EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:00:25 REMARK 6 MODELLER OBJECTIVE FUNCTION: 103.4808 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 46.154 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1545.84619 REMARK 6 GA341 score: 0.97095 REMARK 6 Normalized DOPE score: -0.68676 REMARK 6 TEMPLATE: 2i13A02 75:A - 100:A MODELS 1: - 26: AT 46.2% ATOM 1 N GLU 137 1.387 29.808 41.035 1.00 61.58 N ATOM 2 CA GLU 137 0.013 30.119 41.484 1.00 61.58 C ATOM 3 CB GLU 137 -0.601 28.921 42.222 1.00 61.58 C ATOM 4 CG GLU 137 -0.965 27.752 41.308 1.00 61.58 C ATOM 5 CD GLU 137 -1.267 26.561 42.199 1.00 61.58 C ATOM 6 OE1 GLU 137 -1.745 26.777 43.346 1.00 61.58 O ATOM 7 OE2 GLU 137 -1.003 25.416 41.745 1.00 61.58 O ATOM 8 C GLU 137 0.012 31.266 42.432 1.00 61.58 C ATOM 9 O GLU 137 1.041 31.901 42.660 1.00 61.58 O ATOM 10 N LYS 138 -1.177 31.573 42.984 1.00 83.71 N ATOM 11 CA LYS 138 -1.292 32.624 43.951 1.00 83.71 C ATOM 12 CB LYS 138 -2.112 33.807 43.422 1.00 83.71 C ATOM 13 CG LYS 138 -1.505 34.450 42.171 1.00 83.71 C ATOM 14 CD LYS 138 -2.476 35.376 41.432 1.00 83.71 C ATOM 15 CE LYS 138 -1.836 36.152 40.281 1.00 83.71 C ATOM 16 NZ LYS 138 -0.834 37.098 40.817 1.00 83.71 N ATOM 17 C LYS 138 -2.057 32.032 45.094 1.00 83.71 C ATOM 18 O LYS 138 -3.288 32.025 45.114 1.00 83.71 O ATOM 19 N PRO 139 -1.330 31.534 46.046 1.00106.98 N ATOM 20 CA PRO 139 -1.949 30.896 47.175 1.00106.98 C ATOM 21 CD PRO 139 -0.044 30.935 45.728 1.00106.98 C ATOM 22 CB PRO 139 -0.836 30.118 47.875 1.00106.98 C ATOM 23 CG PRO 139 0.144 29.791 46.735 1.00106.98 C ATOM 24 C PRO 139 -2.708 31.803 48.093 1.00106.98 C ATOM 25 O PRO 139 -3.608 31.319 48.779 1.00106.98 O ATOM 26 N PHE 140 -2.388 33.108 48.143 1.00 62.90 N ATOM 27 CA PHE 140 -3.056 33.895 49.136 1.00 62.90 C ATOM 28 CB PHE 140 -2.101 34.814 49.911 1.00 62.90 C ATOM 29 CG PHE 140 -1.106 33.881 50.512 1.00 62.90 C ATOM 30 CD1 PHE 140 -1.482 33.023 51.520 1.00 62.90 C ATOM 31 CD2 PHE 140 0.199 33.866 50.075 1.00 62.90 C ATOM 32 CE1 PHE 140 -0.575 32.154 52.076 1.00 62.90 C ATOM 33 CE2 PHE 140 1.116 33.001 50.627 1.00 62.90 C ATOM 34 CZ PHE 140 0.725 32.143 51.628 1.00 62.90 C ATOM 35 C PHE 140 -4.101 34.738 48.486 1.00 62.90 C ATOM 36 O PHE 140 -3.816 35.513 47.575 1.00 62.90 O ATOM 37 N THR 141 -5.352 34.613 48.973 1.00103.53 N ATOM 38 CA THR 141 -6.425 35.359 48.385 