EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:28 REMARK 6 MODELLER OBJECTIVE FUNCTION: 76.8488 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.091 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1273.46729 REMARK 6 GA341 score: 0.90000 REMARK 6 Normalized DOPE score: -0.60745 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 59.1% ATOM 1 N GLU 119 -19.751 29.908 46.115 1.00 32.60 N ATOM 2 CA GLU 119 -20.812 30.162 47.116 1.00 32.60 C ATOM 3 CB GLU 119 -21.892 29.067 47.036 1.00 32.60 C ATOM 4 CG GLU 119 -23.147 29.375 47.854 1.00 32.60 C ATOM 5 CD GLU 119 -24.080 28.180 47.761 1.00 32.60 C ATOM 6 OE1 GLU 119 -23.939 27.248 48.598 1.00 32.60 O ATOM 7 OE2 GLU 119 -24.949 28.187 46.846 1.00 32.60 O ATOM 8 C GLU 119 -20.221 30.183 48.492 1.00 32.60 C ATOM 9 O GLU 119 -19.001 30.140 48.648 1.00 32.60 O ATOM 10 N LYS 120 -21.072 30.278 49.532 1.00 60.92 N ATOM 11 CA LYS 120 -20.573 30.322 50.874 1.00 60.92 C ATOM 12 CB LYS 120 -20.983 31.622 51.580 1.00 60.92 C ATOM 13 CG LYS 120 -20.583 32.867 50.786 1.00 60.92 C ATOM 14 CD LYS 120 -21.354 34.124 51.194 1.00 60.92 C ATOM 15 CE LYS 120 -21.137 35.305 50.246 1.00 60.92 C ATOM 16 NZ LYS 120 -22.130 36.367 50.522 1.00 60.92 N ATOM 17 C LYS 120 -21.228 29.202 51.619 1.00 60.92 C ATOM 18 O LYS 120 -22.365 29.318 52.073 1.00 60.92 O ATOM 19 N PRO 121 -20.538 28.107 51.733 1.00114.87 N ATOM 20 CA PRO 121 -21.093 26.973 52.419 1.00114.87 C ATOM 21 CD PRO 121 -19.637 27.699 50.667 1.00114.87 C ATOM 22 CB PRO 121 -20.333 25.746 51.906 1.00114.87 C ATOM 23 CG PRO 121 -19.146 26.315 51.110 1.00114.87 C ATOM 24 C PRO 121 -21.162 27.066 53.916 1.00114.87 C ATOM 25 O PRO 121 -21.883 26.268 54.512 1.00114.87 O ATOM 26 N PHE 122 -20.439 27.999 54.562 1.00 55.85 N ATOM 27 CA PHE 122 -20.448 27.983 55.999 1.00 55.85 C ATOM 28 CB PHE 122 -19.060 28.247 56.605 1.00 55.85 C ATOM 29 CG PHE 122 -18.158 27.170 56.104 1.00 55.85 C ATOM 30 CD1 PHE 122 -18.127 25.935 56.707 1.00 55.85 C ATOM 31 CD2 PHE 122 -17.338 27.399 55.022 1.00 55.85 C ATOM 32 CE1 PHE 122 -17.294 24.945 56.239 1.00 55.85 C ATOM 33 CE2 PHE 122 -16.503 26.414 54.550 1.00 55.85 C ATOM 34 CZ PHE 122 -16.480 25.183 55.159 1.00 55.85 C ATOM 35 C PHE 122 -21.362 29.064 56.486 1.00 55.85 C ATOM 36 O PHE 122 -21.198 30.230 56.135 1.00 55.85 O ATOM 37 N THR 123 -22.343 28.699 57.339 1.00101.58 N ATOM 38 CA THR 123 -23.292 29.670 57.807 1.00101.58 C ATOM 39 CB THR 123 -24.717 29.281 57.548 1.00101.58 C ATOM 40 OG1 THR 123 -25.018 28.071 58.230 