REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 17-JUL-08 3DUE COMPND PUTATIVE PERIPLASMIC PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS ATCC 8482; SOURCE 3 ORGANISM_TAXID: 435590; SOURCE 4 ATCC: 8482; SOURCE 5 GENE: YP_001300247.1, BVU_2987; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 50 8 HET MSE A 53 13 HET MSE A 112 8 HET MSE A 136 8 HET CAC A 1 5 SITE 1 AC1 7 GLY A 0 ASP A 56 TRP A 57 GLY A 69 >GLY.A 0 4.01 31.86 0.95 3.81 32.23 0.24 3.91 32.05 0.59 1 0 -19.00 -999 ? C2 CAC A 1s >ALA.A 20 7.20 31.65 -1.15 8.14 30.43 -1.06 7.67 31.04 -1.10 2 0 17.20 -999 ? C2 CAC A 1 >ASP.A 21 7.34 31.91 -5.44 7.62 32.39 -7.46 7.48 32.15 -6.45 2 0 16.48 -999 ? C2 CAC A 1 >ASP.A 22 2.11 33.18 -3.03 2.14 31.10 -2.75 2.13 32.14 -2.89 2 0 20.51 -999 ? C2 CAC A 1 >ASP.A 23 4.79 38.06 -4.62 6.27 37.23 -5.84 5.53 37.65 -5.23 2 0 13.79 -999 ? C2 CAC A 1 >LYS^A 24 1.58 39.47 -7.34 -1.56 35.18 -8.78 0.01 37.33 -8.06 2 0 22.07 -999 ? C2 CAC A 1 >PRO^A 25 2.56 41.76 -10.99 2.39 42.10 -8.75 2.48 41.93 -9.87 3 0 16.32 -999 ? O2 CAC A 1 >ILE.A 26 -0.24 45.77 -6.57 -0.26 45.52 -5.19 -0.25 45.64 -5.88 3 0 16.51 -999 ? O2 CAC A 1 >GLN~A 27 -1.14 49.33 -11.24 0.51 50.14 -12.30 -0.32 49.73 -11.77 2 0 18.54 -999 ? C1 CAC A 1 >VAL~A 28 0.08 52.09 -6.14 1.41 53.89 -5.77 0.74 52.99 -5.96 3 0 16.60 -999 ? O2 CAC A 1 >ASN~A 29 -4.53 53.28 -7.32 -4.74 52.12 -9.06 -4.64 52.70 -8.19 2 0 22.26 -999 ? O2 CAC A 1 >GLN~A 30 -4.46 47.81 -7.31 -3.96 46.15 -8.54 -4.21 46.98 -7.92 2 0 20.79 -999 ? O2 CAC A 1 >LEU~A 31 -1.09 50.60 -1.61 1.06 50.34 -1.96 -0.02 50.47 -1.78 3 0 16.04 -999 ? O2 CAC A 1 >PRO~A 32 -3.59 48.41 2.26 -4.01 50.08 0.83 -3.80 49.24 1.55 3 0 19.86 -999 ? O2 CAC A 1 >GLN~A 33 -6.69 56.05 2.22 -8.42 56.85 3.19 -7.56 56.45 2.71 2 0 26.46 -999 ? O2 CAC A 1 >THR~A 34 -3.10 54.50 4.66 -3.49 54.11 6.77 -3.30 54.31 5.72 2 0 22.11 -999 ? O2 CAC A 1 >ALA~A 35 -0.04 53.15 2.79 0.13 51.76 2.29 0.05 52.46 2.54 2 0 16.72 -999 ? O2 CAC A 1 >GLN~A 36 -2.17 54.39 -1.81 -3.88 54.59 -3.01 -3.02 54.49 -2.41 2 0 20.98 -999 ? O2 CAC A 1 >THR~A 37 -0.88 58.49 2.31 -2.46 59.39 3.53 -1.67 58.94 2.92 2 0 22.54 -999 ? O2 CAC A 1 >PHE~A 38 3.85 55.81 5.30 6.29 55.48 6.50 5.07 55.65 5.90 3 0 15.63 -999 ? O2 CAC A 1 >ILE~A 39 3.92 56.51 -0.54 4.25 55.49 -1.48 