EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:42 REMARK 6 MODELLER OBJECTIVE FUNCTION: 92.7419 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.381 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1249.92969 REMARK 6 GA341 score: 0.73416 REMARK 6 Normalized DOPE score: -1.04602 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 52.4% ATOM 1 N GLU 165 -26.196 29.960 49.232 1.00 33.49 N ATOM 2 CA GLU 165 -25.684 30.206 50.600 1.00 33.49 C ATOM 3 CB GLU 165 -26.856 30.252 51.601 1.00 33.49 C ATOM 4 CG GLU 165 -26.488 30.688 53.023 1.00 33.49 C ATOM 5 CD GLU 165 -27.789 30.782 53.815 1.00 33.49 C ATOM 6 OE1 GLU 165 -28.649 29.877 53.642 1.00 33.49 O ATOM 7 OE2 GLU 165 -27.946 31.757 54.597 1.00 33.49 O ATOM 8 C GLU 165 -24.732 29.123 50.982 1.00 33.49 C ATOM 9 O GLU 165 -24.739 28.040 50.397 1.00 33.49 O ATOM 10 N LYS 166 -23.856 29.407 51.963 1.00118.54 N ATOM 11 CA LYS 166 -22.892 28.428 52.371 1.00118.54 C ATOM 12 CB LYS 166 -21.472 28.998 52.491 1.00118.54 C ATOM 13 CG LYS 166 -20.937 29.609 51.196 1.00118.54 C ATOM 14 CD LYS 166 -21.682 30.876 50.766 1.00118.54 C ATOM 15 CE LYS 166 -21.009 31.625 49.613 1.00118.54 C ATOM 16 NZ LYS 166 -20.944 30.764 48.411 1.00118.54 N ATOM 17 C LYS 166 -23.276 28.022 53.749 1.00118.54 C ATOM 18 O LYS 166 -22.960 28.707 54.720 1.00118.54 O ATOM 19 N PRO 167 -23.946 26.920 53.856 1.00121.78 N ATOM 20 CA PRO 167 -24.402 26.467 55.138 1.00121.78 C ATOM 21 CD PRO 167 -24.797 26.447 52.780 1.00121.78 C ATOM 22 CB PRO 167 -25.460 25.394 54.856 1.00121.78 C ATOM 23 CG PRO 167 -25.371 25.138 53.338 1.00121.78 C ATOM 24 C PRO 167 -23.332 26.024 56.079 1.00121.78 C ATOM 25 O PRO 167 -23.543 26.104 57.289 1.00121.78 O ATOM 26 N PHE 168 -22.175 25.563 55.577 1.00117.83 N ATOM 27 CA PHE 168 -21.232 25.028 56.510 1.00117.83 C ATOM 28 CB PHE 168 -20.734 23.637 56.098 1.00117.83 C ATOM 29 CG PHE 168 -21.894 22.747 56.375 1.00117.83 C ATOM 30 CD1 PHE 168 -22.914 22.594 55.463 1.00117.83 C ATOM 31 CD2 PHE 168 -21.970 22.087 57.578 1.00117.83 C ATOM 32 CE1 PHE 168 -23.985 21.779 55.746 1.00117.83 C ATOM 33 CE2 PHE 168 -23.036 21.271 57.866 1.00117.83 C ATOM 34 CZ PHE 168 -24.044 21.113 56.947 1.00117.83 C ATOM 35 C PHE 168 -20.079 25.953 56.684 1.00117.83 C ATOM 36 O PHE 168 -19.430 26.354 55.719 1.00117.83 O ATOM 37 N THR 169 -19.790 26.311 57.952 1.00104.88 N ATOM 38 CA THR 169 -18.706 27.210 58.200 1.00104.88 C ATOM 39 CB THR 169 -19.110 28.463 58.920 1.00104.88 C ATOM 40 OG1 THR 169 -19.588 28.152 60.220 1.00104.88 O ATOM 41 CG2 THR 169 -20.205 29.166 58.098 1.00104.88 C ATOM 42 C THR 169 -17.693 26.516 59.051 1.00104.88 C ATOM 43 O THR 169 -18.028 25.753 59.956 1.00104.88 O ATOM 44 N CYS 170 -16.407 26.758 58.731 1.00 42.37 N ATOM 45 CA CYS 170 -15.296 26.207 59.454 1.00 42.37 C ATOM 46 CB CYS 170 -13.987 26.263 58.648 1.00 42.37 C ATOM 47 SG CYS 170 -12.568 25.572 59.546 1.00 42.37 S ATOM 48 C CYS 170 -15.095 27.020 60.697 1.00 42.37 C ATOM 49 O CYS 170 -15.029 28.246 60.655 1.00 42.37 O