*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMN 4 1dbt_c03 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 1 4 # 1 B 33 LYS A 105 LYS~? -3.87 O1 FMT A 170s B 60 ASP A 101 ASP.? 5.83 C FMT A 170 B 62 LYS A 98 LYS^? 12.14 C FMT A 170 B 65 ASP A 122 ASP.? 16.39 O1 SO4 A 164 coo 60.66 73.37 6.16 58.97 68.44 6.56 9.66 1.85 11.67 14.40 3.43 7.95 coo 58.78 69.55 10.14 57.19 68.14 10.07 9.46 3.66 5.98 11.50 4.16 5.68 coo 57.51 66.37 15.65 56.43 65.69 10.35 9.85 7.22 2.90 12.66 6.01 -1.27 coo 59.76 62.84 24.35 61.26 61.55 25.03 13.07 13.18 -5.76 13.39 11.80 -7.34 1dbt_c03 source 1dbt OROTIDINE 5'-PHOSPHATE DECARBOXYLASE : 1 hits 1dbt_c03 naa= 4 ULMN 4 1ec9_c08 GLUCARATE DEHYDRATASE user 1 4 # 1 A 207 LYS A 91 LYS.? -6.06 O3 SO4 A 161s A 313 ASP A 52 ASP.? -7.45 O2 FMT A 169s A 339 HIS A 58 HIS^? -9.47 O2 FMT A 169s A 373 GLU A 34 GLU~? 7.41 O4 SO4 A 162 coo -20.91 -23.36 1.14 -20.26 -20.07 -2.33 13.17 22.78 13.04 11.93 19.02 17.78 coo -13.77 -18.44 -12.02 -15.08 -19.60 -13.14 12.19 24.63 -1.44 12.46 22.76 -2.35 coo -15.84 -18.80 -8.52 -17.83 -18.60 -9.07 13.73 23.52 2.79 14.82 24.01 1.06 coo -18.40 -37.63 -11.89 -18.73 -39.61 -11.35 0.55 38.06 10.96 0.19 40.13 10.71 1ec9_c08 source 1ec9 GLUCARATE DEHYDRATASE : 1 hits 1ec9_c08 naa= 4 ULMN 4 1eix_c04 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 # 1 A 44 LYS A 105 LYS~? -3.87 O1 FMT A 170s A 71 ASP A 101 ASP.? 5.83 C FMT A 170 A 73 LYS A 98 LYS^? 12.14 C FMT A 170 A 76 ASP A 122 ASP.? 16.39 O1 SO4 A 164 coo 19.59 28.23 101.92 19.95 24.94 105.61 9.66 1.85 11.67 14.40 3.43 7.95 coo 23.19 26.70 106.03 22.83 25.75 107.86 9.46 3.66 5.98 11.50 4.16 5.68 coo 27.86 26.05 110.45 22.68 24.67 109.97 9.85 7.22 2.90 12.66 6.01 -1.27 coo 36.95 24.59 112.32 38.04 22.87 111.77 13.07 13.18 -5.76 13.39 11.80 -7.34 1eix_c04 source 1eix OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE : 1 hits 1eix_c04 naa= 4 ULMN 4 1eix_c05 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 # 1 B 44 LYS A 105 LYS~? -3.87 O1 FMT A 170s B 71 ASP A 101 ASP.? 5.83 C FMT A 170 B 73 LYS A 98 LYS^? 12.14 C FMT A 170 B 76 ASP A 122 ASP.? 16.39 O1 SO4 A 164 coo 42.51 16.13 104.66 41.59 19.58 107.89 9.66 1.85 11.67 14.40 3.43 7.95 coo 38.06 17.61 107.95 37.94 18.87 109.63 9.46 3.66 5.98 11.50 4.16 5.68 coo 32.65 18.53 110.98 37.67 20.13 111.67 9.85 7.22 2.90 12.66 6.01 -1.27 coo 23.32 19.98 111.00 22.38 21.72 110.29 13.07 13.18 -5.76 13.39 11.80 -7.34 1eix_c05 source 1eix OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE : 1 hits 1eix_c05 naa= 4 ULMN 4 1eix_c06 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 # 1 C 44 LYS A 105 LYS~? -3.87 O1 FMT A 170s C 71 ASP A 101 ASP.? 5.83 C FMT A 170 C 73 LYS A 98 LYS^? 