4.09 56.00 -1.01 3 0 14.64 -999 ? O2 CAC A 1 >THR~A 41 3.69 62.24 3.22 2.60 62.33 5.11 3.14 62.28 4.17 2 0 21.22 -999 ? O2 CAC A 1 >HIS~A 42 6.65 59.92 5.95 5.64 60.40 7.73 6.14 60.16 6.84 3 0 18.32 -999 ? O2 CAC A 1 >PHE~A 43 9.24 57.86 1.10 10.51 56.76 3.31 9.88 57.31 2.21 3 0 12.41 -999 ? O2 CAC A 1 >PRO.A 44 7.32 64.25 -0.64 6.99 62.22 -1.55 7.15 63.23 -1.09 3 0 18.28 -999 ? O2 CAC A 1 >ASP.A 45 10.44 64.06 -4.45 9.53 65.93 -4.08 9.98 65.00 -4.26 2 0 19.69 -999 ? C1 CAC A 1 >ASN.A 46 10.53 58.26 -3.83 12.00 58.64 -2.32 11.27 58.45 -3.08 2 0 12.16 -999 ? O2 CAC A 1 >VAL^A 48 7.89 53.87 -7.45 6.02 53.06 -6.54 6.96 53.47 -7.00 3 0 11.93 -999 ? C1 CAC A 1 >ALA^A 49 10.02 51.23 -9.25 11.43 50.82 -8.85 10.72 51.03 -9.05 2 0 7.87 -999 ? C1 CAC A 1 >MET?A 50 7.86 48.25 -8.29 11.21 45.67 -8.13 9.53 46.96 -8.21 2 0 7.29 -999 ? C1 CAC A 1 >ALA^A 51 5.11 47.20 -5.93 4.04 48.29 -5.78 4.57 47.75 -5.85 2 0 12.37 -999 ? O2 CAC A 1 >LYS^A 52 3.68 43.84 -4.93 8.83 40.55 -2.87 6.25 42.20 -3.90 2 0 9.51 -999 ? O2 CAC A 1 >MET?A 53 1.34 42.10 -2.56 -1.35 39.75 -1.33 0.00 40.93 -1.94 2 0 18.52 -999 ? O2 CAC A 1 >GLU^A 54 5.27 39.64 -0.50 6.42 38.02 -1.33 5.84 38.83 -0.92 2 0 12.94 -999 ? O2 CAC A 1 >THR^A 55 0.87 36.45 1.47 -0.32 35.52 -0.06 0.28 35.99 0.70 2 0 19.79 -999 ? O2 CAC A 1 >ASP^A 56 2.82 35.31 5.48 3.94 34.18 6.86 3.38 34.75 6.17 2 0 -19.42 -999 ? O2 CAC A 1s >TRP.A 57 1.57 30.67 7.46 0.01 27.06 7.42 0.79 28.86 7.44 3 0 -25.21 -999 ? C2 CAC A 1s >PHE.A 58 -5.97 33.06 5.84 -7.66 31.07 4.74 -6.82 32.06 5.29 3 0 27.93 -999 ? O2 CAC A 1 >ASP^A 59 -0.58 37.63 7.46 -1.39 37.30 9.39 -0.98 37.46 8.43 2 0 22.58 -999 ? O2 CAC A 1 >LYS^A 60 -1.22 39.94 3.48 -6.95 39.68 0.88 -4.09 39.81 2.18 2 0 23.94 -999 ? O2 CAC A 1 >SER^A 61 1.58 42.40 3.16 3.56 41.01 3.09 2.57 41.71 3.12 2 0 14.37 -999 ? O2 CAC A 1 >TYR^A 62 0.12 45.76 0.53 -2.50 44.93 0.46 -1.19 45.34 0.50 3 0 17.09 -999 ? O2 CAC A 1 >ASP^A 63 7.05 44.84 -0.77 7.00 43.47 0.88 7.02 44.16 0.06 2 0 9.74 -999 ? O2 CAC A 1 >VAL^A 64 7.13 49.09 -2.49 5.78 50.76 -2.71 6.46 49.93 -2.60 3 0 9.68 -999 ? O2 CAC A 1 >ILE^A 65 11.60 48.75 -4.36 12.68 47.81 -4.17 12.14 48.28 -4.27 3 0 4.50 -999 ? O2 CAC A 1 >PHE^A 66 10.52 54.74 -3.31 8.42 55.23 -1.52 9.47 54.99 -2.42 3 0 10.08 -999 ? O2 CAC A 1 >THR.A 67 