EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:04 REMARK 6 MODELLER OBJECTIVE FUNCTION: 92.7885 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1345.82861 REMARK 6 GA341 score: 0.98394 REMARK 6 Normalized DOPE score: 0.39285 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 130 -26.076 25.425 57.022 1.00 54.12 N ATOM 2 CA GLU 130 -25.109 26.542 56.954 1.00 54.12 C ATOM 3 CB GLU 130 -24.795 27.075 58.368 1.00 54.12 C ATOM 4 CG GLU 130 -24.214 26.022 59.317 1.00 54.12 C ATOM 5 CD GLU 130 -23.971 26.684 60.668 1.00 54.12 C ATOM 6 OE1 GLU 130 -23.886 27.939 60.705 1.00 54.12 O ATOM 7 OE2 GLU 130 -23.868 25.938 61.680 1.00 54.12 O ATOM 8 C GLU 130 -23.845 26.096 56.302 1.00 54.12 C ATOM 9 O GLU 130 -23.729 24.953 55.863 1.00 54.12 O ATOM 10 N ARG 131 -22.866 27.012 56.186 1.00159.05 N ATOM 11 CA ARG 131 -21.619 26.652 55.582 1.00159.05 C ATOM 12 CB ARG 131 -21.253 27.576 54.413 1.00159.05 C ATOM 13 CG ARG 131 -21.277 29.065 54.749 1.00159.05 C ATOM 14 CD ARG 131 -22.689 29.657 54.747 1.00159.05 C ATOM 15 NE ARG 131 -23.370 29.210 53.496 1.00159.05 N ATOM 16 CZ ARG 131 -23.150 29.848 52.308 1.00159.05 C ATOM 17 NH1 ARG 131 -22.248 30.867 52.229 1.00159.05 N ATOM 18 NH2 ARG 131 -23.839 29.453 51.197 1.00159.05 N ATOM 19 C ARG 131 -20.562 26.705 56.635 1.00159.05 C ATOM 20 O ARG 131 -20.075 27.762 57.034 1.00159.05 O ATOM 21 N PRO 132 -20.234 25.523 57.083 1.00107.20 N ATOM 22 CA PRO 132 -19.276 25.344 58.140 1.00107.20 C ATOM 23 CD PRO 132 -21.225 24.460 57.077 1.00107.20 C ATOM 24 CB PRO 132 -19.482 23.927 58.672 1.00107.20 C ATOM 25 CG PRO 132 -20.949 23.622 58.334 1.00107.20 C ATOM 26 C PRO 132 -17.848 25.604 57.799 1.00107.20 C ATOM 27 O PRO 132 -17.066 25.816 58.723 1.00107.20 O ATOM 28 N TYR 133 -17.461 25.593 56.512 1.00 61.27 N ATOM 29 CA TYR 133 -16.053 25.714 56.280 1.00 61.27 C ATOM 30 CB TYR 133 -15.502 24.699 55.263 1.00 61.27 C ATOM 31 CG TYR 133 -15.586 23.376 55.943 1.00 61.27 C ATOM 32 CD1 TYR 133 -14.599 22.990 56.820 1.00 61.27 C ATOM 33 CD2 TYR 133 -16.643 22.524 55.713 1.00 61.27 C ATOM 34 CE1 TYR 133 -14.664 21.776 57.461 1.00 61.27 C ATOM 35 CE2 TYR 133 -16.713 21.307 56.352 1.00 61.27 C ATOM 36 CZ TYR 133 -15.723 20.932 57.229 1.00 61.27 C ATOM 37 OH TYR 133 -15.788 19.687 57.890 1.00 61.27 O ATOM 38 C TYR 133 -15.727 27.090 55.818 1.00 61.27 C ATOM 39 O TYR 133 -16.175 27.539 54.764 1.00 61.27 O ATOM 40 N ALA 134 -14.914 27.799 56.628 1.00 33.16 N ATOM 41 CA ALA 134 -14.537 29.141 56.304 1.00 33.16 C ATOM 42 CB ALA 134 -14.746 30.135 57.459 1.00 33.16 C ATOM 43 C ALA 134 -13.082 29.152 