12.14 C FMT A 170 C 76 ASP A 122 ASP.? 16.39 O1 SO4 A 164 coo 36.80 44.62 62.45 37.50 45.99 67.26 9.66 1.85 11.67 14.40 3.43 7.95 coo 41.24 46.44 65.36 41.30 47.43 67.22 9.46 3.66 5.98 11.50 4.16 5.68 coo 46.67 48.87 67.69 41.63 48.86 69.39 9.85 7.22 2.90 12.66 6.01 -1.27 coo 56.00 48.26 68.98 57.09 46.84 70.05 13.07 13.18 -5.76 13.39 11.80 -7.34 1eix_c06 source 1eix OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE : 1 hits 1eix_c06 naa= 4 ULMN 4 1eix_c07 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 # 1 D 44 LYS A 105 LYS~? -3.87 O1 FMT A 170s D 71 ASP A 101 ASP.? 5.83 C FMT A 170 D 73 LYS A 98 LYS^? 12.14 C FMT A 170 D 76 ASP A 122 ASP.? 16.39 O1 SO4 A 164 coo 59.78 36.42 71.82 59.95 40.97 70.58 9.66 1.85 11.67 14.40 3.43 7.95 coo 56.16 40.71 72.48 56.48 42.77 72.42 9.46 3.66 5.98 11.50 4.16 5.68 coo 51.52 44.76 73.92 56.76 45.26 72.14 9.85 7.22 2.90 12.66 6.01 -1.27 coo 42.33 47.14 73.59 41.23 47.55 71.88 13.07 13.18 -5.76 13.39 11.80 -7.34 1eix_c07 source 1eix OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE : 1 hits 1eix_c07 naa= 4 ULMN 4 1ndi_c01 CARNITINE ACETYLTRANSFERASE user 1 4 # 1 B 107 TYR A 55 TYR.? 4.62 O1 SO4 A 164s B 120 PRO A 49 PRO^? 9.02 O3 SO4 A 164 B 343 HIS A 26 HIS.? 4.71 C FMT A 169s B 554 SER A 43 SER~? -5.81 O1 FMT A 167s coo 15.02 7.90 51.71 16.81 6.43 50.15 5.35 19.99 -2.93 3.01 19.65 -1.51 coo 13.95 0.03 46.25 11.84 -0.50 46.11 4.22 20.47 5.34 5.29 21.42 7.14 coo 15.05 2.97 49.11 16.83 2.62 48.07 2.72 23.95 1.81 2.02 24.34 -0.13 coo 21.79 0.25 40.42 20.02 -0.06 42.06 -5.69 24.75 9.33 -3.38 24.15 9.72 1ndi_c01 source 1ndi CARNITINE ACETYLTRANSFERASE : 1 hits 1ndi_c01 naa= 4 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 1 3 # 1 A 115 TYR A 55 TYR.? 4.62 O1 SO4 A 164s A 125 HIS A 26 HIS.? 4.71 C FMT A 169s A 156 LYS A 23 LYS~? 7.94 O2 SO4 A 163 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 5.35 19.99 -2.93 3.01 19.65 -1.51 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 2.72 23.95 1.81 2.02 24.34 -0.13 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 -4.71 17.76 2.76 -7.88 12.28 2.59 1a79_c00 source 1a79 TRNA ENDONUCLEASE : 1 hits 1a79_c00 naa= 3 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 1 3 # 1 B 115 TYR A 55 TYR.? 4.62 O1 SO4 A 164s B 125 HIS A 26 HIS.? 4.71 C FMT A 169s B 156 LYS A 23 LYS~? 