37.32 23.14 33.05 8.52 20.88 33.37 7.70 ULMN 3 3nwu_o02 SERINE PROTEASE HTRA1 user 2 3 # 2 C 220 HIS A 24 HIS~? 1000.00 C 250 ASP A 20 ASP~? 1000.00 C 328 SER A 30 SER~? 1000.00 coo -51.93 36.48 -40.55 -50.74 34.79 -40.19 30.46 27.80 7.66 32.02 26.80 8.64 coo -46.79 36.05 -43.01 -48.32 37.22 -42.10 30.12 22.78 5.92 32.01 21.81 6.21 coo -50.01 46.48 -39.48 -50.98 46.14 -37.32 20.17 27.77 10.61 22.03 28.84 11.79 3nwu_o02 source 3NWU SERINE PROTEASE HTRA1 : 2 hits 3nwu_o02 naa= 3