1.00101.58 O ATOM 41 CG2 THR 123 -24.918 29.099 56.035 1.00101.58 C ATOM 42 C THR 123 -23.161 29.836 59.291 1.00101.58 C ATOM 43 O THR 123 -22.948 28.876 60.030 1.00101.58 O ATOM 44 N CYS 124 -23.275 31.099 59.751 1.00 41.81 N ATOM 45 CA CYS 124 -23.212 31.436 61.146 1.00 41.81 C ATOM 46 CB CYS 124 -22.953 32.936 61.391 1.00 41.81 C ATOM 47 SG CYS 124 -22.892 33.370 63.155 1.00 41.81 S ATOM 48 C CYS 124 -24.532 31.108 61.764 1.00 41.81 C ATOM 49 O CYS 124 -25.585 31.480 61.248 1.00 41.81 O ATOM 50 N THR 125 -24.507 30.415 62.917 1.00 42.53 N ATOM 51 CA THR 125 -25.726 30.011 63.550 1.00 42.53 C ATOM 52 CB THR 125 -25.474 29.217 64.796 1.00 42.53 C ATOM 53 OG1 THR 125 -24.730 28.046 64.494 1.00 42.53 O ATOM 54 CG2 THR 125 -26.824 28.850 65.431 1.00 42.53 C ATOM 55 C THR 125 -26.538 31.205 63.954 1.00 42.53 C ATOM 56 O THR 125 -27.732 31.270 63.661 1.00 42.53 O ATOM 57 N GLN 126 -25.925 32.162 64.679 1.00149.01 N ATOM 58 CA GLN 126 -26.702 33.272 65.163 1.00149.01 C ATOM 59 CB GLN 126 -26.024 34.022 66.322 1.00149.01 C ATOM 60 CG GLN 126 -26.058 33.243 67.640 1.00149.01 C ATOM 61 CD GLN 126 -27.519 33.114 68.060 1.00149.01 C ATOM 62 OE1 GLN 126 -28.188 34.105 68.349 1.00149.01 O ATOM 63 NE2 GLN 126 -28.033 31.855 68.081 1.00149.01 N ATOM 64 C GLN 126 -27.070 34.289 64.121 1.00149.01 C ATOM 65 O GLN 126 -28.242 34.637 63.976 1.00149.01 O ATOM 66 N CYS 127 -26.056 34.799 63.391 1.00 93.85 N ATOM 67 CA CYS 127 -26.210 35.864 62.431 1.00 93.85 C ATOM 68 CB CYS 127 -24.847 36.440 62.008 1.00 93.85 C ATOM 69 SG CYS 127 -24.998 37.761 60.774 1.00 93.85 S ATOM 70 C CYS 127 -26.910 35.414 61.184 1.00 93.85 C ATOM 71 O CYS 127 -27.796 36.101 60.675 1.00 93.85 O ATOM 72 N GLY 128 -26.526 34.237 60.654 1.00 22.89 N ATOM 73 CA GLY 128 -27.102 33.764 59.429 1.00 22.89 C ATOM 74 C GLY 128 -26.211 34.169 58.291 1.00 22.89 C ATOM 75 O GLY 128 -26.506 33.867 57.136 1.00 22.89 O ATOM 76 N LYS 129 -25.092 34.867 58.581 1.00 75.00 N ATOM 77 CA LYS 129 -24.194 35.285 57.538 1.00 75.00 C ATOM 78 CB LYS 129 -23.210 36.375 58.002 1.00 75.00 C ATOM 79 CG LYS 129 -22.308 36.921 56.894 1.00 75.00 C ATOM 80 CD LYS 129 -21.632 38.245 57.260 1.00 75.00 C ATOM 81 CE LYS 129 -20.833 38.200 58.565 1.00 75.00 C ATOM 82 NZ LYS 129 -20.205 39.518 58.822 1.00 75.00 N ATOM 83 C LYS 129 -23.409 34.090 57.085 1.00 75.00 C ATOM 84 O LYS 129 -23.047 33.234 57.891 1.00 75.00 O ATOM 85 N SER 130 -23.123 34.001 55.766 1.00 49.34 N ATOM 86 CA SER 130 -22.420 32.853 55.254 1.00 49.34 C ATOM 