EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:17:52 REMARK 6 MODELLER OBJECTIVE FUNCTION: 93.4860 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.148 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1840.17627 REMARK 6 GA341 score: 0.98228 REMARK 6 Normalized DOPE score: -1.54481 REMARK 6 TEMPLATE: 1llmC01 104:C - 130:C MODELS 1: - 27: AT 48.1% ATOM 1 N PHE 86 -1.565 49.392 62.291 1.00 39.24 N ATOM 2 CA PHE 86 -0.384 48.510 62.159 1.00 39.24 C ATOM 3 CB PHE 86 0.467 48.912 60.947 1.00 39.24 C ATOM 4 CG PHE 86 -0.267 48.476 59.728 1.00 39.24 C ATOM 5 CD1 PHE 86 -1.335 49.200 59.253 1.00 39.24 C ATOM 6 CD2 PHE 86 0.121 47.339 59.057 1.00 39.24 C ATOM 7 CE1 PHE 86 -2.006 48.793 58.123 1.00 39.24 C ATOM 8 CE2 PHE 86 -0.548 46.929 57.928 1.00 39.24 C ATOM 9 CZ PHE 86 -1.613 47.657 57.458 1.00 39.24 C ATOM 10 C PHE 86 0.470 48.545 63.376 1.00 39.24 C ATOM 11 O PHE 86 0.814 49.613 63.880 1.00 39.24 O ATOM 12 N SER 87 0.833 47.349 63.878 1.00 77.13 N ATOM 13 CA SER 87 1.610 47.284 65.074 1.00 77.13 C ATOM 14 CB SER 87 0.973 46.416 66.172 0.50 77.13 C ATOM 15 OG SER 87 0.863 45.073 65.721 1.00 77.13 O ATOM 16 C SER 87 2.940 46.691 64.747 1.00 77.13 C ATOM 17 O SER 87 3.069 45.848 63.857 1.00 77.13 O ATOM 18 N CYS 88 3.977 47.155 65.471 1.00 37.12 N ATOM 19 CA CYS 88 5.308 46.658 65.297 1.00 37.12 C ATOM 20 CB CYS 88 6.383 47.669 65.747 1.00 37.12 C ATOM 21 SG CYS 88 8.085 47.067 65.540 1.00 37.12 S ATOM 22 C CYS 88 5.404 45.452 66.174 1.00 37.12 C ATOM 23 O CYS 88 5.020 45.490 67.342 1.00 37.12 O ATOM 24 N LYS 89 5.898 44.330 65.623 1.00 79.04 N ATOM 25 CA LYS 89 5.951 43.130 66.403 1.00 79.04 C ATOM 26 CB LYS 89 6.453 41.896 65.634 1.00 79.04 C ATOM 27 CG LYS 89 5.503 41.357 64.563 1.00 79.04 C ATOM 28 CD LYS 89 5.491 42.167 63.267 1.00 79.04 C ATOM 29 CE LYS 89 4.741 41.459 62.137 1.00 79.04 C ATOM 30 NZ LYS 89 4.944 42.179 60.862 1.00 79.04 N ATOM 31 C LYS 89 6.893 43.298 67.550 1.00 79.04 C ATOM 32 O LYS 89 6.627 42.816 68.650 1.00 79.04 O ATOM 33 N GLN 90 8.047 43.950 67.314 1.00 78.23 N ATOM 34 CA GLN 90 9.029 43.996 68.354 1.00 78.23 C ATOM 35 CB GLN 90 10.362 44.515 67.800 1.00 78.23 C ATOM 36 CG GLN 90 10.878 43.556 66.720 1.00 78.23 C ATOM 37 CD GLN 90 12.045 44.197 65.987 1.00 78.23 C ATOM 38 OE1 GLN 90 12.864 44.900 66.576 1.00 78.23 O ATOM 39 NE2 GLN 90 12.119 43.950 64.651 1.00 78.23 N ATOM 40 C GLN 90 8.583 44.814 69.535 1.00 78.23 C ATOM 41 O GLN 90 