EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:08:24 REMARK 6 MODELLER OBJECTIVE FUNCTION: 104.2139 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1397.30054 REMARK 6 GA341 score: 0.87565 REMARK 6 Normalized DOPE score: 0.04232 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 43.5% ATOM 1 N LYS 149 -5.418 20.771 53.128 1.00 86.46 N ATOM 2 CA LYS 149 -6.493 21.539 53.791 1.00 86.46 C ATOM 3 CB LYS 149 -7.821 20.759 53.749 1.00 86.46 C ATOM 4 CG LYS 149 -8.309 20.392 52.340 1.00 86.46 C ATOM 5 CD LYS 149 -7.463 19.292 51.693 1.00 86.46 C ATOM 6 CE LYS 149 -7.956 18.816 50.324 1.00 86.46 C ATOM 7 NZ LYS 149 -7.071 17.744 49.818 1.00 86.46 N ATOM 8 C LYS 149 -6.130 21.741 55.223 1.00 86.46 C ATOM 9 O LYS 149 -5.087 22.312 55.539 1.00 86.46 O ATOM 10 N LYS 150 -7.012 21.288 56.136 1.00 55.73 N ATOM 11 CA LYS 150 -6.727 21.415 57.534 1.00 55.73 C ATOM 12 CB LYS 150 -7.653 22.430 58.226 1.00 55.73 C ATOM 13 CG LYS 150 -7.459 23.844 57.665 1.00 55.73 C ATOM 14 CD LYS 150 -8.591 24.826 57.976 1.00 55.73 C ATOM 15 CE LYS 150 -8.402 26.198 57.319 1.00 55.73 C ATOM 16 NZ LYS 150 -9.616 27.024 57.514 1.00 55.73 N ATOM 17 C LYS 150 -6.923 20.062 58.149 1.00 55.73 C ATOM 18 O LYS 150 -8.037 19.589 58.353 1.00 55.73 O ATOM 19 N PRO 151 -5.809 19.435 58.404 1.00114.42 N ATOM 20 CA PRO 151 -5.732 18.107 58.949 1.00114.42 C ATOM 21 CD PRO 151 -4.542 19.894 57.872 1.00114.42 C ATOM 22 CB PRO 151 -4.285 17.659 58.733 1.00114.42 C ATOM 23 CG PRO 151 -3.503 18.963 58.512 1.00114.42 C ATOM 24 C PRO 151 -6.155 17.946 60.374 1.00114.42 C ATOM 25 O PRO 151 -6.573 16.846 60.732 1.00114.42 O ATOM 26 N PHE 152 -6.061 18.993 61.217 1.00 59.96 N ATOM 27 CA PHE 152 -6.328 18.725 62.601 1.00 59.96 C ATOM 28 CB PHE 152 -5.260 19.290 63.552 1.00 59.96 C ATOM 29 CG PHE 152 -3.995 18.590 63.184 1.00 59.96 C ATOM 30 CD1 PHE 152 -3.760 17.297 63.592 1.00 59.96 C ATOM 31 CD2 PHE 152 -3.046 19.228 62.418 1.00 59.96 C ATOM 32 CE1 PHE 152 -2.595 16.651 63.251 1.00 59.96 C ATOM 33 CE2 PHE 152 -1.879 18.587 62.075 1.00 59.96 C ATOM 34 CZ PHE 152 -1.652 17.297 62.490 1.00 59.96 C ATOM 35 C PHE 152 -7.662 19.282 62.981 1.00 59.96 C ATOM 36 O PHE 152 -7.948 20.458 62.757 1.00 59.96 O ATOM 37 N THR 153 -8.509 18.430 63.592 1.00102.69 N ATOM 38 CA THR 153 -9.831 18.847 63.956 1.00102.69 C ATOM 39 CB THR 153 -10.913 17.933 63.457 1.00102.69 C ATOM 40 OG1 THR 153 -12.187 18.492 63.744 1.00102.69 O ATOM 41 CG2 THR 153 -10.766 16.556 64.128 1.00102.69 C ATOM 42 C THR 153 -9.957 18.899 65.446 1.00102.69 C ATOM 43 O THR 153 -9.406 