EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:18:15 REMARK 6 MODELLER OBJECTIVE FUNCTION: 93.8207 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 63.636 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1271.06628 REMARK 6 GA341 score: 0.97973 REMARK 6 Normalized DOPE score: -1.03675 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 63.6% ATOM 1 N GLU 119 -2.774 16.659 50.195 1.00 68.42 N ATOM 2 CA GLU 119 -2.453 18.102 50.115 1.00 68.42 C ATOM 3 CB GLU 119 -1.104 18.306 49.398 1.00 68.42 C ATOM 4 CG GLU 119 -1.026 17.722 47.985 1.00 68.42 C ATOM 5 CD GLU 119 0.452 17.659 47.620 1.00 68.42 C ATOM 6 OE1 GLU 119 1.122 16.660 47.996 1.00 68.42 O ATOM 7 OE2 GLU 119 0.936 18.625 46.971 1.00 68.42 O ATOM 8 C GLU 119 -3.535 18.863 49.422 1.00 68.42 C ATOM 9 O GLU 119 -4.321 18.303 48.660 1.00 68.42 O ATOM 10 N LYS 120 -3.632 20.171 49.725 1.00 70.58 N ATOM 11 CA LYS 120 -4.616 20.994 49.091 1.00 70.58 C ATOM 12 CB LYS 120 -5.608 21.592 50.107 1.00 70.58 C ATOM 13 CG LYS 120 -6.571 20.542 50.678 1.00 70.58 C ATOM 14 CD LYS 120 -7.211 20.917 52.022 1.00 70.58 C ATOM 15 CE LYS 120 -8.256 19.903 52.514 1.00 70.58 C ATOM 16 NZ LYS 120 -8.359 19.919 53.999 1.00 70.58 N ATOM 17 C LYS 120 -3.854 22.105 48.445 1.00 70.58 C ATOM 18 O LYS 120 -3.595 23.155 49.031 1.00 70.58 O ATOM 19 N PRO 121 -3.490 21.855 47.223 1.00120.19 N ATOM 20 CA PRO 121 -2.676 22.729 46.428 1.00120.19 C ATOM 21 CD PRO 121 -3.704 20.558 46.607 1.00120.19 C ATOM 22 CB PRO 121 -2.253 21.892 45.215 1.00120.19 C ATOM 23 CG PRO 121 -3.297 20.763 45.143 1.00120.19 C ATOM 24 C PRO 121 -3.288 24.047 46.049 1.00120.19 C ATOM 25 O PRO 121 -2.536 25.007 45.886 1.00120.19 O ATOM 26 N PHE 122 -4.623 24.147 45.902 1.00126.04 N ATOM 27 CA PHE 122 -5.134 25.401 45.425 1.00126.04 C ATOM 28 CB PHE 122 -6.233 25.272 44.363 1.00126.04 C ATOM 29 CG PHE 122 -5.559 24.692 43.180 1.00126.04 C ATOM 30 CD1 PHE 122 -5.401 23.331 43.095 1.00126.04 C ATOM 31 CD2 PHE 122 -5.055 25.494 42.183 1.00126.04 C ATOM 32 CE1 PHE 122 -4.773 22.778 42.004 1.00126.04 C ATOM 33 CE2 PHE 122 -4.427 24.938 41.095 1.00126.04 C ATOM 34 CZ PHE 122 -4.281 23.575 40.996 1.00126.04 C ATOM 35 C PHE 122 -5.701 26.177 46.559 1.00126.04 C ATOM 36 O PHE 122 -6.534 25.672 47.311 1.00126.04 O ATOM 37 N THR 123 -5.265 27.448 46.682 1.00110.55 N ATOM 38 CA THR 123 -5.705 28.306 47.743 1.00110.55 C ATOM 39 CB THR 123 -4.564 29.001 48.436 1.00110.55 C ATOM 40 OG1 THR 123 -3.886 