EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:28 REMARK 6 MODELLER OBJECTIVE FUNCTION: 89.6878 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.381 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -974.48468 REMARK 6 GA341 score: 0.82417 REMARK 6 Normalized DOPE score: -0.84275 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 52.4% ATOM 1 N GLU 91 9.788 23.836 49.725 1.00 63.10 N ATOM 2 CA GLU 91 9.376 25.250 49.583 1.00 63.10 C ATOM 3 CB GLU 91 10.091 25.891 48.382 1.00 63.10 C ATOM 4 CG GLU 91 9.899 25.136 47.067 1.00 63.10 C ATOM 5 CD GLU 91 10.798 25.796 46.034 1.00 63.10 C ATOM 6 OE1 GLU 91 11.115 27.004 46.214 1.00 63.10 O ATOM 7 OE2 GLU 91 11.184 25.103 45.058 1.00 63.10 O ATOM 8 C GLU 91 7.895 25.373 49.441 1.00 63.10 C ATOM 9 O GLU 91 7.149 24.677 50.125 1.00 63.10 O ATOM 10 N LYS 92 7.419 26.273 48.557 1.00113.41 N ATOM 11 CA LYS 92 5.995 26.433 48.456 1.00113.41 C ATOM 12 CB LYS 92 5.544 27.868 48.769 1.00113.41 C ATOM 13 CG LYS 92 5.817 28.248 50.224 1.00113.41 C ATOM 14 CD LYS 92 7.308 28.263 50.568 1.00113.41 C ATOM 15 CE LYS 92 7.601 28.485 52.054 1.00113.41 C ATOM 16 NZ LYS 92 7.177 27.301 52.834 1.00113.41 N ATOM 17 C LYS 92 5.560 26.100 47.063 1.00113.41 C ATOM 18 O LYS 92 5.849 26.809 46.102 1.00113.41 O ATOM 19 N PRO 93 4.880 24.995 46.963 1.00120.85 N ATOM 20 CA PRO 93 4.376 24.511 45.706 1.00120.85 C ATOM 21 CD PRO 93 5.065 23.924 47.924 1.00120.85 C ATOM 22 CB PRO 93 4.084 23.021 45.911 1.00120.85 C ATOM 23 CG PRO 93 4.120 22.818 47.436 1.00120.85 C ATOM 24 C PRO 93 3.211 25.263 45.142 1.00120.85 C ATOM 25 O PRO 93 2.997 25.191 43.933 1.00120.85 O ATOM 26 N PHE 94 2.433 25.983 45.967 1.00108.37 N ATOM 27 CA PHE 94 1.263 26.585 45.399 1.00108.37 C ATOM 28 CB PHE 94 0.008 26.366 46.251 1.00108.37 C ATOM 29 CG PHE 94 -0.338 24.921 46.143 1.00108.37 C ATOM 30 CD1 PHE 94 0.262 23.994 46.963 1.00108.37 C ATOM 31 CD2 PHE 94 -1.251 24.495 45.206 1.00108.37 C ATOM 32 CE1 PHE 94 -0.064 22.662 46.857 1.00108.37 C ATOM 33 CE2 PHE 94 -1.581 23.166 45.097 1.00108.37 C ATOM 34 CZ PHE 94 -0.984 22.246 45.924 1.00108.37 C ATOM 35 C PHE 94 1.473 28.051 45.249 1.00108.37 C ATOM 36 O PHE 94 1.816 28.746 46.204 1.00108.37 O ATOM 37 N THR 95 1.253 28.568 44.023 1.00 97.09 N ATOM 38 CA THR 95 1.451 29.971 43.812 1.00 97.09 C ATOM 39 CB THR 95 2.489 30.293 42.773 1.00 97.09 C ATOM 40 OG1 THR 95 2.810 31.675 42.814 1.00 97.09 O ATOM 41 CG2 THR 95 1.950 29.912 41.383 1.00 97.09 C ATOM 42 C THR 95 0.156 30.581 43.378 1.00 97.09 C ATOM 43 O THR 95 -0.643 29.949 42.688 1.00 97.09 O ATOM 44 N CYS 96 -0.086 31.833 43.814 1.00 40.61 N ATOM 45 CA CYS 96 -1.286 32.539 43.462 1.00 40.61 C ATOM 46 CB CYS 96 -1.598 33.739 44.375 1.00 40.61 C ATOM 47 SG CYS 96 -3.127 34.596 43.891 1.00 40.61 S ATOM 48 C CYS 96 -1.134 33.044 42.066 1.00 40.61 C ATOM 49 O CYS 96 -0.086 33.563 41.685 1.00 40.61 O ATOM 50 N THR 97 -2.201 32.900 41.261 1.00 39.20 N ATOM 51 CA THR 97 -2.155 33.290 