EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:05 REMARK 6 MODELLER OBJECTIVE FUNCTION: 129.5035 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1683.57520 REMARK 6 GA341 score: 0.89359 REMARK 6 Normalized DOPE score: -0.53451 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 48.0% ATOM 1 N GLU 119 -1.637 18.687 40.271 1.00 65.99 N ATOM 2 CA GLU 119 -2.849 19.507 40.473 1.00 65.99 C ATOM 3 CB GLU 119 -4.004 18.625 40.951 1.00 65.99 C ATOM 4 CG GLU 119 -4.406 17.541 39.957 1.00 65.99 C ATOM 5 CD GLU 119 -5.406 16.660 40.679 1.00 65.99 C ATOM 6 OE1 GLU 119 -5.284 16.540 41.928 1.00 65.99 O ATOM 7 OE2 GLU 119 -6.306 16.106 39.999 1.00 65.99 O ATOM 8 C GLU 119 -2.603 20.520 41.538 1.00 65.99 C ATOM 9 O GLU 119 -1.544 20.529 42.165 1.00 65.99 O ATOM 10 N ARG 120 -3.575 21.428 41.746 1.00170.40 N ATOM 11 CA ARG 120 -3.422 22.399 42.789 1.00170.40 C ATOM 12 CB ARG 120 -3.091 23.808 42.261 1.00170.40 C ATOM 13 CG ARG 120 -4.052 24.303 41.182 1.00170.40 C ATOM 14 CD ARG 120 -3.393 24.445 39.806 1.00170.40 C ATOM 15 NE ARG 120 -2.520 25.651 39.856 1.00170.40 N ATOM 16 CZ ARG 120 -1.762 26.014 38.779 1.00170.40 C ATOM 17 NH1 ARG 120 -1.740 25.242 37.654 1.00170.40 N ATOM 18 NH2 ARG 120 -1.031 27.165 38.843 1.00170.40 N ATOM 19 C ARG 120 -4.685 22.450 43.604 1.00170.40 C ATOM 20 O ARG 120 -5.692 23.045 43.235 1.00170.40 O ATOM 21 N PRO 121 -4.585 21.778 44.719 1.00125.29 N ATOM 22 CA PRO 121 -5.615 21.631 45.720 1.00125.29 C ATOM 23 CD PRO 121 -3.448 20.913 44.955 1.00125.29 C ATOM 24 CB PRO 121 -5.152 20.471 46.607 1.00125.29 C ATOM 25 CG PRO 121 -3.630 20.415 46.395 1.00125.29 C ATOM 26 C PRO 121 -5.936 22.849 46.538 1.00125.29 C ATOM 27 O PRO 121 -7.067 22.948 47.013 1.00125.29 O ATOM 28 N PHE 122 -4.987 23.789 46.734 1.00 63.80 N ATOM 29 CA PHE 122 -5.272 24.858 47.654 1.00 63.80 C ATOM 30 CB PHE 122 -4.117 25.124 48.631 1.00 63.80 C ATOM 31 CG PHE 122 -3.992 23.849 49.387 1.00 63.80 C ATOM 32 CD1 PHE 122 -4.808 23.592 50.464 1.00 63.80 C ATOM 33 CD2 PHE 122 -3.075 22.899 49.002 1.00 63.80 C ATOM 34 CE1 PHE 122 -4.698 22.413 51.159 1.00 63.80 C ATOM 35 CE2 PHE 122 -2.961 21.717 49.693 1.00 63.80 C ATOM 36 CZ PHE 122 -3.774 21.474 50.773 1.00 63.80 C ATOM 37 C PHE 122 -5.566 26.116 46.904 1.00 63.80 C ATOM 38 O PHE 122 -4.743 26.602 46.129 1.00 63.80 O ATOM 39 N LYS 123 -6.762 26.687 47.170 1.00 72.70 N ATOM 40 CA LYS 123 -7.268 27.845 46.484 1.00 