55.960 1.00 33.16 C ATOM 44 O ALA 134 -12.280 28.437 56.562 1.00 33.16 O ATOM 45 N CYS 135 -12.715 29.953 54.936 1.00 42.87 N ATOM 46 CA CYS 135 -11.349 30.065 54.509 1.00 42.87 C ATOM 47 CB CYS 135 -11.177 30.700 53.116 1.00 42.87 C ATOM 48 SG CYS 135 -9.429 30.806 52.627 1.00 42.87 S ATOM 49 C CYS 135 -10.630 30.927 55.492 1.00 42.87 C ATOM 50 O CYS 135 -11.099 32.003 55.858 1.00 42.87 O ATOM 51 N GLN 136 -9.446 30.468 55.937 1.00 95.95 N ATOM 52 CA GLN 136 -8.712 31.172 56.945 1.00 95.95 C ATOM 53 CB GLN 136 -7.444 30.408 57.360 1.00 95.95 C ATOM 54 CG GLN 136 -6.449 30.202 56.214 1.00 95.95 C ATOM 55 CD GLN 136 -5.402 29.211 56.701 1.00 95.95 C ATOM 56 OE1 GLN 136 -4.687 28.599 55.909 1.00 95.95 O ATOM 57 NE2 GLN 136 -5.316 29.035 58.046 1.00 95.95 N ATOM 58 C GLN 136 -8.297 32.520 56.457 1.00 95.95 C ATOM 59 O GLN 136 -8.421 33.504 57.187 1.00 95.95 O ATOM 60 N LYS 137 -7.757 32.608 55.227 1.00118.74 N ATOM 61 CA LYS 137 -7.284 33.895 54.805 1.00118.74 C ATOM 62 CB LYS 137 -6.370 33.848 53.567 1.00118.74 C ATOM 63 CG LYS 137 -4.984 33.264 53.854 1.00118.74 C ATOM 64 CD LYS 137 -4.090 33.139 52.616 1.00118.74 C ATOM 65 CE LYS 137 -3.379 34.443 52.240 1.00118.74 C ATOM 66 NZ LYS 137 -2.483 34.220 51.082 1.00118.74 N ATOM 67 C LYS 137 -8.378 34.876 54.501 1.00118.74 C ATOM 68 O LYS 137 -8.422 35.962 55.078 1.00118.74 O ATOM 69 N TYR 138 -9.271 34.502 53.562 1.00113.78 N ATOM 70 CA TYR 138 -10.291 35.363 53.019 1.00113.78 C ATOM 71 CB TYR 138 -10.809 34.800 51.686 1.00113.78 C ATOM 72 CG TYR 138 -9.576 34.550 50.875 1.00113.78 C ATOM 73 CD1 TYR 138 -8.901 33.357 51.007 1.00113.78 C ATOM 74 CD2 TYR 138 -9.081 35.493 49.999 1.00113.78 C ATOM 75 CE1 TYR 138 -7.760 33.104 50.285 1.00113.78 C ATOM 76 CE2 TYR 138 -7.938 35.247 49.271 1.00113.78 C ATOM 77 CZ TYR 138 -7.276 34.050 49.415 1.00113.78 C ATOM 78 OH TYR 138 -6.103 33.788 48.677 1.00113.78 O ATOM 79 C TYR 138 -11.442 35.565 53.962 1.00113.78 C ATOM 80 O TYR 138 -11.936 36.680 54.119 1.00113.78 O ATOM 81 N GLY 139 -11.912 34.484 54.618 1.00 28.18 N ATOM 82 CA GLY 139 -13.022 34.598 55.524 1.00 28.18 C ATOM 83 C GLY 139 -14.292 34.149 54.856 1.00 28.18 C ATOM 84 O GLY 139 -15.347 34.120 55.488 1.00 28.18 O ATOM 85 N LYS 140 -14.239 33.778 53.563 1.00 86.88 N ATOM 86 CA LYS 140 -15.435 33.345 52.888 1.00 86.88 C ATOM 87 CB LYS 140 -15.259 33.234 51.364 1.00 86.88 C ATOM 88 CG LYS 140 -16.574 33.145 50.587 1.00 86.88 C ATOM 89 CD LYS 140 -16.398 33.253 49.069 1.00 86.88 C ATOM 90 CE LYS 140 -17.712 33.472 48.312 1.00 86.88 C ATOM 91 NZ LYS 140 -18.703 32.440 48.694 1.00 