7.94 O2 SO4 A 163 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 5.35 19.99 -2.93 3.01 19.65 -1.51 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 2.72 23.95 1.81 2.02 24.34 -0.13 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 -4.71 17.76 2.76 -7.88 12.28 2.59 1a79_c01 source 1a79 TRNA ENDONUCLEASE : 1 hits 1a79_c01 naa= 3 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 1 3 # 1 C 115 TYR A 55 TYR.? 4.62 O1 SO4 A 164s C 125 HIS A 26 HIS.? 4.71 C FMT A 169s C 156 LYS A 23 LYS~? 7.94 O2 SO4 A 163 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 5.35 19.99 -2.93 3.01 19.65 -1.51 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 2.72 23.95 1.81 2.02 24.34 -0.13 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 -4.71 17.76 2.76 -7.88 12.28 2.59 1a79_c02 source 1a79 TRNA ENDONUCLEASE : 1 hits 1a79_c02 naa= 3 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 1 3 # 1 D 115 TYR A 55 TYR.? 4.62 O1 SO4 A 164s D 125 HIS A 26 HIS.? 4.71 C FMT A 169s D 156 LYS A 23 LYS~? 7.94 O2 SO4 A 163 coo 54.10 1.42 85.16 54.14 4.17 85.62 5.35 19.99 -2.93 3.01 19.65 -1.51 coo 61.27 5.43 85.32 62.73 6.38 86.49 2.72 23.95 1.81 2.02 24.34 -0.13 coo 60.28 4.62 76.00 58.35 6.41 80.65 -4.71 17.76 2.76 -7.88 12.28 2.59 1a79_c03 source 1a79 TRNA ENDONUCLEASE : 1 hits 1a79_c03 naa= 3 ULMN 3 1akd_c01 CYTOCHROME P450CAM user 1 3 # 1 252 THR A 110 THR~? 10.74 O4 SO4 A 163 350 PHE A 115 PHE^? 9.41 O4 SO4 A 163 357 CYH A 117 CYH^? 12.33 O3 SO4 A 164 coo 17.85 20.47 14.62 16.85 19.84 12.80 6.07 8.05 16.72 4.39 7.03 15.83 coo 7.92 21.96 13.27 8.57 20.30 15.42 3.08 15.55 12.32 3.16 17.96 10.94 coo 8.82 20.77 7.90 10.59 19.75 9.80 6.82 13.79 7.34 7.06 16.58 7.75 1akd_c01 source 1akd CYTOCHROME P450CAM : 1 hits 1akd_c01 naa= 3 ULMN 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 1 3 # 1 33 ASP A 16 ASP~? 12.49 O1 SO4 A 163 187 GLU A 8 GLU~? 13.24 O1 SO4 A 166 229 LYS A 6 LYS~? 11.13 O2 FMT A 170 coo -52.57 56.60 47.75 -51.52 54.87 46.95 -0.93 2.04 3.86 -0.29 0.92 2.18 coo -45.08 48.37 46.81 -46.53 49.74 45.96 -3.52 -6.82 8.10 -3.87 -4.85 7.45 coo -47.40 44.36 48.48 -50.80 49.18 46.20 1.81 -10.12 10.35 6.10 -9.59 13.30 ULMN 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 2 3 # 2 33 ASP A 16 ASP~? 12.49 O1 SO4 A 163 187 GLU A 100 GLU.? 11.14 C FMT A 170 229 LYS A 98 LYS^? 12.14 C FMT A 170 coo -52.57 56.60 47.75 -51.52 54.87 46.95 -0.93 2.04 3.86 -0.29 0.92 2.18 coo -45.08 48.37 46.81 -46.53 49.74 45.96 9.99 2.18 0.31 10.33 3.83 -0.96 coo -47.40 44.36 48.48 -50.80 49.18 46.20 9.85 7.22 2.90 12.66 6.01 -1.27 ULMN 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 3 3 # 3 33 ASP A 52 ASP.? -7.45 O2 FMT A 169s 187 GLU A 87 GLU~? 