72.70 C ATOM 41 CB LYS 123 -8.740 27.638 46.051 1.00 72.70 C ATOM 42 CG LYS 123 -9.378 28.751 45.208 1.00 72.70 C ATOM 43 CD LYS 123 -10.713 28.320 44.578 1.00 72.70 C ATOM 44 CE LYS 123 -11.525 29.441 43.917 1.00 72.70 C ATOM 45 NZ LYS 123 -10.972 29.793 42.586 1.00 72.70 N ATOM 46 C LYS 123 -7.226 29.031 47.413 1.00 72.70 C ATOM 47 O LYS 123 -7.548 28.922 48.596 1.00 72.70 O ATOM 48 N CYS 124 -6.794 30.200 46.883 1.00 54.64 N ATOM 49 CA CYS 124 -6.725 31.443 47.611 1.00 54.64 C ATOM 50 CB CYS 124 -5.741 32.454 46.985 1.00 54.64 C ATOM 51 SG CYS 124 -5.647 34.047 47.855 1.00 54.64 S ATOM 52 C CYS 124 -8.070 32.079 47.591 1.00 54.64 C ATOM 53 O CYS 124 -8.660 32.255 46.529 1.00 54.64 O ATOM 54 N THR 125 -8.593 32.470 48.768 1.00101.81 N ATOM 55 CA THR 125 -9.909 33.043 48.781 1.00101.81 C ATOM 56 CB THR 125 -10.466 33.299 50.154 1.00101.81 C ATOM 57 OG1 THR 125 -10.583 32.089 50.890 1.00101.81 O ATOM 58 CG2 THR 125 -11.840 33.968 49.985 1.00101.81 C ATOM 59 C THR 125 -9.939 34.343 48.026 1.00101.81 C ATOM 60 O THR 125 -10.865 34.569 47.244 1.00101.81 O ATOM 61 N PRO 126 -9.010 35.244 48.239 1.00128.07 N ATOM 62 CA PRO 126 -9.079 36.478 47.501 1.00128.07 C ATOM 63 CD PRO 126 -8.439 35.452 49.561 1.00128.07 C ATOM 64 CB PRO 126 -8.177 37.467 48.235 1.00128.07 C ATOM 65 CG PRO 126 -8.211 36.966 49.687 1.00128.07 C ATOM 66 C PRO 126 -8.853 36.448 46.020 1.00128.07 C ATOM 67 O PRO 126 -9.740 36.858 45.271 1.00128.07 O ATOM 68 N CYS 127 -7.655 35.986 45.608 1.00 99.00 N ATOM 69 CA CYS 127 -7.191 35.911 44.247 1.00 99.00 C ATOM 70 CB CYS 127 -5.668 35.692 44.173 1.00 99.00 C ATOM 71 SG CYS 127 -5.078 35.286 42.505 1.00 99.00 S ATOM 72 C CYS 127 -7.833 34.787 43.497 1.00 99.00 C ATOM 73 O CYS 127 -8.117 34.911 42.306 1.00 99.00 O ATOM 74 N ARG 128 -8.095 33.663 44.190 1.00114.67 N ATOM 75 CA ARG 128 -8.605 32.462 43.592 1.00114.67 C ATOM 76 CB ARG 128 -9.814 32.733 42.684 1.00114.67 C ATOM 77 CG ARG 128 -11.001 33.254 43.501 1.00114.67 C ATOM 78 CD ARG 128 -12.296 33.420 42.709 1.00114.67 C ATOM 79 NE ARG 128 -12.729 32.057 42.293 1.00114.67 N ATOM 80 CZ ARG 128 -12.777 31.729 40.969 1.00114.67 C ATOM 81 NH1 ARG 128 -12.446 32.661 40.030 1.00114.67 N ATOM 82 NH2 ARG 128 -13.179 30.485 40.578 1.00114.67 N ATOM 83 C ARG 128 -7.504 31.764 42.839 1.00114.67 C ATOM 84 O ARG 128 -7.755 30.919 41.981 1.00114.67 O ATOM 85 N LYS 129 -6.234 32.083 43.182 1.00 69.60 N ATOM 86 