87 CB SER 130 -23.112 32.166 54.063 1.00 49.34 C ATOM 88 OG SER 130 -24.284 31.494 54.494 1.00 49.34 O ATOM 89 C SER 130 -21.049 33.257 54.808 1.00 49.34 C ATOM 90 O SER 130 -20.806 34.410 54.456 1.00 49.34 O ATOM 91 N PHE 131 -20.105 32.285 54.816 1.00 61.29 N ATOM 92 CA PHE 131 -18.734 32.580 54.491 1.00 61.29 C ATOM 93 CB PHE 131 -17.810 32.531 55.720 1.00 61.29 C ATOM 94 CG PHE 131 -18.186 33.649 56.628 1.00 61.29 C ATOM 95 CD1 PHE 131 -17.599 34.887 56.496 1.00 61.29 C ATOM 96 CD2 PHE 131 -19.130 33.460 57.612 1.00 61.29 C ATOM 97 CE1 PHE 131 -17.946 35.920 57.334 1.00 61.29 C ATOM 98 CE2 PHE 131 -19.481 34.490 58.452 1.00 61.29 C ATOM 99 CZ PHE 131 -18.887 35.721 58.316 1.00 61.29 C ATOM 100 C PHE 131 -18.200 31.562 53.531 1.00 61.29 C ATOM 101 O PHE 131 -18.655 30.422 53.471 1.00 61.29 O ATOM 102 N SER 132 -17.207 31.994 52.732 1.00 75.36 N ATOM 103 CA SER 132 -16.540 31.161 51.777 1.00 75.36 C ATOM 104 CB SER 132 -15.590 31.957 50.869 1.00 75.36 C ATOM 105 OG SER 132 -14.955 31.080 49.956 1.00 75.36 O ATOM 106 C SER 132 -15.691 30.160 52.499 1.00 75.36 C ATOM 107 O SER 132 -15.561 29.016 52.061 1.00 75.36 O ATOM 108 N GLN 133 -15.086 30.562 53.637 1.00 71.65 N ATOM 109 CA GLN 133 -14.170 29.670 54.292 1.00 71.65 C ATOM 110 CB GLN 133 -12.722 30.194 54.281 1.00 71.65 C ATOM 111 CG GLN 133 -12.092 30.235 52.885 1.00 71.65 C ATOM 112 CD GLN 133 -11.385 28.910 52.625 1.00 71.65 C ATOM 113 OE1 GLN 133 -11.186 28.104 53.534 1.00 71.65 O ATOM 114 NE2 GLN 133 -10.975 28.687 51.348 1.00 71.65 N ATOM 115 C GLN 133 -14.566 29.462 55.724 1.00 71.65 C ATOM 116 O GLN 133 -15.115 30.346 56.379 1.00 71.65 O ATOM 117 N SER 134 -14.275 28.246 56.233 1.00 70.47 N ATOM 118 CA SER 134 -14.584 27.834 57.573 1.00 70.47 C ATOM 119 CB SER 134 -14.218 26.367 57.843 1.00 70.47 C ATOM 120 OG SER 134 -12.818 26.191 57.688 1.00 70.47 O ATOM 121 C SER 134 -13.803 28.655 58.548 1.00 70.47 C ATOM 122 O SER 134 -14.323 29.034 59.595 1.00 70.47 O ATOM 123 N SER 135 -12.532 28.956 58.231 1.00 22.48 N ATOM 124 CA SER 135 -11.704 29.684 59.150 1.00 22.48 C ATOM 125 CB SER 135 -10.277 29.894 58.621 1.00 22.48 C ATOM 126 OG SER 135 -10.318 30.684 57.443 1.00 22.48 O ATOM 127 C SER 135 -12.303 31.033 59.377 1.00 22.48 C ATOM 128 O SER 135 -12.306 31.536 60.500 1.00 22.48 O ATOM 129 N HIS 136 -12.834 31.652 58.305 1.00 27.82 N ATOM 130 CA HIS 136 -13.408 32.964 58.406 1.00 27.82 C ATOM 131 ND1 HIS 136 -12.464 32.969 55.031 1.00 27.82 N ATOM 132 CG HIS 136 -12.798 33.792 56.085 