39.886 1.00 39.20 C ATOM 52 CB THR 97 -3.425 32.950 39.161 1.00 39.20 C ATOM 53 OG1 THR 97 -3.676 31.554 39.240 1.00 39.20 O ATOM 54 CG2 THR 97 -3.286 33.384 37.692 1.00 39.20 C ATOM 55 C THR 97 -1.967 34.769 39.779 1.00 39.20 C ATOM 56 O THR 97 -1.150 35.238 38.989 1.00 39.20 O ATOM 57 N GLN 98 -2.746 35.554 40.547 1.00 70.08 N ATOM 58 CA GLN 98 -2.642 36.972 40.360 1.00 70.08 C ATOM 59 CB GLN 98 -3.750 37.757 41.076 1.00 70.08 C ATOM 60 CG GLN 98 -3.646 39.268 40.848 1.00 70.08 C ATOM 61 CD GLN 98 -4.581 39.956 41.831 1.00 70.08 C ATOM 62 OE1 GLN 98 -4.429 39.817 43.042 1.00 70.08 O ATOM 63 NE2 GLN 98 -5.573 40.721 41.303 1.00 70.08 N ATOM 64 C GLN 98 -1.356 37.549 40.873 1.00 70.08 C ATOM 65 O GLN 98 -0.605 38.159 40.112 1.00 70.08 O ATOM 66 N CYS 99 -1.087 37.372 42.188 1.00 58.22 N ATOM 67 CA CYS 99 0.045 37.981 42.845 1.00 58.22 C ATOM 68 CB CYS 99 -0.103 38.047 44.380 1.00 58.22 C ATOM 69 SG CYS 99 -0.315 36.419 45.153 1.00 58.22 S ATOM 70 C CYS 99 1.346 37.317 42.512 1.00 58.22 C ATOM 71 O CYS 99 2.349 37.990 42.279 1.00 58.22 O ATOM 72 N GLY 100 1.369 35.970 42.471 1.00 24.85 N ATOM 73 CA GLY 100 2.596 35.280 42.191 1.00 24.85 C ATOM 74 C GLY 100 3.228 34.830 43.479 1.00 24.85 C ATOM 75 O GLY 100 4.288 34.208 43.467 1.00 24.85 O ATOM 76 N LYS 101 2.600 35.133 44.633 1.00 78.45 N ATOM 77 CA LYS 101 3.157 34.715 45.892 1.00 78.45 C ATOM 78 CB LYS 101 2.521 35.408 47.111 1.00 78.45 C ATOM 79 CG LYS 101 3.224 35.086 48.434 1.00 78.45 C ATOM 80 CD LYS 101 2.765 35.946 49.615 1.00 78.45 C ATOM 81 CE LYS 101 3.625 35.778 50.871 1.00 78.45 C ATOM 82 NZ LYS 101 4.900 36.513 50.710 1.00 78.45 N ATOM 83 C LYS 101 2.935 33.238 46.037 1.00 78.45 C ATOM 84 O LYS 101 1.928 32.706 45.567 1.00 78.45 O ATOM 85 N SER 102 3.878 32.533 46.705 1.00 53.98 N ATOM 86 CA SER 102 3.778 31.102 46.843 1.00 53.98 C ATOM 87 CB SER 102 5.049 30.344 46.414 1.00 53.98 C ATOM 88 OG SER 102 5.305 30.527 45.027 1.00 53.98 O ATOM 89 C SER 102 3.521 30.748 48.282 1.00 53.98 C ATOM 90 O SER 102 3.894 31.483 49.195 1.00 53.98 O ATOM 91 N PHE 103 2.857 29.590 48.508 1.00136.15 N ATOM 92 CA PHE 103 2.507 29.168 49.839 1.00136.15 C ATOM 93 CB PHE 103 0.997 29.287 50.128 1.00136.15 C ATOM 94 CG PHE 103 0.636 30.733 50.115 1.00136.15 C ATOM 95 CD1 PHE 103 0.261 31.346 48.940 1.00136.15 C ATOM 96 CD2 PHE 103 0.681 31.476 51.274 1.00136.15 C ATOM 97 CE1 PHE 103 -0.070 32.680 48.920 1.00136.15 C ATOM 98 CE2 PHE 103 0.350 32.810 51.260 1.00136.15 C ATOM 99 CZ PHE 103 -0.025 33.413 50.082 1.00136.15 C ATOM 100 C PHE 103 2.859 27.720 50.015 1.00136.15 C ATOM 101 O PHE 103 2.906 26.949 49.058 1.00136.15 O ATOM 102 N ASN 104 3.144 27.331 51.276 1.00 97.22 N ATOM 103 CA ASN 104 3.461 25.973 51.619 1.00 97.22 C ATOM 104 CB ASN 104 3.981 25.806 53.055 1.00 97.22 C ATOM 105 CG ASN 104 4.494 24.375 53.198 1.00 97.22 C ATOM 106 OD1 ASN 104 4.521 23.606 52.238 1.00 97.22 O ATOM 107 ND2 ASN 104 4.911 23.999 54.435 1.00 97.22 N ATOM 108 C