CA LYS 129 -5.106 31.409 42.598 1.00 69.60 C ATOM 87 CB LYS 129 -3.775 32.165 42.785 1.00 69.60 C ATOM 88 CG LYS 129 -2.635 31.648 41.904 1.00 69.60 C ATOM 89 CD LYS 129 -1.463 32.626 41.835 1.00 69.60 C ATOM 90 CE LYS 129 -0.473 32.329 40.710 1.00 69.60 C ATOM 91 NZ LYS 129 0.210 33.580 40.311 1.00 69.60 N ATOM 92 C LYS 129 -4.973 30.103 43.322 1.00 69.60 C ATOM 93 O LYS 129 -5.206 30.026 44.529 1.00 69.60 O ATOM 94 N SER 130 -4.583 29.031 42.604 1.00 54.06 N ATOM 95 CA SER 130 -4.487 27.750 43.248 1.00 54.06 C ATOM 96 CB SER 130 -5.280 26.647 42.526 1.00 54.06 C ATOM 97 OG SER 130 -6.674 26.880 42.674 1.00 54.06 O ATOM 98 C SER 130 -3.050 27.343 43.306 1.00 54.06 C ATOM 99 O SER 130 -2.252 27.740 42.460 1.00 54.06 O ATOM 100 N PHE 131 -2.681 26.550 44.338 1.00140.06 N ATOM 101 CA PHE 131 -1.314 26.150 44.519 1.00140.06 C ATOM 102 CB PHE 131 -0.635 26.806 45.734 1.00140.06 C ATOM 103 CG PHE 131 -0.471 28.260 45.461 1.00140.06 C ATOM 104 CD1 PHE 131 -1.487 29.136 45.764 1.00140.06 C ATOM 105 CD2 PHE 131 0.692 28.739 44.902 1.00140.06 C ATOM 106 CE1 PHE 131 -1.346 30.480 45.512 1.00140.06 C ATOM 107 CE2 PHE 131 0.833 30.083 44.652 1.00140.06 C ATOM 108 CZ PHE 131 -0.185 30.955 44.957 1.00140.06 C ATOM 109 C PHE 131 -1.255 24.680 44.776 1.00140.06 C ATOM 110 O PHE 131 -2.198 24.073 45.277 1.00140.06 O ATOM 111 N SER 132 -0.119 24.072 44.388 1.00 79.18 N ATOM 112 CA SER 132 0.116 22.678 44.601 1.00 79.18 C ATOM 113 CB SER 132 1.356 22.155 43.855 1.00 79.18 C ATOM 114 OG SER 132 1.596 20.799 44.204 1.00 79.18 O ATOM 115 C SER 132 0.378 22.450 46.053 1.00 79.18 C ATOM 116 O SER 132 0.060 21.391 46.593 1.00 79.18 O ATOM 117 N GLN 133 0.972 23.444 46.734 1.00100.07 N ATOM 118 CA GLN 133 1.392 23.193 48.081 1.00100.07 C ATOM 119 CB GLN 133 2.922 23.276 48.195 1.00100.07 C ATOM 120 CG GLN 133 3.432 24.678 47.850 1.00100.07 C ATOM 121 CD GLN 133 4.892 24.584 47.453 1.00100.07 C ATOM 122 OE1 GLN 133 5.709 24.008 48.169 1.00100.07 O ATOM 123 NE2 GLN 133 5.217 25.140 46.254 1.00100.07 N ATOM 124 C GLN 133 0.770 24.190 49.005 1.00100.07 C ATOM 125 O GLN 133 0.610 25.363 48.671 1.00100.07 O ATOM 126 N LEU 134 0.408 23.722 50.214 1.00 74.35 N ATOM 127 CA LEU 134 -0.232 24.521 51.215 1.00 74.35 C ATOM 128 CB LEU 134 -0.589 23.694 52.460 1.00 74.35 C ATOM 129 CG LEU 134 -1.293 24.498 53.568 1.00 74.35 C ATOM 130 CD1 LEU 134 -2.678 24.976 53.099 1.00 74.35 C ATOM 131 CD2 LEU 