1.00103.53 C ATOM 39 CB THR 141 -7.591 34.512 47.967 1.00103.53 C ATOM 40 OG1 THR 141 -8.182 33.903 49.103 1.00103.53 O ATOM 41 CG2 THR 141 -7.105 33.435 46.982 1.00103.53 C ATOM 42 C THR 141 -6.948 36.324 49.399 1.00103.53 C ATOM 43 O THR 141 -7.036 36.020 50.588 1.00103.53 O ATOM 44 N CYS 142 -7.291 37.541 48.936 1.00 47.01 N ATOM 45 CA CYS 142 -7.848 38.549 49.793 1.00 47.01 C ATOM 46 CB CYS 142 -7.867 39.941 49.126 1.00 47.01 C ATOM 47 SG CYS 142 -8.564 41.249 50.179 1.00 47.01 S ATOM 48 C CYS 142 -9.263 38.148 50.048 1.00 47.01 C ATOM 49 O CYS 142 -10.010 37.865 49.113 1.00 47.01 O ATOM 50 N THR 143 -9.678 38.117 51.326 1.00107.03 N ATOM 51 CA THR 143 -11.013 37.693 51.621 1.00107.03 C ATOM 52 CB THR 143 -11.252 37.533 53.089 1.00107.03 C ATOM 53 OG1 THR 143 -11.051 38.768 53.758 1.00107.03 O ATOM 54 CG2 THR 143 -10.273 36.470 53.622 1.00107.03 C ATOM 55 C THR 143 -11.998 38.677 51.076 1.00107.03 C ATOM 56 O THR 143 -13.042 38.290 50.551 1.00107.03 O ATOM 57 N GLN 144 -11.710 39.984 51.217 1.00112.39 N ATOM 58 CA GLN 144 -12.690 40.939 50.794 1.00112.39 C ATOM 59 CB GLN 144 -12.354 42.369 51.257 1.00112.39 C ATOM 60 CG GLN 144 -13.425 43.404 50.903 1.00112.39 C ATOM 61 CD GLN 144 -14.613 43.197 51.837 1.00112.39 C ATOM 62 OE1 GLN 144 -15.351 42.218 51.729 1.00112.39 O ATOM 63 NE2 GLN 144 -14.801 44.140 52.797 1.00112.39 N ATOM 64 C GLN 144 -12.844 40.989 49.302 1.00112.39 C ATOM 65 O GLN 144 -13.943 40.813 48.780 1.00112.39 O ATOM 66 N CYS 145 -11.733 41.267 48.588 1.00110.74 N ATOM 67 CA CYS 145 -11.691 41.452 47.157 1.00110.74 C ATOM 68 CB CYS 145 -10.396 42.171 46.748 1.00110.74 C ATOM 69 SG CYS 145 -10.227 42.372 44.956 1.00110.74 S ATOM 70 C CYS 145 -11.761 40.172 46.381 1.00110.74 C ATOM 71 O CYS 145 -12.508 40.070 45.410 1.00110.74 O ATOM 72 N GLY 146 -10.988 39.151 46.798 1.00 28.60 N ATOM 73 CA GLY 146 -10.917 37.920 46.060 1.00 28.60 C ATOM 74 C GLY 146 -9.683 37.928 45.196 1.00 28.60 C ATOM 75 O GLY 146 -9.436 36.970 44.466 1.00 28.60 O ATOM 76 N LYS 147 -8.866 39.002 45.258 1.00103.75 N ATOM 77 CA LYS 147 -7.664 39.070 44.469 1.00103.75 C ATOM 78 CB LYS 147 -7.077 40.490 44.393 1.00103.75 C ATOM 79 CG LYS 147 -5.881 40.625 43.453 1.00103.75 C ATOM 80 CD LYS 147 -5.593 42.074 43.058 1.00103.75 C ATOM 81 CE LYS 147 -6.210 42.469 41.716 1.00103.75 C ATOM 82 NZ LYS 147 -5.542 41.736 40.619 1.00103.75 