8.520 44.302 70.652 1.00 78.23 O ATOM 42 N CYS 91 8.258 46.105 69.326 1.00 57.30 N ATOM 43 CA CYS 91 7.813 46.958 70.397 1.00 57.30 C ATOM 44 CB CYS 91 7.948 48.453 70.058 1.00 57.30 C ATOM 45 SG CYS 91 7.087 48.930 68.531 1.00 57.30 S ATOM 46 C CYS 91 6.393 46.662 70.774 1.00 57.30 C ATOM 47 O CYS 91 6.049 46.633 71.955 1.00 57.30 O ATOM 48 N GLY 92 5.523 46.423 69.771 1.00 21.84 N ATOM 49 CA GLY 92 4.138 46.166 70.044 1.00 21.84 C ATOM 50 C GLY 92 3.370 47.452 69.949 1.00 21.84 C ATOM 51 O GLY 92 2.166 47.483 70.200 1.00 21.84 O ATOM 52 N LYS 93 4.048 48.558 69.585 1.00 76.45 N ATOM 53 CA LYS 93 3.371 49.818 69.479 1.00 76.45 C ATOM 54 CB LYS 93 4.318 51.031 69.525 1.00 76.45 C ATOM 55 CG LYS 93 3.586 52.373 69.558 1.00 76.45 C ATOM 56 CD LYS 93 4.424 53.521 70.124 1.00 76.45 C ATOM 57 CE LYS 93 5.703 53.832 69.347 1.00 76.45 C ATOM 58 NZ LYS 93 6.422 54.949 70.001 1.00 76.45 N ATOM 59 C LYS 93 2.585 49.831 68.203 1.00 76.45 C ATOM 60 O LYS 93 2.955 49.179 67.226 1.00 76.45 O ATOM 61 N SER 94 1.456 50.572 68.195 1.00 71.36 N ATOM 62 CA SER 94 0.603 50.607 67.043 1.00 71.36 C ATOM 63 CB SER 94 -0.882 50.392 67.385 1.00 71.36 C ATOM 64 OG SER 94 -1.669 50.447 66.207 1.00 71.36 O ATOM 65 C SER 94 0.719 51.959 66.410 1.00 71.36 C ATOM 66 O SER 94 1.006 52.951 67.080 1.00 71.36 O ATOM 67 N PHE 95 0.518 52.022 65.077 1.00 49.32 N ATOM 68 CA PHE 95 0.644 53.273 64.385 1.00 49.32 C ATOM 69 CB PHE 95 1.909 53.361 63.512 1.00 49.32 C ATOM 70 CG PHE 95 3.088 53.281 64.423 1.00 49.32 C ATOM 71 CD1 PHE 95 3.595 52.057 64.797 1.00 49.32 C ATOM 72 CD2 PHE 95 3.683 54.424 64.908 1.00 49.32 C ATOM 73 CE1 PHE 95 4.679 51.968 65.638 1.00 49.32 C ATOM 74 CE2 PHE 95 4.769 54.342 65.751 1.00 49.32 C ATOM 75 CZ PHE 95 5.267 53.114 66.115 1.00 49.32 C ATOM 76 C PHE 95 -0.537 53.436 63.482 1.00 49.32 C ATOM 77 O PHE 95 -1.151 52.463 63.046 1.00 49.32 O ATOM 78 N SER 96 -0.893 54.703 63.198 1.00 71.56 N ATOM 79 CA SER 96 -2.016 55.028 62.367 1.00 71.56 C ATOM 80 CB SER 96 -2.361 56.527 62.396 1.00 71.56 C ATOM 81 OG SER 96 -3.478 56.785 61.558 1.00 71.56 O ATOM 82 C SER 96 -1.732 54.667 60.942 1.00 71.56 C ATOM 83 O SER 96 -2.653 54.315 60.204 1.00 71.56 O ATOM 84 N GLN 97 -0.455 54.735 60.510 1.00 39.18 N ATOM 85 CA GLN 97 -0.196 54.513 59.116 1.00 39.18 C ATOM 86 CB GLN 97 0.344 55.771 58.419 1.00 39.18 C ATOM 87 CG GLN 97 -0.660 56.925 58.401 1.00 39.18 C ATOM 88 CD GLN 97 0.032 58.129 57.783 