11.13 O1 SO4 A 162 229 LYS A 85 LYS~? -5.72 O1 SO4 A 162s coo -52.57 56.60 47.75 -51.52 54.87 46.95 12.19 24.63 -1.44 12.46 22.76 -2.35 coo -45.08 48.37 46.81 -46.53 49.74 45.96 14.65 32.53 8.06 15.69 33.41 6.41 coo -47.40 44.36 48.48 -50.80 49.18 46.20 10.33 34.79 9.25 10.75 38.46 5.58 1ald_c00 source 1ald ALDOLASE A (E.C.4.1.2.13) : 3 hits 1ald_c00 naa= 3 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 122 ASP.? 16.39 O1 SO4 A 164 214 ASP A 68 ASP~? -5.50 O3 GOL A 171s 289 ASP A 52 ASP.? -7.45 O2 FMT A 169s coo -0.62 65.95 29.97 0.31 67.47 31.05 13.07 13.18 -5.76 13.39 11.80 -7.34 coo 26.86 59.76 46.36 25.42 58.23 45.92 9.44 28.67 21.72 8.59 27.12 22.86 coo 9.42 68.07 30.27 7.35 68.27 30.10 12.19 24.63 -1.44 12.46 22.76 -2.35 1amy_c01 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 1 hits 1amy_c01 naa= 3 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 1 3 # 1 B 325 ARG A 80 ARG~? -4.29 O1 GOL A 171s B 342 ASP A 68 ASP~? -5.50 O3 GOL A 171s B 531 ARG A 75 ARG.? 11.85 O2 GOL A 171 coo 68.60 41.07 -12.62 69.17 40.45 -9.67 10.57 40.56 19.67 12.36 38.24 18.82 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 9.44 28.67 21.72 8.59 27.12 22.86 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 4.41 41.96 27.40 4.07 42.61 24.44 1asy_c00 source 1asy TRANSFER RIBONUCLEIC ACID (TRNAASP) : 1 hits 1asy_c00 naa= 3 ULMN 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 1 3 # 1 A 325 ARG A 80 ARG~? -4.29 O1 GOL A 171s A 342 ASP A 68 ASP~? -5.50 O3 GOL A 171s A 531 ARG A 75 ARG.? 11.85 O2 GOL A 171 coo 73.40 61.96 -24.99 72.46 63.92 -22.84 10.57 40.56 19.67 12.36 38.24 18.82 coo 66.77 64.93 -14.03 68.02 64.49 -15.66 9.44 28.67 21.72 8.59 27.12 22.86 coo 80.46 68.51 -18.35 79.98 68.55 -21.36 4.41 41.96 27.40 4.07 42.61 24.44 1asy_c01 source 1asy TRANSFER RIBONUCLEIC ACID (TRNAASP) : 1 hits 1asy_c01 naa= 3 ULMN 3 1ax4_c04 TRYPTOPHANASE user 1 3 # 1 A 130 PHE A 125 PHE^? 7.27 O3 SO4 A 164 A 223 ASP A 52 ASP.? -7.45 O2 FMT A 169s A 265 LYS A 85 LYS~? -5.72 O1 SO4 A 162s coo 39.74 52.86 65.74 41.15 55.14 66.52 5.45 17.40 2.10 3.44 17.20 4.03 coo 30.70 47.50 67.53 29.83 49.47 67.39 12.19 24.63 -1.44 12.46 22.76 -2.35 coo 19.99 54.53 64.11 20.55 58.78 68.33 10.33 34.79 9.25 10.75 38.46 5.58 1ax4_c04 source 1ax4 TRYPTOPHANASE : 1 hits 1ax4_c04 naa= 3 ULMN 3 1ax4_c05 TRYPTOPHANASE user 1 3 # 1 B 130 PHE A 125 PHE^? 7.27 O3 SO4 A 164 B 223 ASP A 52 ASP.? -7.45