ASN 104 2.231 25.123 51.511 1.00 97.22 C ATOM 109 O ASN 104 2.298 23.976 51.072 1.00 97.22 O ATOM 110 N GLN 105 1.062 25.656 51.920 1.00 85.88 N ATOM 111 CA GLN 105 -0.108 24.825 51.916 1.00 85.88 C ATOM 112 CB GLN 105 -0.724 24.596 53.309 1.00 85.88 C ATOM 113 CG GLN 105 0.062 23.639 54.213 1.00 85.88 C ATOM 114 CD GLN 105 -0.211 22.215 53.740 1.00 85.88 C ATOM 115 OE1 GLN 105 0.129 21.842 52.618 1.00 85.88 O ATOM 116 NE2 GLN 105 -0.847 21.392 54.616 1.00 85.88 N ATOM 117 C GLN 105 -1.174 25.424 51.059 1.00 85.88 C ATOM 118 O GLN 105 -1.247 26.636 50.861 1.00 85.88 O ATOM 119 N SER 106 -2.035 24.536 50.525 1.00 70.93 N ATOM 120 CA SER 106 -3.129 24.863 49.660 1.00 70.93 C ATOM 121 CB SER 106 -3.858 23.603 49.165 1.00 70.93 C ATOM 122 OG SER 106 -4.952 23.953 48.333 1.00 70.93 O ATOM 123 C SER 106 -4.142 25.691 50.387 1.00 70.93 C ATOM 124 O SER 106 -4.676 26.649 49.830 1.00 70.93 O ATOM 125 N SER 107 -4.429 25.355 51.659 1.00 62.22 N ATOM 126 CA SER 107 -5.465 26.056 52.362 1.00 62.22 C ATOM 127 CB SER 107 -5.689 25.525 53.791 1.00 62.22 C ATOM 128 OG SER 107 -6.721 26.263 54.432 1.00 62.22 O ATOM 129 C SER 107 -5.104 27.504 52.460 1.00 62.22 C ATOM 130 O SER 107 -5.949 28.374 52.245 1.00 62.22 O ATOM 131 N SER 108 -3.826 27.799 52.766 1.00 23.87 N ATOM 132 CA SER 108 -3.390 29.158 52.920 1.00 23.87 C ATOM 133 CB SER 108 -1.906 29.257 53.308 1.00 23.87 C ATOM 134 OG SER 108 -1.695 28.641 54.567 1.00 23.87 O ATOM 135 C SER 108 -3.550 29.860 51.608 1.00 23.87 C ATOM 136 O SER 108 -3.971 31.014 51.550 1.00 23.87 O ATOM 137 N LEU 109 -3.221 29.158 50.510 1.00101.39 N ATOM 138 CA LEU 109 -3.294 29.743 49.205 1.00101.39 C ATOM 139 CB LEU 109 -2.802 28.770 48.110 1.00101.39 C ATOM 140 CG LEU 109 -2.533 29.379 46.711 1.00101.39 C ATOM 141 CD1 LEU 109 -2.240 28.272 45.685 1.00101.39 C ATOM 142 CD2 LEU 109 -3.633 30.340 46.238 1.00101.39 C ATOM 143 C LEU 109 -4.735 30.067 48.949 1.00101.39 C ATOM 144 O LEU 109 -5.060 31.140 48.441 1.00101.39 O ATOM 145 N ASN 110 -5.644 29.162 49.351 1.00 57.87 N ATOM 146 CA ASN 110 -7.040 29.341 49.080 1.00 57.87 C ATOM 147 CB ASN 110 -7.905 28.230 49.704 1.00 57.87 C ATOM 148 CG ASN 110 -9.285 28.266 49.063 1.00 57.87 C ATOM 149 OD1 ASN 110 -9.846 29.333 48.824 1.00 57.87 O ATOM 150 ND2 ASN 110 -9.857 27.063 48.780 1.00 57.87 N ATOM 151 C ASN 110 -7.460 30.638 49.684 1.00 57.87 C ATOM 152 O ASN 110 -8.186 31.412 49.061 1.00 57.87 O ATOM 153 N LYS 111 -7.011 30.918 50.920 1.00111.07 N ATOM 154 CA LYS 111 -7.364 32.167 51.523 1.00111.07 C ATOM 155 CB LYS 111 -7.047 32.238 53.025 1.00111.07 C ATOM 156 CG LYS 111 -7.448 33.573 53.656 1.00111.07 C ATOM 157 CD LYS 111 -8.954 33.844 53.598 1.00111.07 C ATOM 158 CE LYS 111 -9.400 35.035 54.446 1.00111.07 C ATOM 159 NZ LYS 111 -9.394 34.659 55.877 1.00111.07 N ATOM 160 C LYS 111 -6.537 33.236 50.817 1.00111.07 C ATOM 161 O LYS 111 -7.152 34.197 50.278 1.00111.07 O ATOM 162 OXT LYS 111 -5.285 33.109 50.806 1.00111.07 O