ATOM 50 N THR 171 -14.983 26.343 61.852 1.00110.65 N ATOM 51 CA THR 171 -14.808 27.042 63.092 1.00110.65 C ATOM 52 CB THR 171 -14.913 26.138 64.278 1.00110.65 C ATOM 53 OG1 THR 171 -13.892 25.153 64.232 1.00110.65 O ATOM 54 CG2 THR 171 -16.300 25.473 64.243 1.00110.65 C ATOM 55 C THR 171 -13.468 27.713 63.124 1.00110.65 C ATOM 56 O THR 171 -13.336 28.817 63.652 1.00110.65 O ATOM 57 N GLN 172 -12.425 27.042 62.596 1.00111.02 N ATOM 58 CA GLN 172 -11.101 27.597 62.674 1.00111.02 C ATOM 59 CB GLN 172 -10.062 26.634 62.086 1.00111.02 C ATOM 60 CG GLN 172 -9.990 25.275 62.779 1.00111.02 C ATOM 61 CD GLN 172 -9.095 24.400 61.917 1.00111.02 C ATOM 62 OE1 GLN 172 -8.807 24.738 60.770 1.00111.02 O ATOM 63 NE2 GLN 172 -8.641 23.247 62.478 1.00111.02 N ATOM 64 C GLN 172 -10.960 28.847 61.854 1.00111.02 C ATOM 65 O GLN 172 -10.681 29.920 62.388 1.00111.02 O ATOM 66 N CYS 173 -11.137 28.707 60.519 1.00 92.58 N ATOM 67 CA CYS 173 -10.982 29.766 59.553 1.00 92.58 C ATOM 68 CB CYS 173 -10.844 29.240 58.113 1.00 92.58 C ATOM 69 SG CYS 173 -10.652 30.580 56.902 1.00 92.58 S ATOM 70 C CYS 173 -12.135 30.722 59.559 1.00 92.58 C ATOM 71 O CYS 173 -11.945 31.937 59.528 1.00 92.58 O ATOM 72 N GLY 174 -13.372 30.190 59.605 1.00 28.13 N ATOM 73 CA GLY 174 -14.541 31.018 59.537 1.00 28.13 C ATOM 74 C GLY 174 -15.020 31.050 58.115 1.00 28.13 C ATOM 75 O GLY 174 -16.024 31.693 57.810 1.00 28.13 O ATOM 76 N LYS 175 -14.315 30.356 57.199 1.00112.81 N ATOM 77 CA LYS 175 -14.736 30.366 55.829 1.00112.81 C ATOM 78 CB LYS 175 -13.627 29.954 54.841 1.00112.81 C ATOM 79 CG LYS 175 -13.949 30.283 53.381 1.00112.81 C ATOM 80 CD LYS 175 -12.704 30.444 52.499 1.00112.81 C ATOM 81 CE LYS 175 -11.896 29.166 52.268 1.00112.81 C ATOM 82 NZ LYS 175 -12.363 28.486 51.040 1.00112.81 N ATOM 83 C LYS 175 -15.918 29.457 55.697 1.00112.81 C ATOM 84 O LYS 175 -16.054 28.480 56.432 1.00112.81 O ATOM 85 N SER 176 -16.826 29.774 54.751 1.00 98.15 N ATOM 86 CA SER 176 -18.026 29.002 54.612 1.00 98.15 C ATOM 87 CB SER 176 -19.300 29.860 54.659 1.00 98.15 C ATOM 88 OG SER 176 -19.248 30.858 53.652 1.00 98.15 O ATOM 89 C SER 176 -17.987 28.278 53.308 1.00 98.15 C ATOM 90 O SER 176 -17.373 28.733 52.344 1.00 98.15 O ATOM 91 N PHE 177 -18.646 27.101 53.256 1.00139.57 N ATOM 92 CA PHE 177 -18.571 26.306 52.067 1.00139.57 C ATOM 93 CB PHE 177 -17.777 25.008 52.284 1.00139.57 C ATOM 94 CG PHE 177 -16.388 25.405 52.655 1.00139.57 C ATOM 95 CD1 PHE 177 -16.072 25.677 53.968 1.00139.57 C ATOM 96 CD2 PHE 177 -15.405 25.525 51.699 1.00139.57 C ATOM 97 CE1 PHE 177 -14.797 26.049 54.327 1.00139.57 C ATOM 98 CE2 PHE 177 -14.128 25.895 52.052 1.00139.57 C ATOM 99 CZ PHE 177 -13.821 26.156 53.367 1.00139.57 C ATOM 100 C PHE 177 -19.945 25.923 51.630 1.00139.57 C ATOM 101 O PHE 177 -20.867 25.777 52.431 1.00139.57 O ATOM 102 N ASN 178 -20.107 25.796 50.299 1.00100.93 N ATOM 103 CA ASN 178 -21.344 25.403 49.701 1.00100.93 C ATOM 104 CB ASN 178 -21.365 25.612 48.177 1.00100.93 C ATOM 105 CG ASN 178 -22.820 