1.00 27.82 C ATOM 133 CB HIS 136 -13.904 33.522 57.059 1.00 27.82 C ATOM 134 NE2 HIS 136 -11.058 34.692 54.965 1.00 27.82 N ATOM 135 CD2 HIS 136 -11.929 34.839 56.029 1.00 27.82 C ATOM 136 CE1 HIS 136 -11.418 33.555 54.395 1.00 27.82 C ATOM 137 C HIS 136 -14.596 32.884 59.303 1.00 27.82 C ATOM 138 O HIS 136 -14.814 33.752 60.146 1.00 27.82 O ATOM 139 N LEU 137 -15.392 31.814 59.145 1.00102.19 N ATOM 140 CA LEU 137 -16.577 31.646 59.927 1.00102.19 C ATOM 141 CB LEU 137 -17.306 30.342 59.535 1.00102.19 C ATOM 142 CG LEU 137 -18.543 29.958 60.376 1.00102.19 C ATOM 143 CD1 LEU 137 -18.147 29.446 61.769 1.00102.19 C ATOM 144 CD2 LEU 137 -19.558 31.107 60.435 1.00102.19 C ATOM 145 C LEU 137 -16.174 31.594 61.367 1.00102.19 C ATOM 146 O LEU 137 -16.811 32.219 62.214 1.00102.19 O ATOM 147 N ASN 138 -15.079 30.874 61.680 1.00 32.67 N ATOM 148 CA ASN 138 -14.663 30.734 63.048 1.00 32.67 C ATOM 149 CB ASN 138 -13.399 29.871 63.220 1.00 32.67 C ATOM 150 CG ASN 138 -13.755 28.425 62.918 1.00 32.67 C ATOM 151 OD1 ASN 138 -14.922 28.084 62.733 1.00 32.67 O ATOM 152 ND2 ASN 138 -12.720 27.542 62.883 1.00 32.67 N ATOM 153 C ASN 138 -14.339 32.078 63.615 1.00 32.67 C ATOM 154 O ASN 138 -14.761 32.408 64.722 1.00 32.67 O ATOM 155 N TYR 139 -13.593 32.907 62.864 1.00 70.07 N ATOM 156 CA TYR 139 -13.211 34.169 63.423 1.00 70.07 C ATOM 157 CB TYR 139 -12.327 35.011 62.489 1.00 70.07 C ATOM 158 CG TYR 139 -11.770 36.126 63.306 1.00 70.07 C ATOM 159 CD1 TYR 139 -10.626 35.933 64.048 1.00 70.07 C ATOM 160 CD2 TYR 139 -12.380 37.358 63.341 1.00 70.07 C ATOM 161 CE1 TYR 139 -10.098 36.948 64.811 1.00 70.07 C ATOM 162 CE2 TYR 139 -11.858 38.378 64.103 1.00 70.07 C ATOM 163 CZ TYR 139 -10.712 38.176 64.837 1.00 70.07 C ATOM 164 OH TYR 139 -10.176 39.219 65.620 1.00 70.07 O ATOM 165 C TYR 139 -14.471 34.930 63.669 1.00 70.07 C ATOM 166 O TYR 139 -14.647 35.532 64.728 1.00 70.07 O ATOM 167 N HIS 140 -15.387 34.901 62.683 1.00 28.39 N ATOM 168 CA HIS 140 -16.653 35.556 62.814 1.00 28.39 C ATOM 169 ND1 HIS 140 -19.217 37.180 61.579 1.00 28.39 N ATOM 170 CG HIS 140 -18.965 35.847 61.812 1.00 28.39 C ATOM 171 CB HIS 140 -17.619 35.200 61.672 1.00 28.39 C ATOM 172 NE2 HIS 140 -21.150 36.265 62.183 1.00 28.39 N ATOM 173 CD2 HIS 140 -20.158 35.303 62.179 1.00 28.39 C ATOM 174 CE1 HIS 140 -20.539 37.376 61.815 1.00 28.39 C ATOM 175 C HIS 140 -17.278 35.084 64.116 1.00 28.39 C ATOM 176 O HIS 140 -17.814 35.943 64.865 1.00 28.39 O ATOM 177 OXT HIS 140 -17.226 33.855 64.380 1.00 28.39 O