86.88 N ATOM 92 C LYS 140 -15.809 31.980 53.405 1.00 86.88 C ATOM 93 O LYS 140 -14.939 31.182 53.753 1.00 86.88 O ATOM 94 N SER 141 -17.129 31.674 53.460 1.00 96.50 N ATOM 95 CA SER 141 -17.581 30.410 53.990 1.00 96.50 C ATOM 96 CB SER 141 -18.590 30.567 55.140 1.00 96.50 C ATOM 97 OG SER 141 -19.697 31.348 54.719 1.00 96.50 O ATOM 98 C SER 141 -18.219 29.592 52.904 1.00 96.50 C ATOM 99 O SER 141 -18.812 30.129 51.970 1.00 96.50 O ATOM 100 N PHE 142 -18.103 28.247 53.010 1.00152.05 N ATOM 101 CA PHE 142 -18.599 27.384 51.974 1.00152.05 C ATOM 102 CB PHE 142 -17.480 26.743 51.135 1.00152.05 C ATOM 103 CG PHE 142 -16.852 27.823 50.323 1.00152.05 C ATOM 104 CD1 PHE 142 -15.794 28.548 50.824 1.00152.05 C ATOM 105 CD2 PHE 142 -17.325 28.117 49.065 1.00152.05 C ATOM 106 CE1 PHE 142 -15.216 29.548 50.078 1.00152.05 C ATOM 107 CE2 PHE 142 -16.749 29.116 48.315 1.00152.05 C ATOM 108 CZ PHE 142 -15.691 29.833 48.820 1.00152.05 C ATOM 109 C PHE 142 -19.402 26.260 52.546 1.00152.05 C ATOM 110 O PHE 142 -19.234 25.846 53.691 1.00152.05 O ATOM 111 N TYR 143 -20.338 25.776 51.709 1.00100.21 N ATOM 112 CA TYR 143 -21.225 24.687 51.975 1.00100.21 C ATOM 113 CB TYR 143 -22.236 24.519 50.825 1.00100.21 C ATOM 114 CG TYR 143 -23.020 23.271 51.026 1.00100.21 C ATOM 115 CD1 TYR 143 -24.076 23.237 51.905 1.00100.21 C ATOM 116 CD2 TYR 143 -22.706 22.137 50.312 1.00100.21 C ATOM 117 CE1 TYR 143 -24.796 22.081 52.086 1.00100.21 C ATOM 118 CE2 TYR 143 -23.422 20.977 50.487 1.00100.21 C ATOM 119 CZ TYR 143 -24.469 20.950 51.376 1.00100.21 C ATOM 120 OH TYR 143 -25.208 19.763 51.563 1.00100.21 O ATOM 121 C TYR 143 -20.426 23.425 52.087 1.00100.21 C ATOM 122 O TYR 143 -20.690 22.597 52.960 1.00100.21 O ATOM 123 N THR 144 -19.425 23.235 51.200 1.00102.64 N ATOM 124 CA THR 144 -18.707 21.991 51.247 1.00102.64 C ATOM 125 CB THR 144 -18.933 21.105 50.059 1.00102.64 C ATOM 126 OG1 THR 144 -18.329 19.842 50.293 1.00102.64 O ATOM 127 CG2 THR 144 -18.319 21.757 48.807 1.00102.64 C ATOM 128 C THR 144 -17.235 22.219 51.320 1.00102.64 C ATOM 129 O THR 144 -16.715 23.247 50.889 1.00102.64 O ATOM 130 N THR 145 -16.530 21.213 51.876 1.00 97.96 N ATOM 131 CA THR 145 -15.109 21.231 52.054 1.00 97.96 C ATOM 132 CB THR 145 -14.604 20.018 52.777 1.00 97.96 C ATOM 133 OG1 THR 145 -14.895 18.845 52.030 1.00 97.96 O ATOM 134 CG2 THR 145 -15.280 19.951 54.155 1.00 97.96 C ATOM 135 C THR 145 -14.450 21.262 50.710 1.00 97.96 C ATOM 136 O THR 145 -13.471 21.979 50.513 1.00 97.96 O ATOM 137 N GLY 146 -14.983 20.500 49.737 1.00 17.56 N ATOM 138 CA GLY 146 -14.347 20.419 48.454 1.00 