18.073 66.171 1.00102.69 O ATOM 44 N CYS 154 -10.696 19.923 65.926 1.00 44.94 N ATOM 45 CA CYS 154 -10.962 20.101 67.326 1.00 44.94 C ATOM 46 CB CYS 154 -11.480 21.507 67.668 1.00 44.94 C ATOM 47 SG CYS 154 -11.813 21.734 69.444 1.00 44.94 S ATOM 48 C CYS 154 -12.034 19.125 67.694 1.00 44.94 C ATOM 49 O CYS 154 -13.042 19.011 67.005 1.00 44.94 O ATOM 50 N THR 155 -11.844 18.390 68.808 1.00107.65 N ATOM 51 CA THR 155 -12.814 17.406 69.193 1.00107.65 C ATOM 52 CB THR 155 -12.366 16.562 70.355 1.00107.65 C ATOM 53 OG1 THR 155 -13.322 15.545 70.624 1.00107.65 O ATOM 54 CG2 THR 155 -12.165 17.462 71.585 1.00107.65 C ATOM 55 C THR 155 -14.115 18.058 69.553 1.00107.65 C ATOM 56 O THR 155 -15.175 17.572 69.160 1.00107.65 O ATOM 57 N GLN 156 -14.079 19.156 70.338 1.00 97.95 N ATOM 58 CA GLN 156 -15.325 19.741 70.761 1.00 97.95 C ATOM 59 CB GLN 156 -15.158 20.814 71.855 1.00 97.95 C ATOM 60 CG GLN 156 -14.644 20.282 73.192 1.00 97.95 C ATOM 61 CD GLN 156 -13.136 20.150 73.080 1.00 97.95 C ATOM 62 OE1 GLN 156 -12.537 20.586 72.098 1.00 97.95 O ATOM 63 NE2 GLN 156 -12.499 19.551 74.121 1.00 97.95 N ATOM 64 C GLN 156 -16.086 20.414 69.650 1.00 97.95 C ATOM 65 O GLN 156 -17.222 20.038 69.364 1.00 97.95 O ATOM 66 N CYS 157 -15.470 21.430 69.005 1.00 69.19 N ATOM 67 CA CYS 157 -16.099 22.249 67.993 1.00 69.19 C ATOM 68 CB CYS 157 -15.442 23.634 67.835 1.00 69.19 C ATOM 69 SG CYS 157 -13.703 23.582 67.321 1.00 69.19 S ATOM 70 C CYS 157 -16.176 21.583 66.650 1.00 69.19 C ATOM 71 O CYS 157 -17.102 21.841 65.880 1.00 69.19 O ATOM 72 N ARG 158 -15.207 20.702 66.335 1.00145.51 N ATOM 73 CA ARG 158 -15.116 20.045 65.058 1.00145.51 C ATOM 74 CB ARG 158 -16.476 19.525 64.547 1.00145.51 C ATOM 75 CG ARG 158 -16.387 18.624 63.310 1.00145.51 C ATOM 76 CD ARG 158 -17.739 18.384 62.629 1.00145.51 C ATOM 77 NE ARG 158 -17.571 17.276 61.647 1.00145.51 N ATOM 78 CZ ARG 158 -17.858 15.993 62.020 1.00145.51 C ATOM 79 NH1 ARG 158 -18.361 15.738 63.262 1.00145.51 N ATOM 80 NH2 ARG 158 -17.652 14.967 61.145 1.00145.51 N ATOM 81 C ARG 158 -14.571 20.997 64.030 1.00145.51 C ATOM 82 O ARG 158 -14.640 20.721 62.832 1.00145.51 O ATOM 83 N LYS 159 -13.986 22.134 64.459 1.00 93.34 N ATOM 84 CA LYS 159 -13.402 23.024 63.494 1.00 93.34 C ATOM 85 CB LYS 159 -13.298 24.481 63.978 1.00 93.34 C ATOM 86 CG LYS 159 -12.993 25.460 62.843 1.00 93.34 C ATOM 87 CD LYS 159 -13.405 26.905 63.141 1.00 93.34 C ATOM 88 CE LYS 159 -12.287 27.795 63.681 1.00 93.34 C ATOM 89 NZ LYS 159 -12.744 29.200 63.739 1.00 93.34 N ATOM 90 C LYS 159 -12.033 22.501 