29.853 47.521 1.00110.55 O ATOM 41 CG2 THR 123 -3.585 27.947 48.979 1.00110.55 C ATOM 42 C THR 123 -6.572 29.390 47.161 1.00110.55 C ATOM 43 O THR 123 -6.236 30.012 46.155 1.00110.55 O ATOM 44 N CYS 124 -7.741 29.627 47.795 1.00 47.78 N ATOM 45 CA CYS 124 -8.660 30.666 47.405 1.00 47.78 C ATOM 46 CB CYS 124 -10.033 30.531 48.104 1.00 47.78 C ATOM 47 SG CYS 124 -11.246 31.807 47.633 1.00 47.78 S ATOM 48 C CYS 124 -8.054 31.966 47.843 1.00 47.78 C ATOM 49 O CYS 124 -7.786 32.173 49.026 1.00 47.78 O ATOM 50 N ASN 125 -7.846 32.897 46.895 1.00 63.74 N ATOM 51 CA ASN 125 -7.188 34.124 47.223 1.00 63.74 C ATOM 52 CB ASN 125 -6.925 35.002 45.984 1.00 63.74 C ATOM 53 CG ASN 125 -5.657 34.486 45.325 1.00 63.74 C ATOM 54 OD1 ASN 125 -5.618 34.258 44.117 1.00 63.74 O ATOM 55 ND2 ASN 125 -4.581 34.314 46.142 1.00 63.74 N ATOM 56 C ASN 125 -8.001 34.904 48.203 1.00 63.74 C ATOM 57 O ASN 125 -7.453 35.482 49.141 1.00 63.74 O ATOM 58 N GLN 126 -9.328 34.987 48.010 1.00114.20 N ATOM 59 CA GLN 126 -10.019 35.847 48.924 1.00114.20 C ATOM 60 CB GLN 126 -11.438 36.206 48.446 1.00114.20 C ATOM 61 CG GLN 126 -11.937 37.527 49.045 1.00114.20 C ATOM 62 CD GLN 126 -11.182 38.626 48.302 1.00114.20 C ATOM 63 OE1 GLN 126 -11.014 38.559 47.086 1.00114.20 O ATOM 64 NE2 GLN 126 -10.687 39.652 49.044 1.00114.20 N ATOM 65 C GLN 126 -10.135 35.248 50.302 1.00114.20 C ATOM 66 O GLN 126 -9.695 35.843 51.285 1.00114.20 O ATOM 67 N CYS 127 -10.741 34.038 50.381 1.00104.93 N ATOM 68 CA CYS 127 -11.080 33.301 51.583 1.00104.93 C ATOM 69 CB CYS 127 -12.090 32.188 51.272 1.00104.93 C ATOM 70 SG CYS 127 -12.496 31.157 52.707 1.00104.93 S ATOM 71 C CYS 127 -9.925 32.651 52.288 1.00104.93 C ATOM 72 O CYS 127 -9.839 32.705 53.514 1.00104.93 O ATOM 73 N GLY 128 -9.010 32.007 51.537 1.00 28.07 N ATOM 74 CA GLY 128 -7.921 31.315 52.162 1.00 28.07 C ATOM 75 C GLY 128 -8.242 29.849 52.250 1.00 28.07 C ATOM 76 O GLY 128 -7.447 29.075 52.780 1.00 28.07 O ATOM 77 N LYS 129 -9.416 29.424 51.738 1.00 57.65 N ATOM 78 CA LYS 129 -9.770 28.029 51.773 1.00 57.65 C ATOM 79 CB LYS 129 -11.240 27.788 51.394 1.00 57.65 C ATOM 80 CG LYS 129 -11.787 26.391 51.696 1.00 57.65 C ATOM 81 CD LYS 129 -13.312 26.329 51.539 1.00 57.65 C ATOM 82 CE LYS 129 -13.985 25.105 52.172 1.00 57.65 C ATOM 83 NZ LYS 129 -15.443 25.112 51.883 1.00 57.65 N ATOM 84 C LYS 129 -8.935 27.323 50.738 1.00 57.65 C ATOM 85 O LYS 129 -8.667 27.869 49.669 1.00 57.65 O ATOM 86 N SER 130 -8.493 26.079 51.034 1.00 87.13 N ATOM 87 CA SER 130 -7.677 25.366 50.089 1.00 87.13 C ATOM 88 CB SER 130 -6.285 24.995 50.631 1.00 87.13 C ATOM 89 OG SER 130 -6.388 24.301 51.863 1.00 87.13 O ATOM 90 C SER 130 -8.402 24.135 49.640 1.00 87.13 C ATOM 91 O SER 130 -9.174 23.547 50.395 1.00 87.13 O ATOM 92 N PHE 131 -8.173 23.714 48.374 1.00 66.05 N ATOM 93 CA PHE 131 -8.912 22.607 47.827 1.00 66.05 C ATOM 94 CB PHE 131 -9.907 23.038 46.734 1.00 66.05 C ATOM 95 CG PHE 131 -10.998 23.836 47.368 1.00 66.05 C ATOM 96 CD1 PHE 131 -12.124 23.207 47.850 1.00 66.05 C ATOM 97 CD2 PHE 131 -10.894 25.203 47.487 1.00 66.05 C ATOM 98 CE1 PHE 131 -13.138 23.924 48.437 1.00 66.05 C ATOM 99 CE2 PHE 131 -11.908 25.924 48.075 1.00 66.05 C ATOM 100 CZ PHE 131 -13.031 25.287 48.548 1.00 66.05 C ATOM 101 C PHE 131 -7.989 21.621 47.183 1.00 66.05 C ATOM 102 O PHE 131 -6.892 21.956 46.737 1.00 66.05 O ATOM 103 N SER 132 -8.434 20.351 47.139 1.00 36.49 N ATOM 104 CA SER 132 -7.688 19.277 46.555 1.00 36.49 C ATOM 105 CB SER 132 -8.289 17.908 46.912 1.00 36.49 C ATOM 106 OG SER 132 -9.641 17.842 46.484 1.00 36.49 O ATOM 107 C SER 132 -7.658 19.421 45.055 1.00 36.49 C ATOM 108 O SER 132 -6.688 19.017 44.413 1.00 36.49 O ATOM 109 N GLN 133 -8.716 20.006 44.448 1.00 48.28 N ATOM 110 CA GLN 133 -8.751 20.087 43.011 1.00 48.28 C ATOM 111 CB GLN 133 -9.831 19.215 42.354 1.00 48.28 C ATOM 112 CG GLN 133 -9.536 17.723 42.445 1.00 48.28 C ATOM 113 CD GLN 133 -10.633 17.036 41.660 1.00 48.28 C ATOM 114 OE1 GLN 133 -11.680 17.625 41.396 1.00 48.28 O ATOM 115 NE2 GLN 133 -10.388 15.763 41.261 1.00 48.28 N ATOM 116 C GLN 133 -9.001 21.487 42.545 1.00 48.28 C ATOM 117 O GLN 133 -9.698 22.270 43.190 1.00 48.28 O ATOM 118 N LYS 134 -8.424 21.812 41.369 1.00 83.60 N ATOM 119 CA LYS 134 -8.516 23.097 40.734 1.00 83.60 C ATOM 120 CB LYS 134 -7.655 23.195 39.456 1.00 83.60 C ATOM 121 CG LYS 134 -7.867 24.493 38.667 1.00 83.60 C ATOM 122 CD LYS 134 -6.782 24.796 37.626 1.00 83.60 C ATOM 123 CE LYS 134 -6.135 23.562 36.989 1.00 83.60 C ATOM 124 NZ LYS 134 -5.015 23.985 36.119 1.00 83.60 N ATOM 125 C LYS 134 -9.934 23.391 40.351 1.00 83.60 C ATOM 126 O LYS 134 -10.410 24.510 40.538 1.00 83.60 O ATOM 127 N SER 135 -10.660 22.389 39.818 1.00 30.17 N ATOM 128 CA SER 135 -12.005 22.628 39.369 1.00 30.17 C ATOM 129 CB SER 135 -12.677 21.375 38.782 1.00 30.17 C ATOM 130 OG SER 135 -13.036 20.482 39.827 1.00 30.17 O ATOM 131 C SER 135 -12.840 23.072 