N ATOM 83 C LYS 147 -6.650 38.132 45.061 1.00103.75 C ATOM 84 O LYS 147 -6.605 37.944 46.276 1.00103.75 O ATOM 85 N ASN 148 -5.801 37.516 44.204 1.00 62.21 N ATOM 86 CA ASN 148 -4.865 36.512 44.655 1.00 62.21 C ATOM 87 CB ASN 148 -4.927 35.229 43.804 1.00 62.21 C ATOM 88 CG ASN 148 -6.356 34.707 43.825 1.00 62.21 C ATOM 89 OD1 ASN 148 -7.137 35.032 44.718 1.00 62.21 O ATOM 90 ND2 ASN 148 -6.717 33.886 42.803 1.00 62.21 N ATOM 91 C ASN 148 -3.458 37.036 44.535 1.00 62.21 C ATOM 92 O ASN 148 -3.171 37.859 43.665 1.00 62.21 O ATOM 93 N PHE 149 -2.538 36.560 45.411 1.00146.04 N ATOM 94 CA PHE 149 -1.184 37.052 45.411 1.00146.04 C ATOM 95 CB PHE 149 -0.915 38.043 46.563 1.00146.04 C ATOM 96 CG PHE 149 -1.781 39.236 46.334 1.00146.04 C ATOM 97 CD1 PHE 149 -3.059 39.254 46.839 1.00146.04 C ATOM 98 CD2 PHE 149 -1.338 40.324 45.615 1.00146.04 C ATOM 99 CE1 PHE 149 -3.884 40.333 46.635 1.00146.04 C ATOM 100 CE2 PHE 149 -2.160 41.411 45.408 1.00146.04 C ATOM 101 CZ PHE 149 -3.438 41.416 45.918 1.00146.04 C ATOM 102 C PHE 149 -0.217 35.918 45.587 1.00146.04 C ATOM 103 O PHE 149 -0.528 34.889 46.187 1.00146.04 O ATOM 104 N ARG 150 1.003 36.101 45.043 1.00 78.00 N ATOM 105 CA ARG 150 2.085 35.165 45.152 1.00 78.00 C ATOM 106 CB ARG 150 3.319 35.586 44.342 1.00 78.00 C ATOM 107 CG ARG 150 3.197 35.381 42.839 1.00 78.00 C ATOM 108 CD ARG 150 4.479 35.761 42.109 1.00 78.00 C ATOM 109 NE ARG 150 4.377 35.241 40.723 1.00 78.00 N ATOM 110 CZ ARG 150 5.303 35.622 39.800 1.00 78.00 C ATOM 111 NH1 ARG 150 6.262 36.531 40.143 1.00 78.00 N ATOM 112 NH2 ARG 150 5.269 35.100 38.541 1.00 78.00 N ATOM 113 C ARG 150 2.556 35.076 46.575 1.00 78.00 C ATOM 114 O ARG 150 2.868 33.985 47.052 1.00 78.00 O ATOM 115 N GLN 151 2.634 36.216 47.296 1.00 45.77 N ATOM 116 CA GLN 151 3.205 36.143 48.618 1.00 45.77 C ATOM 117 CB GLN 151 4.469 36.993 48.790 1.00 45.77 C ATOM 118 CG GLN 151 5.642 36.552 47.913 1.00 45.77 C ATOM 119 CD GLN 151 6.795 37.498 48.205 1.00 45.77 C ATOM 120 OE1 GLN 151 6.594 38.692 48.423 1.00 45.77 O ATOM 121 NE2 GLN 151 8.041 36.949 48.215 1.00 45.77 N ATOM 122 C GLN 151 2.252 36.648 49.664 1.00 45.77 C ATOM 123 O GLN 151 1.405 37.503 49.409 1.00 45.77 O ATOM 124 N SER 152 2.408 36.120 50.901 1.00 65.57 N ATOM 125 CA SER 152 1.601 36.480 52.035 1.00 65.57 C ATOM 126 CB SER 152 1.936 35.658 53.300 1.00 65.57 C ATOM 127 OG SER 