63.161 1.00 93.34 C ATOM 91 O LYS 159 -11.377 21.888 64.004 1.00 93.34 O ATOM 92 N SER 160 -11.560 22.726 61.916 1.00 52.21 N ATOM 93 CA SER 160 -10.294 22.157 61.529 1.00 52.21 C ATOM 94 CB SER 160 -10.363 21.316 60.244 1.00 52.21 C ATOM 95 OG SER 160 -11.176 20.171 60.448 1.00 52.21 O ATOM 96 C SER 160 -9.294 23.243 61.282 1.00 52.21 C ATOM 97 O SER 160 -9.649 24.354 60.888 1.00 52.21 O ATOM 98 N PHE 161 -8.000 22.928 61.512 1.00152.53 N ATOM 99 CA PHE 161 -6.951 23.895 61.341 1.00152.53 C ATOM 100 CB PHE 161 -6.377 24.407 62.670 1.00152.53 C ATOM 101 CG PHE 161 -7.441 25.227 63.301 1.00152.53 C ATOM 102 CD1 PHE 161 -8.425 24.628 64.050 1.00152.53 C ATOM 103 CD2 PHE 161 -7.464 26.588 63.125 1.00152.53 C ATOM 104 CE1 PHE 161 -9.414 25.384 64.632 1.00152.53 C ATOM 105 CE2 PHE 161 -8.451 27.349 63.707 1.00152.53 C ATOM 106 CZ PHE 161 -9.427 26.749 64.465 1.00152.53 C ATOM 107 C PHE 161 -5.820 23.292 60.574 1.00152.53 C ATOM 108 O PHE 161 -5.605 22.080 60.569 1.00152.53 O ATOM 109 N GLY 162 -5.090 24.167 59.857 1.00 30.63 N ATOM 110 CA GLY 162 -3.949 23.802 59.073 1.00 30.63 C ATOM 111 C GLY 162 -2.823 23.373 59.964 1.00 30.63 C ATOM 112 O GLY 162 -2.076 22.461 59.615 1.00 30.63 O ATOM 113 N LEU 163 -2.656 24.041 61.130 1.00 87.45 N ATOM 114 CA LEU 163 -1.514 23.797 61.976 1.00 87.45 C ATOM 115 CB LEU 163 -0.773 25.086 62.368 1.00 87.45 C ATOM 116 CG LEU 163 -0.180 25.847 61.174 1.00 87.45 C ATOM 117 CD1 LEU 163 -1.286 26.353 60.237 1.00 87.45 C ATOM 118 CD2 LEU 163 0.773 26.957 61.639 1.00 87.45 C ATOM 119 C LEU 163 -1.928 23.174 63.271 1.00 87.45 C ATOM 120 O LEU 163 -2.965 23.515 63.835 1.00 87.45 O ATOM 121 N SER 164 -1.097 22.242 63.782 1.00 65.63 N ATOM 122 CA SER 164 -1.345 21.566 65.025 1.00 65.63 C ATOM 123 CB SER 164 -0.285 20.491 65.326 1.00 65.63 C ATOM 124 OG SER 164 -0.565 19.843 66.557 1.00 65.63 O ATOM 125 C SER 164 -1.305 22.557 66.148 1.00 65.63 C ATOM 126 O SER 164 -2.156 22.534 67.036 1.00 65.63 O ATOM 127 N SER 165 -0.316 23.469 66.135 1.00 73.86 N ATOM 128 CA SER 165 -0.161 24.409 67.209 1.00 73.86 C ATOM 129 CB SER 165 1.099 25.277 67.071 1.00 73.86 C ATOM 130 OG SER 165 2.256 24.474 67.246 1.00 73.86 O ATOM 131 C SER 165 -1.334 25.335 67.258 1.00 73.86 C ATOM 132 O SER 165 -1.771 25.736 68.336 1.00 73.86 O ATOM 133 N ASN 166 -1.871 25.706 66.084 1.00 68.36 N ATOM 134 CA ASN 166 -2.967 26.625 66.073 1.00 68.36 C ATOM 135 CB ASN 166 -3.370 27.072 64.659 1.00 68.36 C ATOM 136 CG ASN 166 -4.117 28.383 64.826 1.00 68.36 C ATOM 137 OD1 ASN 166 -4.568 28.711 65.923 1.00 68.36 