1.00 39.18 C ATOM 89 OE1 GLN 97 0.644 58.933 58.483 1.00 39.18 O ATOM 90 NE2 GLN 97 -0.069 58.264 56.434 1.00 39.18 N ATOM 91 C GLN 97 0.806 53.416 58.926 1.00 39.18 C ATOM 92 O GLN 97 1.771 53.281 59.676 1.00 39.18 O ATOM 93 N LYS 98 0.576 52.604 57.875 1.00 96.79 N ATOM 94 CA LYS 98 1.410 51.489 57.535 1.00 96.79 C ATOM 95 CB LYS 98 0.858 50.664 56.358 1.00 96.79 C ATOM 96 CG LYS 98 1.811 49.554 55.906 1.00 96.79 C ATOM 97 CD LYS 98 1.195 48.587 54.891 1.00 96.79 C ATOM 98 CE LYS 98 2.212 47.644 54.240 1.00 96.79 C ATOM 99 NZ LYS 98 3.087 48.400 53.317 1.00 96.79 N ATOM 100 C LYS 98 2.778 51.955 57.139 1.00 96.79 C ATOM 101 O LYS 98 3.772 51.335 57.512 1.00 96.79 O ATOM 102 N PRO 99 2.889 53.004 56.373 1.00 88.18 N ATOM 103 CA PRO 99 4.197 53.442 55.985 1.00 88.18 C ATOM 104 CD PRO 99 1.886 53.338 55.376 1.00 88.18 C ATOM 105 CB PRO 99 3.983 54.466 54.877 1.00 88.18 C ATOM 106 CG PRO 99 2.657 54.019 54.234 1.00 88.18 C ATOM 107 C PRO 99 4.977 53.935 57.158 1.00 88.18 C ATOM 108 O PRO 99 6.202 53.823 57.166 1.00 88.18 O ATOM 109 N LYS 100 4.293 54.516 58.154 1.00110.57 N ATOM 110 CA LYS 100 4.986 54.987 59.311 1.00110.57 C ATOM 111 CB LYS 100 4.111 55.857 60.228 1.00110.57 C ATOM 112 CG LYS 100 3.847 57.237 59.616 1.00110.57 C ATOM 113 CD LYS 100 5.136 58.021 59.339 1.00110.57 C ATOM 114 CE LYS 100 4.947 59.258 58.455 1.00110.57 C ATOM 115 NZ LYS 100 4.310 60.346 59.227 1.00110.57 N ATOM 116 C LYS 100 5.493 53.798 60.059 1.00110.57 C ATOM 117 O LYS 100 6.559 53.845 60.670 1.00110.57 O ATOM 118 N LEU 101 4.729 52.691 60.040 1.00 39.75 N ATOM 119 CA LEU 101 5.150 51.509 60.732 1.00 39.75 C ATOM 120 CB LEU 101 4.127 50.358 60.674 0.50 39.75 C ATOM 121 CG LEU 101 4.609 49.097 61.414 0.50 39.75 C ATOM 122 CD1 LEU 101 4.814 49.384 62.908 0.50 39.75 C ATOM 123 CD2 LEU 101 3.681 47.900 61.161 0.50 39.75 C ATOM 124 C LEU 101 6.419 51.016 60.102 1.00 39.75 C ATOM 125 O LEU 101 7.348 50.618 60.801 1.00 39.75 O ATOM 126 N ASP 102 6.506 51.033 58.758 1.00 99.05 N ATOM 127 CA ASP 102 7.687 50.502 58.136 1.00 99.05 C ATOM 128 CB ASP 102 7.586 50.358 56.595 1.00 99.05 C ATOM 129 CG ASP 102 7.347 51.690 55.890 1.00 99.05 C ATOM 130 OD1 ASP 102 8.193 52.615 56.016 1.00 99.05 O ATOM 131 OD2 ASP 102 6.294 51.793 55.205 1.00 99.05 O ATOM 132 C ASP 102 8.897 51.307 58.519 1.00 99.05 C ATOM 133 O ASP 102 9.955 50.745 58.800 1.00 99.05 O ATOM 134 N VAL 103 8.768 52.646 58.562 1.00 29.89 N ATOM 135 