13.82 53.95 -8.07 12.88 55.34 -9.39 13.35 54.64 -8.73 2 0 10.06 -999 ? C1 CAC A 1 >ASN.A 68 16.58 56.32 -4.80 15.50 56.20 -2.98 16.04 56.26 -3.89 2 0 8.71 -999 ? C1 CAC A 1 >GLY.A 69 16.46 51.57 -3.98 15.99 52.14 -3.66 16.22 51.86 -3.82 1 0 -3.89 -999 ? C1 CAC A 1s >ASP.A 70 14.41 54.06 -0.28 16.22 54.94 0.37 15.31 54.50 0.04 2 0 8.17 -999 ? O2 CAC A 1 >LYS^A 71 11.94 50.10 0.27 10.70 45.08 2.09 11.32 47.59 1.18 2 0 6.57 -999 ? O2 CAC A 1 >LEU^A 72 7.70 51.11 2.00 8.16 53.18 2.29 7.93 52.15 2.15 3 0 10.03 -999 ? O2 CAC A 1 >GLU^A 73 6.47 44.60 4.32 7.30 43.13 5.57 6.88 43.86 4.95 2 0 11.78 -999 ? O2 CAC A 1 >PHE^A 74 2.85 49.60 3.64 3.88 51.99 2.71 3.37 50.80 3.17 3 0 13.76 -999 ? O2 CAC A 1 >ASP.A 75 0.61 45.06 8.33 -0.62 46.64 9.10 -0.01 45.85 8.71 2 0 19.56 -999 ? O2 CAC A 1 >LYS.A 76 -2.63 44.06 5.57 -5.89 40.74 9.94 -4.26 42.40 7.76 2 0 25.31 -999 ? O2 CAC A 1 >LYS.A 77 -4.07 47.40 6.73 -6.68 45.92 12.11 -5.37 46.66 9.42 2 0 26.31 -999 ? O2 CAC A 1 >GLY.A 78 -1.31 49.50 5.09 -1.32 49.34 5.89 -1.31 49.42 5.49 1 0 18.45 -999 ? O2 CAC A 1 >ILE.A 79 -0.06 49.87 9.76 -0.60 51.09 10.23 -0.33 50.48 9.99 3 0 20.12 -999 ? O2 CAC A 1 >TRP^A 80 4.89 53.37 9.16 7.82 52.06 11.43 6.35 52.72 10.29 3 0 16.23 -999 ? O2 CAC A 1 >THR^A 81 6.30 47.24 9.11 5.06 45.64 8.40 5.68 46.44 8.76 2 0 14.74 -999 ? O2 CAC A 1 >GLU^A 82 11.64 47.21 6.24 12.51 45.57 5.18 12.07 46.39 5.71 2 0 7.75 -999 ? O2 CAC A 1 >VAL^A 83 11.10 51.54 6.26 10.19 53.45 6.70 10.65 52.49 6.48 3 0 11.05 -999 ? O2 CAC A 1 >ASN^A 84 14.48 49.15 4.14 16.37 48.35 3.82 15.42 48.75 3.98 2 0 5.74 -999 ? O2 CAC A 1 >CYH.A 85 16.19 53.75 3.59 13.93 55.28 3.84 15.06 54.51 3.71 2 0 10.07 -999 ? O2 CAC A 1 >LYS.A 86 19.71 52.28 3.25 18.20 47.77 1.07 18.95 50.03 2.16 2 0 -2.70 -999 ? O1 CAC A 1s >TYR.A 87 19.93 52.78 -1.52 20.21 50.10 -2.18 20.07 51.44 -1.85 3 0 -4.42 -999 ? O1 CAC A 1s >SER.A 88 19.32 57.74 2.08 16.85 57.78 1.73 18.09 57.76 1.90 2 0 11.10 -999 ? O1 CAC A 1 >ALA.A 89 17.99 57.87 5.72 18.58 59.11 6.45 18.28 58.49 6.08 2 0 14.27 -999 ? O1 CAC A 1 >VAL.A 90 14.66 57.10 7.45 13.99 55.47 8.76 14.33 56.28 8.11 3 0 13.55 -999 ? O2 CAC A 1 >PRO~A 91 11.60 59.56 5.51 12.85 59.64 7.35 12.23 59.60 6.43 3 0 15.34 -999 ? O2 CAC A 1 >VAL~A 92 12.60 61.48 11.13 13.86 63.27 11.34 13.23 