152 1.151 36.117 54.393 1.00 65.57 O ATOM 128 C SER 152 1.826 37.924 52.377 1.00 65.57 C ATOM 129 O SER 152 0.882 38.654 52.682 1.00 65.57 O ATOM 130 N SER 153 3.096 38.370 52.324 1.00 67.03 N ATOM 131 CA SER 153 3.439 39.716 52.691 1.00 67.03 C ATOM 132 CB SER 153 4.949 39.995 52.613 1.00 67.03 C ATOM 133 OG SER 153 5.649 39.219 53.573 1.00 67.03 O ATOM 134 C SER 153 2.778 40.677 51.755 1.00 67.03 C ATOM 135 O SER 153 2.304 41.735 52.165 1.00 67.03 O ATOM 136 N SER 154 2.750 40.332 50.456 1.00 68.83 N ATOM 137 CA SER 154 2.176 41.207 49.477 1.00 68.83 C ATOM 138 CB SER 154 2.364 40.708 48.032 1.00 68.83 C ATOM 139 OG SER 154 1.612 39.524 47.818 1.00 68.83 O ATOM 140 C SER 154 0.704 41.317 49.721 1.00 68.83 C ATOM 141 O SER 154 0.123 42.392 49.573 1.00 68.83 O ATOM 142 N LEU 155 0.056 40.204 50.111 1.00105.77 N ATOM 143 CA LEU 155 -1.358 40.236 50.345 1.00105.77 C ATOM 144 CB LEU 155 -1.913 38.837 50.680 1.00105.77 C ATOM 145 CG LEU 155 -3.432 38.767 50.944 1.00105.77 C ATOM 146 CD1 LEU 155 -3.825 39.364 52.305 1.00105.77 C ATOM 147 CD2 LEU 155 -4.234 39.387 49.791 1.00105.77 C ATOM 148 C LEU 155 -1.604 41.165 51.492 1.00105.77 C ATOM 149 O LEU 155 -2.552 41.948 51.487 1.00105.77 O ATOM 150 N ASN 156 -0.715 41.129 52.502 1.00 75.17 N ATOM 151 CA ASN 156 -0.877 41.946 53.671 1.00 75.17 C ATOM 152 CB ASN 156 0.279 41.752 54.671 1.00 75.17 C ATOM 153 CG ASN 156 -0.043 42.500 55.956 1.00 75.17 C ATOM 154 OD1 ASN 156 0.490 43.578 56.215 1.00 75.17 O ATOM 155 ND2 ASN 156 -0.941 41.902 56.784 1.00 75.17 N ATOM 156 C ASN 156 -0.906 43.390 53.274 1.00 75.17 C ATOM 157 O ASN 156 -1.750 44.149 53.750 1.00 75.17 O ATOM 158 N LEU 157 0.006 43.811 52.378 1.00 98.31 N ATOM 159 CA LEU 157 0.048 45.197 51.999 1.00 98.31 C ATOM 160 CB LEU 157 1.244 45.542 51.097 1.00 98.31 C ATOM 161 CG LEU 157 2.602 45.192 51.741 1.00 98.31 C ATOM 162 CD1 LEU 157 3.774 45.845 50.988 1.00 98.31 C ATOM 163 CD2 LEU 157 2.604 45.488 53.247 1.00 98.31 C ATOM 164 C LEU 157 -1.221 45.550 51.271 1.00 98.31 C ATOM 165 O LEU 157 -1.783 46.625 51.468 1.00 98.31 O ATOM 166 N HIS 158 -1.708 44.635 50.411 1.00 54.84 N ATOM 167 CA HIS 158 -2.900 44.840 49.629 1.00 54.84 C ATOM 168 ND1 HIS 158 -4.648 44.563 46.821 1.00 54.84 N ATOM 169 CG HIS 158 -4.475 43.789 47.946 1.00 54.84 C ATOM 170 CB HIS 158 -3.185 43.651 48.694 1.00 54.84 C ATOM 171 NE2 HIS 158 -6.615 