CA VAL 103 9.863 53.516 58.898 1.00 29.89 C ATOM 136 CB VAL 103 9.483 54.963 58.780 1.00 29.89 C ATOM 137 CG1 VAL 103 10.662 55.823 59.261 1.00 29.89 C ATOM 138 CG2 VAL 103 9.059 55.232 57.326 1.00 29.89 C ATOM 139 C VAL 103 10.266 53.267 60.320 1.00 29.89 C ATOM 140 O VAL 103 11.451 53.213 60.640 1.00 29.89 O ATOM 141 N HIS 104 9.269 53.084 61.204 1.00 63.57 N ATOM 142 CA HIS 104 9.481 52.889 62.611 1.00 63.57 C ATOM 143 ND1 HIS 104 8.696 53.232 65.804 1.00 63.57 N ATOM 144 CG HIS 104 8.385 52.332 64.810 1.00 63.57 C ATOM 145 CB HIS 104 8.163 52.690 63.375 1.00 63.57 C ATOM 146 NE2 HIS 104 8.632 51.226 66.760 1.00 63.57 N ATOM 147 CD2 HIS 104 8.348 51.112 65.412 1.00 63.57 C ATOM 148 CE1 HIS 104 8.833 52.517 66.950 1.00 63.57 C ATOM 149 C HIS 104 10.306 51.660 62.845 1.00 63.57 C ATOM 150 O HIS 104 11.172 51.643 63.717 1.00 63.57 O ATOM 151 N ILE 105 10.074 50.605 62.049 1.00100.79 N ATOM 152 CA ILE 105 10.744 49.344 62.212 1.00100.79 C ATOM 153 CB ILE 105 10.357 48.357 61.145 1.00100.79 C ATOM 154 CG1 ILE 105 8.839 48.100 61.182 1.00100.79 C ATOM 155 CG2 ILE 105 11.207 47.090 61.331 1.00100.79 C ATOM 156 CD1 ILE 105 8.332 47.547 62.513 1.00100.79 C ATOM 157 C ILE 105 12.222 49.580 62.114 1.00100.79 C ATOM 158 O ILE 105 13.016 48.925 62.789 1.00100.79 O ATOM 159 N ARG 106 12.629 50.532 61.263 1.00161.89 N ATOM 160 CA ARG 106 14.013 50.825 61.047 1.00161.89 C ATOM 161 CB ARG 106 14.240 51.892 59.964 1.00161.89 C ATOM 162 CG ARG 106 14.191 51.297 58.556 1.00161.89 C ATOM 163 CD ARG 106 12.857 50.634 58.204 1.00161.89 C ATOM 164 NE ARG 106 12.102 51.566 57.321 1.00161.89 N ATOM 165 CZ ARG 106 12.308 51.547 55.972 1.00161.89 C ATOM 166 NH1 ARG 106 13.219 50.684 55.433 1.00161.89 N ATOM 167 NH2 ARG 106 11.610 52.394 55.161 1.00161.89 N ATOM 168 C ARG 106 14.648 51.271 62.325 1.00161.89 C ATOM 169 O ARG 106 15.853 51.118 62.493 1.00161.89 O ATOM 170 N ASP 107 13.891 51.866 63.261 1.00101.76 N ATOM 171 CA ASP 107 14.527 52.283 64.479 1.00101.76 C ATOM 172 CB ASP 107 13.547 52.933 65.473 1.00101.76 C ATOM 173 CG ASP 107 14.326 53.349 66.715 1.00101.76 C ATOM 174 OD1 ASP 107 14.633 52.462 67.556 1.00101.76 O ATOM 175 OD2 ASP 107 14.619 54.568 66.841 1.00101.76 O ATOM 176 C ASP 107 15.133 51.076 65.140 1.00101.76 C ATOM 177 O ASP 107 16.238 51.146 65.676 1.00101.76 O ATOM 178 N HIS 108 14.412 49.939 65.141 1.00 49.51 N ATOM 179 CA HIS 108 14.916 48.741 65.752 1.00 49.51 C ATOM 180 