62.38 11.24 3 0 20.21 -999 ? O2 CAC A 1 >ALA~A 93 8.84 62.02 11.24 8.05 62.90 10.30 8.44 62.46 10.77 2 0 21.29 -999 ? O2 CAC A 1 >VAL~A 94 8.35 58.24 10.79 8.57 56.93 9.03 8.46 57.58 9.91 3 0 17.27 -999 ? O2 CAC A 1 >VAL~A 95 10.24 57.33 13.98 12.44 56.97 14.02 11.34 57.15 14.00 3 0 19.18 -999 ? O2 CAC A 1 >PRO~A 96 8.34 54.74 16.89 8.92 56.91 16.74 8.63 55.82 16.82 3 0 21.69 -999 ? O2 CAC A 1 >ASP~A 97 8.99 60.89 20.43 8.60 62.65 19.30 8.80 61.77 19.86 2 0 27.11 -999 ? O2 CAC A 1 >ALA~A 98 11.22 57.51 22.36 10.43 56.38 23.03 10.82 56.94 22.70 2 0 26.97 -999 ? O2 CAC A 1 >ILE~A 99 12.98 55.03 18.60 12.90 53.79 17.91 12.94 54.41 18.25 3 0 21.47 -999 ? O2 CAC A 1 >LYS~A 100 14.61 59.20 18.26 10.68 62.49 14.99 12.65 60.85 16.63 2 0 23.29 -999 ? O2 CAC A 1 >TYR~A 102 17.85 54.91 23.23 19.71 53.11 24.14 18.78 54.01 23.68 3 0 26.13 -999 ? O1 CAC A 1 >VAL~A 103 19.43 57.31 19.37 18.99 56.52 17.36 19.21 56.92 18.36 3 0 22.14 -999 ? O1 CAC A 1 >ALA~A 104 20.10 61.08 19.61 19.04 62.16 19.67 19.57 61.62 19.64 2 0 25.92 -999 ? O1 CAC A 1 >THR~A 105 21.50 60.73 23.17 20.56 60.67 25.11 21.03 60.70 24.14 2 0 29.91 -999 ? O1 CAC A 1 >ASN~A 106 22.86 56.18 22.92 22.05 56.13 24.90 22.46 56.16 23.91 2 0 28.12 -999 ? O1 CAC A 1 >TYR~A 107 24.14 55.38 18.85 24.22 53.03 20.31 24.18 54.21 19.58 3 0 22.96 -999 ? O1 CAC A 1 >PRO.A 108 25.70 61.83 20.23 24.57 61.03 18.45 25.14 61.43 19.34 3 0 26.09 -999 ? O1 CAC A 1 >ASP.A 109 27.53 61.93 14.69 28.12 63.67 15.74 27.83 62.80 15.22 2 0 25.69 -999 ? O1 CAC A 1 >ALA.A 110 24.54 58.50 13.30 24.40 57.19 14.05 24.47 57.84 13.68 2 0 19.40 -999 ? O1 CAC A 1 >LYS.A 111 21.57 58.51 11.01 22.56 59.66 4.93 22.06 59.08 7.97 2 0 14.53 -999 ? O1 CAC A 1 >MET?A 112 18.96 55.81 10.88 15.32 54.80 12.71 17.14 55.30 11.79 2 0 16.39 -999 ? O2 CAC A 1 >LEU.A 113 20.37 52.84 7.34 22.09 53.89 6.52 21.23 53.37 6.93 3 0 10.79 -999 ? O1 CAC A 1 >LYS.A 114 16.37 51.19 8.61 16.39 45.09 6.90 16.38 48.14 7.76 2 0 8.88 -999 ? O2 CAC A 1 >ILE.A 115 12.85 51.82 11.64 11.81 52.63 12.15 12.33 52.23 11.90 3 0 14.95 -999 ? O2 CAC A 1 >GLU.A 116 13.15 46.20 9.96 14.08 44.31 9.87 13.61 45.26 9.91 2 0 12.03 -999 ? O2 CAC A 1 >ARG.A 117 6.11 49.51 13.68 4.02 51.64 13.00 5.06 50.57 13.34 2 0 19.33 -999 ? O2 CAC A 1 >ASP.A 118 6.43 42.30 14.34 7.57 