25.611 47.730 1.00100.93 C ATOM 106 OD1 ASN 178 -23.591 24.716 48.071 1.00100.93 O ATOM 107 ND2 ASN 178 -23.208 26.659 46.955 1.00100.93 N ATOM 108 C ASN 178 -21.567 23.948 49.964 1.00100.93 C ATOM 109 O ASN 178 -22.706 23.523 50.154 1.00100.93 O ATOM 110 N HIS 179 -20.482 23.142 49.980 1.00 53.62 N ATOM 111 CA HIS 179 -20.667 21.722 50.113 1.00 53.62 C ATOM 112 ND1 HIS 179 -21.427 21.143 47.009 1.00 53.62 N ATOM 113 CG HIS 179 -20.210 21.286 47.636 1.00 53.62 C ATOM 114 CB HIS 179 -19.923 20.893 49.054 1.00 53.62 C ATOM 115 NE2 HIS 179 -20.034 22.005 45.504 1.00 53.62 N ATOM 116 CD2 HIS 179 -19.371 21.814 46.704 1.00 53.62 C ATOM 117 CE1 HIS 179 -21.265 21.588 45.736 1.00 53.62 C ATOM 118 C HIS 179 -20.111 21.258 51.420 1.00 53.62 C ATOM 119 O HIS 179 -19.037 21.678 51.849 1.00 53.62 O ATOM 120 N PRO 180 -20.845 20.390 52.065 1.00127.95 N ATOM 121 CA PRO 180 -20.405 19.842 53.316 1.00127.95 C ATOM 122 CD PRO 180 -22.293 20.404 51.955 1.00127.95 C ATOM 123 CB PRO 180 -21.614 19.127 53.909 1.00127.95 C ATOM 124 CG PRO 180 -22.809 19.889 53.310 1.00127.95 C ATOM 125 C PRO 180 -19.211 18.964 53.164 1.00127.95 C ATOM 126 O PRO 180 -18.420 18.880 54.102 1.00127.95 O ATOM 127 N SER 181 -19.065 18.290 52.007 1.00 23.02 N ATOM 128 CA SER 181 -17.960 17.397 51.828 1.00 23.02 C ATOM 129 CB SER 181 -18.022 16.632 50.493 1.00 23.02 C ATOM 130 OG SER 181 -17.917 17.531 49.399 1.00 23.02 O ATOM 131 C SER 181 -16.714 18.214 51.843 1.00 23.02 C ATOM 132 O SER 181 -15.709 17.830 52.441 1.00 23.02 O ATOM 133 N ALA 182 -16.768 19.384 51.185 1.00 25.42 N ATOM 134 CA ALA 182 -15.624 20.238 51.124 1.00 25.42 C ATOM 135 CB ALA 182 -15.878 21.507 50.293 1.00 25.42 C ATOM 136 C ALA 182 -15.298 20.670 52.515 1.00 25.42 C ATOM 137 O ALA 182 -14.139 20.642 52.923 1.00 25.42 O ATOM 138 N LEU 183 -16.323 21.063 53.293 1.00103.90 N ATOM 139 CA LEU 183 -16.087 21.538 54.624 1.00103.90 C ATOM 140 CB LEU 183 -17.376 22.043 55.303 1.00103.90 C ATOM 141 CG LEU 183 -17.196 22.570 56.744 1.00103.90 C ATOM 142 CD1 LEU 183 -17.009 21.434 57.769 1.00103.90 C ATOM 143 CD2 LEU 183 -16.072 23.616 56.811 1.00103.90 C ATOM 144 C LEU 183 -15.525 20.424 55.442 1.00103.90 C ATOM 145 O LEU 183 -14.559 20.614 56.180 1.00103.90 O ATOM 146 N ASN 184 -16.105 19.219 55.306 1.00 67.80 N ATOM 147 CA ASN 184 -15.705 18.102 56.111 1.00 67.80 C ATOM 148 CB ASN 184 -16.503 16.832 55.767 1.00 67.80 C ATOM 149 CG ASN 184 -16.142 15.722 56.744 1.00 67.80 C ATOM 150 OD1 ASN 184 -15.255 15.870 57.582 1.00 67.80 O ATOM 151 ND2 ASN 184 -16.849 14.567 56.622 1.00 67.80 N ATOM 152 C ASN 184 -14.262 17.830 55.850 1.00 67.80 C ATOM 153 O ASN 184 -13.486 17.627 56.783 1.00 67.80 O ATOM 154 N ALA 185 -13.865 17.833 54.564 1.00 10.00 N ATOM 155 CA ALA 185 -12.491 17.605 54.233 1.00 10.00 C ATOM 156 CB ALA 185 -12.196 17.725 52.727 1.00 10.00 C ATOM 157 C ALA 185 -11.696 18.690 54.941 1.00 10.00 C ATOM 158 O ALA 185 -10.767 18.330 55.712 1.00 10.00 O ATOM 159 OXT ALA 185 -12.008 19.891 54.722 1.00 10.00 O