ND1 HIS 108 12.574 48.190 67.972 1.00 49.51 N ATOM 181 CG HIS 108 12.629 48.100 66.599 1.00 49.51 C ATOM 182 CB HIS 108 13.840 47.645 65.836 1.00 49.51 C ATOM 183 NE2 HIS 108 10.585 48.840 67.217 1.00 49.51 N ATOM 184 CD2 HIS 108 11.405 48.501 66.155 1.00 49.51 C ATOM 185 CE1 HIS 108 11.331 48.637 68.287 1.00 49.51 C ATOM 186 C HIS 108 16.076 48.185 64.972 1.00 49.51 C ATOM 187 O HIS 108 17.116 47.855 65.540 1.00 49.51 O ATOM 188 N THR 109 15.916 48.082 63.637 1.00 44.09 N ATOM 189 CA THR 109 16.865 47.493 62.725 1.00 44.09 C ATOM 190 CB THR 109 16.307 47.332 61.342 1.00 44.09 C ATOM 191 OG1 THR 109 16.004 48.601 60.782 1.00 44.09 O ATOM 192 CG2 THR 109 15.031 46.476 61.424 1.00 44.09 C ATOM 193 C THR 109 18.113 48.320 62.614 1.00 44.09 C ATOM 194 O THR 109 19.204 47.785 62.429 1.00 44.09 O ATOM 195 N ARG 110 17.983 49.651 62.745 1.00 63.23 N ATOM 196 CA ARG 110 19.056 50.583 62.538 1.00 63.23 C ATOM 197 CB ARG 110 20.360 50.253 63.293 1.00 63.23 C ATOM 198 CG ARG 110 20.321 50.594 64.784 1.00 63.23 C ATOM 199 CD ARG 110 21.667 50.409 65.494 1.00 63.23 C ATOM 200 NE ARG 110 21.470 50.725 66.938 1.00 63.23 N ATOM 201 CZ ARG 110 21.843 51.931 67.458 1.00 63.23 C ATOM 202 NH1 ARG 110 22.428 52.876 66.665 1.00 63.23 N ATOM 203 NH2 ARG 110 21.631 52.184 68.782 1.00 63.23 N ATOM 204 C ARG 110 19.361 50.645 61.077 1.00 63.23 C ATOM 205 O ARG 110 20.449 51.059 60.678 1.00 63.23 O ATOM 206 N GLU 111 18.383 50.263 60.234 1.00 46.78 N ATOM 207 CA GLU 111 18.581 50.400 58.825 1.00 46.78 C ATOM 208 CB GLU 111 17.380 49.895 58.003 1.00 46.78 C ATOM 209 CG GLU 111 17.590 49.922 56.487 1.00 46.78 C ATOM 210 CD GLU 111 16.372 49.274 55.840 1.00 46.78 C ATOM 211 OE1 GLU 111 15.615 48.581 56.569 1.00 46.78 O ATOM 212 OE2 GLU 111 16.188 49.453 54.608 1.00 46.78 O ATOM 213 C GLU 111 18.725 51.872 58.613 1.00 46.78 C ATOM 214 O GLU 111 17.975 52.657 59.191 1.00 46.78 O ATOM 215 N LYS 112 19.705 52.295 57.792 1.00 91.75 N ATOM 216 CA LYS 112 19.920 53.703 57.650 1.00 91.75 C ATOM 217 CB LYS 112 21.074 54.197 58.540 1.00 91.75 C ATOM 218 CG LYS 112 21.344 55.699 58.469 1.00 91.75 C ATOM 219 CD LYS 112 22.197 56.196 59.639 1.00 91.75 C ATOM 220 CE LYS 112 23.608 55.599 59.678 1.00 91.75 C ATOM 221 NZ LYS 112 24.353 56.139 60.838 1.00 91.75 N ATOM 222 C LYS 112 20.283 53.996 56.200 1.00 91.75 C ATOM 223 O LYS 112 21.104 53.234 55.624 1.00 91.75 O ATOM 224 OXT LYS 112 19.744 54.994 55.653 1.00 91.75 O