17.56 C ATOM 139 C GLY 146 -14.293 21.780 47.837 1.00 17.56 C ATOM 140 O GLY 146 -13.291 22.150 47.225 1.00 17.56 O ATOM 141 N ASN 147 -15.380 22.561 47.961 1.00 29.60 N ATOM 142 CA ASN 147 -15.405 23.867 47.374 1.00 29.60 C ATOM 143 CB ASN 147 -16.764 24.572 47.526 1.00 29.60 C ATOM 144 CG ASN 147 -17.777 23.851 46.649 1.00 29.60 C ATOM 145 OD1 ASN 147 -17.416 23.170 45.691 1.00 29.60 O ATOM 146 ND2 ASN 147 -19.085 24.012 46.981 1.00 29.60 N ATOM 147 C ASN 147 -14.382 24.726 48.050 1.00 29.60 C ATOM 148 O ASN 147 -13.672 25.490 47.399 1.00 29.60 O ATOM 149 N LEU 148 -14.271 24.617 49.385 1.00104.09 N ATOM 150 CA LEU 148 -13.366 25.452 50.117 1.00104.09 C ATOM 151 CB LEU 148 -13.459 25.197 51.635 1.00104.09 C ATOM 152 CG LEU 148 -12.645 26.150 52.536 1.00104.09 C ATOM 153 CD1 LEU 148 -11.130 25.974 52.351 1.00104.09 C ATOM 154 CD2 LEU 148 -13.099 27.609 52.376 1.00104.09 C ATOM 155 C LEU 148 -11.974 25.150 49.653 1.00104.09 C ATOM 156 O LEU 148 -11.174 26.057 49.430 1.00104.09 O ATOM 157 N ALA 149 -11.656 23.858 49.457 1.00 27.58 N ATOM 158 CA ALA 149 -10.319 23.490 49.086 1.00 27.58 C ATOM 159 CB ALA 149 -10.151 21.970 48.916 1.00 27.58 C ATOM 160 C ALA 149 -9.973 24.130 47.778 1.00 27.58 C ATOM 161 O ALA 149 -8.888 24.690 47.621 1.00 27.58 O ATOM 162 N ALA 150 -10.898 24.088 46.804 1.00 18.29 N ATOM 163 CA ALA 150 -10.615 24.658 45.518 1.00 18.29 C ATOM 164 CB ALA 150 -11.768 24.477 44.519 1.00 18.29 C ATOM 165 C ALA 150 -10.403 26.127 45.690 1.00 18.29 C ATOM 166 O ALA 150 -9.501 26.715 45.094 1.00 18.29 O ATOM 167 N HIS 151 -11.233 26.751 46.543 1.00 48.82 N ATOM 168 CA HIS 151 -11.184 28.167 46.747 1.00 48.82 C ATOM 169 ND1 HIS 151 -12.488 31.108 47.213 1.00 48.82 N ATOM 170 CG HIS 151 -12.162 30.096 48.090 1.00 48.82 C ATOM 171 CB HIS 151 -12.233 28.633 47.774 1.00 48.82 C ATOM 172 NE2 HIS 151 -11.877 32.084 49.118 1.00 48.82 N ATOM 173 CD2 HIS 151 -11.790 30.710 49.245 1.00 48.82 C ATOM 174 CE1 HIS 151 -12.300 32.275 47.880 1.00 48.82 C ATOM 175 C HIS 151 -9.839 28.557 47.260 1.00 48.82 C ATOM 176 O HIS 151 -9.229 29.499 46.755 1.00 48.82 O ATOM 177 N MET 152 -9.322 27.842 48.273 1.00 69.98 N ATOM 178 CA MET 152 -8.050 28.245 48.795 1.00 69.98 C ATOM 179 CB MET 152 -7.798 27.778 50.239 1.00 69.98 C ATOM 180 CG MET 152 -7.450 26.296 50.369 1.00 69.98 C ATOM 181 SD MET 152 -7.156 25.762 52.081 1.00 69.98 S ATOM 182 CE MET 152 -5.816 26.947 52.389 1.00 69.98 C ATOM 183 C MET 152 -6.955 27.663 47.914 1.00 69.98 C ATOM 184 O MET 152 -5.759 27.917 48.225 1.00 69.98 O ATOM 185 OXT MET 152 -7.295 26.962 46.924 1.00 69.98 O