O ATOM 138 ND2 ASN 166 -4.243 29.161 63.718 1.00 68.36 N ATOM 139 C ASN 166 -4.141 25.960 66.719 1.00 68.36 C ATOM 140 O ASN 166 -4.882 26.585 67.475 1.00 68.36 O ATOM 141 N LEU 167 -4.334 24.657 66.437 1.00106.69 N ATOM 142 CA LEU 167 -5.437 23.926 66.990 1.00106.69 C ATOM 143 CB LEU 167 -5.517 22.484 66.440 1.00106.69 C ATOM 144 CG LEU 167 -6.703 21.635 66.949 1.00106.69 C ATOM 145 CD1 LEU 167 -6.562 21.244 68.431 1.00106.69 C ATOM 146 CD2 LEU 167 -8.044 22.309 66.637 1.00106.69 C ATOM 147 C LEU 167 -5.255 23.879 68.478 1.00106.69 C ATOM 148 O LEU 167 -6.218 24.007 69.230 1.00106.69 O ATOM 149 N ILE 168 -4.007 23.712 68.949 1.00 81.90 N ATOM 150 CA ILE 168 -3.770 23.596 70.358 1.00 81.90 C ATOM 151 CB ILE 168 -2.311 23.411 70.660 1.00 81.90 C ATOM 152 CG1 ILE 168 -1.788 22.142 69.968 1.00 81.90 C ATOM 153 CG2 ILE 168 -2.132 23.396 72.186 1.00 81.90 C ATOM 154 CD1 ILE 168 -2.522 20.875 70.399 1.00 81.90 C ATOM 155 C ILE 168 -4.228 24.856 71.028 1.00 81.90 C ATOM 156 O ILE 168 -4.919 24.811 72.046 1.00 81.90 O ATOM 157 N LYS 169 -3.867 26.026 70.470 1.00 95.37 N ATOM 158 CA LYS 169 -4.249 27.270 71.072 1.00 95.37 C ATOM 159 CB LYS 169 -3.619 28.489 70.373 1.00 95.37 C ATOM 160 CG LYS 169 -3.893 29.808 71.102 1.00 95.37 C ATOM 161 CD LYS 169 -3.207 29.912 72.470 1.00 95.37 C ATOM 162 CE LYS 169 -3.648 31.117 73.302 1.00 95.37 C ATOM 163 NZ LYS 169 -2.960 31.119 74.609 1.00 95.37 N ATOM 164 C LYS 169 -5.741 27.398 71.020 1.00 95.37 C ATOM 165 O LYS 169 -6.374 27.830 71.982 1.00 95.37 O ATOM 166 N HIS 170 -6.345 26.999 69.887 1.00 44.35 N ATOM 167 CA HIS 170 -7.767 27.088 69.719 1.00 44.35 C ATOM 168 ND1 HIS 170 -10.392 27.791 67.909 1.00 44.35 N ATOM 169 CG HIS 170 -9.689 26.622 68.096 1.00 44.35 C ATOM 170 CB HIS 170 -8.213 26.543 68.348 1.00 44.35 C ATOM 171 NE2 HIS 170 -11.862 26.133 67.731 1.00 44.35 N ATOM 172 CD2 HIS 170 -10.604 25.620 67.985 1.00 44.35 C ATOM 173 CE1 HIS 170 -11.685 27.442 67.694 1.00 44.35 C ATOM 174 C HIS 170 -8.401 26.250 70.775 1.00 44.35 C ATOM 175 O HIS 170 -9.350 26.680 71.433 1.00 44.35 O ATOM 176 N MET 171 -7.880 25.030 70.979 1.00 72.39 N ATOM 177 CA MET 171 -8.429 24.155 71.969 1.00 72.39 C ATOM 178 CB MET 171 -7.727 22.789 71.993 1.00 72.39 C ATOM 179 CG MET 171 -8.488 21.710 72.763 1.00 72.39 C ATOM 180 SD MET 171 -7.737 20.056 72.665 1.00 72.39 S ATOM 181 CE MET 171 -9.131 19.198 73.451 1.00 72.39 C ATOM 182 C MET 171 -8.206 24.833 73.312 1.00 72.39 C ATOM 183 O MET 171 -9.216 25.120 74.008 1.00 72.39 O ATOM 184 OXT MET 171 -7.019 25.081 73.654 1.00 72.39 O