40.532 1.00 30.17 C ATOM 132 O SER 135 -13.652 23.989 40.402 1.00 30.17 O ATOM 133 N ASN 136 -12.648 22.445 41.710 1.00 36.99 N ATOM 134 CA ASN 136 -13.428 22.772 42.873 1.00 36.99 C ATOM 135 CB ASN 136 -13.111 21.899 44.096 1.00 36.99 C ATOM 136 CG ASN 136 -13.754 20.547 43.859 1.00 36.99 C ATOM 137 OD1 ASN 136 -14.767 20.445 43.169 1.00 36.99 O ATOM 138 ND2 ASN 136 -13.162 19.474 44.444 1.00 36.99 N ATOM 139 C ASN 136 -13.155 24.175 43.294 1.00 36.99 C ATOM 140 O ASN 136 -14.075 24.896 43.678 1.00 36.99 O ATOM 141 N LEU 137 -11.880 24.598 43.223 1.00106.19 N ATOM 142 CA LEU 137 -11.518 25.905 43.678 1.00106.19 C ATOM 143 CB LEU 137 -10.002 26.164 43.539 1.00106.19 C ATOM 144 CG LEU 137 -9.480 27.483 44.147 1.00106.19 C ATOM 145 CD1 LEU 137 -9.810 28.710 43.288 1.00106.19 C ATOM 146 CD2 LEU 137 -9.962 27.638 45.597 1.00106.19 C ATOM 147 C LEU 137 -12.288 26.880 42.850 1.00106.19 C ATOM 148 O LEU 137 -12.768 27.900 43.341 1.00106.19 O ATOM 149 N ASN 138 -12.465 26.577 41.558 1.00 62.74 N ATOM 150 CA ASN 138 -13.143 27.491 40.689 1.00 62.74 C ATOM 151 CB ASN 138 -13.153 26.984 39.237 1.00 62.74 C ATOM 152 CG ASN 138 -13.349 28.148 38.274 1.00 62.74 C ATOM 153 OD1 ASN 138 -13.822 29.222 38.639 1.00 62.74 O ATOM 154 ND2 ASN 138 -12.967 27.914 36.990 1.00 62.74 N ATOM 155 C ASN 138 -14.566 27.654 41.144 1.00 62.74 C ATOM 156 O ASN 138 -15.096 28.765 41.176 1.00 62.74 O ATOM 157 N LEU 139 -15.220 26.535 41.515 1.00 41.68 N ATOM 158 CA LEU 139 -16.608 26.567 41.875 1.00 41.68 C ATOM 159 CB LEU 139 -17.165 25.142 42.126 1.00 41.68 C ATOM 160 CG LEU 139 -18.702 25.011 42.243 1.00 41.68 C ATOM 161 CD1 LEU 139 -19.098 23.557 42.548 1.00 41.68 C ATOM 162 CD2 LEU 139 -19.326 26.001 43.238 1.00 41.68 C ATOM 163 C LEU 139 -16.747 27.394 43.121 1.00 41.68 C ATOM 164 O LEU 139 -17.663 28.209 43.228 1.00 41.68 O ATOM 165 N HIS 140 -15.833 27.209 44.098 1.00 45.26 N ATOM 166 CA HIS 140 -15.912 27.914 45.351 1.00 45.26 C ATOM 167 ND1 HIS 140 -15.294 27.624 48.797 1.00 45.26 N ATOM 168 CG HIS 140 -14.848 28.266 47.662 1.00 45.26 C ATOM 169 CB HIS 140 -14.718 27.633 46.301 1.00 45.26 C ATOM 170 NE2 HIS 140 -14.866 29.726 49.388 1.00 45.26 N ATOM 171 CD2 HIS 140 -14.587 29.549 48.046 1.00 45.26 C ATOM 172 CE1 HIS 140 -15.287 28.542 49.799 1.00 45.26 C ATOM 173 C HIS 140 -15.983 29.420 45.084 1.00 45.26 C ATOM 174 O HIS 140 -15.340 29.900 44.114 1.00 45.26 O ATOM 175 OXT HIS 140 -16.702 30.114 45.854 1.00 45.26 O