41.79 16.01 7.00 42.05 15.18 2 0 20.20 -999 ? O2 CAC A 1 >HIS.A 120 5.28 40.69 20.29 3.60 39.46 20.57 4.44 40.08 20.43 3 0 25.81 -999 ? O2 CAC A 1 >ASP^A 121 10.44 44.05 18.99 10.32 42.88 20.75 10.38 43.46 19.87 2 0 23.49 -999 ? O2 CAC A 1 >TYR^A 122 9.69 49.72 17.34 7.32 51.00 17.94 8.50 50.36 17.64 3 0 20.92 -999 ? O2 CAC A 1 >GLU^A 123 14.22 44.40 15.21 15.04 42.53 14.61 14.63 43.47 14.91 2 0 16.97 -999 ? O2 CAC A 1 >VAL^A 124 16.55 49.96 14.28 16.26 51.86 15.27 16.40 50.91 14.78 3 0 16.87 -999 ? O1 CAC A 1 >LEU^A 126 22.51 53.52 13.58 21.18 54.25 15.15 21.85 53.88 14.37 3 0 17.56 -999 ? O1 CAC A 1 >SER.A 127 24.66 54.27 9.73 24.89 56.63 10.31 24.77 55.45 10.02 2 0 16.40 -999 ? O1 CAC A 1 >ASN.A 128 27.63 54.31 13.50 26.26 53.90 15.08 26.94 54.10 14.29 2 0 19.52 -999 ? O1 CAC A 1 >GLY.A 129 26.62 49.72 12.18 26.24 50.17 12.69 26.43 49.95 12.44 1 0 16.15 -999 ? O1 CAC A 1 >TRP.A 130 27.29 51.26 16.91 27.69 48.49 19.66 27.49 49.88 18.29 3 0 21.95 -999 ? O1 CAC A 1 >GLU^A 131 22.05 46.23 13.66 21.90 44.32 12.75 21.97 45.27 13.21 2 0 15.02 -999 ? O1 CAC A 1 >ILE^A 132 18.98 49.66 19.00 19.37 50.76 19.60 19.18 50.21 19.30 3 0 21.08 -999 ? O1 CAC A 1 >LYS^A 133 15.86 46.27 19.43 13.56 40.37 20.38 14.71 43.32 19.90 2 0 23.20 -999 ? O2 CAC A 1 >PHE^A 134 13.83 50.39 20.90 15.82 52.34 20.52 14.82 51.36 20.71 3 0 22.87 -999 ? O2 CAC A 1 >ASP^A 135 9.61 45.62 24.03 9.65 46.82 25.77 9.63 46.22 24.90 2 0 28.15 -999 ? O2 CAC A 1 >MET?A 136 6.57 48.32 22.31 4.98 47.91 19.37 5.78 48.12 20.84 2 0 23.67 -999 ? O2 CAC A 1 >GLN.A 137 5.64 48.86 27.05 5.22 47.03 25.99 5.43 47.95 26.52 2 0 29.63 -999 ? O2 CAC A 1 >PHE.A 138 9.55 53.10 23.03 7.71 53.78 21.11 8.63 53.44 22.07 3 0 25.62 -999 ? O2 CAC A 1 >ASN.A 139 12.23 47.99 27.47 10.86 48.60 28.94 11.54 48.30 28.21 2 0 31.09 -999 ? O2 CAC A 1 >VAL^A 140 16.03 48.33 24.88 17.78 49.51 24.30 16.90 48.92 24.59 3 0 26.26 -999 ? O1 CAC A 1 >ILE^A 141 15.04 43.76 23.73 14.22 43.26 24.80 14.63 43.51 24.27 3 0 26.26 -999 ? O2 CAC A 1 >ASP^A 142 19.16 42.80 21.56 18.91 40.92 22.53 19.03 41.86 22.04 2 0 24.93 -999 ? O1 CAC A 1 >ASP^A 144 23.66 43.43 17.95 24.88 41.88 17.21 24.27 42.66 17.58 2 0 20.56 -999 ? O1 CAC A 1 >ASN.A 145 28.16 46.44 16.64 29.36 47.60 15.34 28.76 47.02 15.99 2 0 20.10 -999 ? O1 CAC A 1