43.621 47.252 1.00 54.84 N ATOM 172 CD2 HIS 158 -5.687 43.221 48.197 1.00 54.84 C ATOM 173 CE1 HIS 158 -5.946 44.427 46.448 1.00 54.84 C ATOM 174 C HIS 158 -4.070 44.988 50.550 1.00 54.84 C ATOM 175 O HIS 158 -4.958 45.812 50.336 1.00 54.84 O ATOM 176 N ARG 159 -4.066 44.203 51.634 1.00125.95 N ATOM 177 CA ARG 159 -5.096 44.170 52.632 1.00125.95 C ATOM 178 CB ARG 159 -4.689 43.215 53.767 1.00125.95 C ATOM 179 CG ARG 159 -5.681 43.067 54.911 1.00125.95 C ATOM 180 CD ARG 159 -5.062 42.330 56.101 1.00125.95 C ATOM 181 NE ARG 159 -6.133 42.136 57.116 1.00125.95 N ATOM 182 CZ ARG 159 -6.451 40.873 57.519 1.00125.95 C ATOM 183 NH1 ARG 159 -5.741 39.810 57.037 1.00125.95 N ATOM 184 NH2 ARG 159 -7.489 40.671 58.382 1.00125.95 N ATOM 185 C ARG 159 -5.199 45.553 53.198 1.00125.95 C ATOM 186 O ARG 159 -6.276 46.018 53.572 1.00125.95 O ATOM 187 N LYS 160 -4.058 46.256 53.249 1.00 92.99 N ATOM 188 CA LYS 160 -3.985 47.560 53.835 1.00 92.99 C ATOM 189 CB LYS 160 -2.570 48.159 53.755 1.00 92.99 C ATOM 190 CG LYS 160 -1.545 47.374 54.576 1.00 92.99 C ATOM 191 CD LYS 160 -1.931 47.278 56.053 1.00 92.99 C ATOM 192 CE LYS 160 -0.936 46.507 56.923 1.00 92.99 C ATOM 193 NZ LYS 160 -1.479 46.340 58.294 1.00 92.99 N ATOM 194 C LYS 160 -4.928 48.493 53.141 1.00 92.99 C ATOM 195 O LYS 160 -5.582 49.296 53.805 1.00 92.99 O ATOM 196 N ILE 161 -5.063 48.405 51.803 1.00 29.93 N ATOM 197 CA ILE 161 -5.910 49.359 51.137 1.00 29.93 C ATOM 198 CB ILE 161 -6.034 49.159 49.658 1.00 29.93 C ATOM 199 CG1 ILE 161 -4.677 49.323 48.955 1.00 29.93 C ATOM 200 CG2 ILE 161 -7.111 50.136 49.155 1.00 29.93 C ATOM 201 CD1 ILE 161 -4.683 48.821 47.510 1.00 29.93 C ATOM 202 C ILE 161 -7.301 49.233 51.672 1.00 29.93 C ATOM 203 O ILE 161 -7.937 50.236 51.987 1.00 29.93 O ATOM 204 N HIS 162 -7.816 47.996 51.798 1.00 37.83 N ATOM 205 CA HIS 162 -9.153 47.874 52.296 1.00 37.83 C ATOM 206 ND1 HIS 162 -10.324 46.630 49.626 1.00 37.83 N ATOM 207 CG HIS 162 -9.695 46.006 50.681 1.00 37.83 C ATOM 208 CB HIS 162 -9.758 46.469 52.107 1.00 37.83 C ATOM 209 NE2 HIS 162 -9.217 44.899 48.773 1.00 37.83 N ATOM 210 CD2 HIS 162 -9.026 44.950 50.142 1.00 37.83 C ATOM 211 CE1 HIS 162 -10.003 45.928 48.510 1.00 37.83 C ATOM 212 C HIS 162 -9.080 48.165 53.792 1.00 37.83 C ATOM 213 O HIS 162 -10.154 48.332 54.427 1.00 37.83 O ATOM 214 OXT HIS 162 -7.936 48.239 54.319 1.00 37.83 O