134 -1.336 23.722 54.898 1.00 74.35 C ATOM 132 C LEU 134 0.708 25.599 51.651 1.00 74.35 C ATOM 133 O LEU 134 0.298 26.744 51.837 1.00 74.35 O ATOM 134 N SER 135 2.000 25.258 51.815 1.00 28.45 N ATOM 135 CA SER 135 2.971 26.200 52.294 1.00 28.45 C ATOM 136 CB SER 135 4.371 25.578 52.441 1.00 28.45 C ATOM 137 OG SER 135 4.859 25.164 51.172 1.00 28.45 O ATOM 138 C SER 135 3.090 27.351 51.339 1.00 28.45 C ATOM 139 O SER 135 3.201 28.499 51.767 1.00 28.45 O ATOM 140 N SER 136 3.086 27.083 50.018 1.00 65.58 N ATOM 141 CA SER 136 3.239 28.136 49.052 1.00 65.58 C ATOM 142 CB SER 136 3.333 27.620 47.609 1.00 65.58 C ATOM 143 OG SER 136 3.449 28.723 46.722 1.00 65.58 O ATOM 144 C SER 136 2.050 29.034 49.116 1.00 65.58 C ATOM 145 O SER 136 2.160 30.253 48.994 1.00 65.58 O ATOM 146 N PHE 137 0.869 28.437 49.319 1.00 66.06 N ATOM 147 CA PHE 137 -0.353 29.173 49.378 1.00 66.06 C ATOM 148 CB PHE 137 -1.534 28.199 49.504 1.00 66.06 C ATOM 149 CG PHE 137 -2.743 29.000 49.770 1.00 66.06 C ATOM 150 CD1 PHE 137 -3.233 29.802 48.779 1.00 66.06 C ATOM 151 CD2 PHE 137 -3.345 28.981 51.008 1.00 66.06 C ATOM 152 CE1 PHE 137 -4.340 30.553 49.026 1.00 66.06 C ATOM 153 CE2 PHE 137 -4.463 29.736 51.249 1.00 66.06 C ATOM 154 CZ PHE 137 -4.965 30.519 50.244 1.00 66.06 C ATOM 155 C PHE 137 -0.297 30.111 50.550 1.00 66.06 C ATOM 156 O PHE 137 -0.695 31.273 50.457 1.00 66.06 O ATOM 157 N LYS 138 0.241 29.624 51.681 1.00105.93 N ATOM 158 CA LYS 138 0.308 30.360 52.910 1.00105.93 C ATOM 159 CB LYS 138 1.110 29.596 53.978 1.00105.93 C ATOM 160 CG LYS 138 0.954 30.149 55.398 1.00105.93 C ATOM 161 CD LYS 138 1.805 29.419 56.444 1.00105.93 C ATOM 162 CE LYS 138 3.217 30.010 56.539 1.00105.93 C ATOM 163 NZ LYS 138 3.889 29.612 57.798 1.00105.93 N ATOM 164 C LYS 138 1.067 31.627 52.678 1.00105.93 C ATOM 165 O LYS 138 0.619 32.707 53.058 1.00105.93 O ATOM 166 N GLN 139 2.240 31.521 52.029 1.00 77.09 N ATOM 167 CA GLN 139 3.068 32.670 51.825 1.00 77.09 C ATOM 168 CB GLN 139 4.438 32.325 51.215 1.00 77.09 C ATOM 169 CG GLN 139 5.277 31.386 52.090 1.00 77.09 C ATOM 170 CD GLN 139 5.401 32.006 53.476 1.00 77.09 C ATOM 171 OE1 GLN 139 5.720 33.186 53.612 1.00 77.09 O ATOM 172 NE2 GLN 139 5.131 31.193 54.534 1.00 77.09 N ATOM 173 C GLN 139 2.354 33.601 50.900 1.00 77.09 C ATOM 174 O GLN 139 2.429 34.819 51.049 1.00 77.09 O ATOM 175 N HIS 140 1.621 33.034 49.924 1.00 52.46 N ATOM 176 CA HIS 140 0.941 33.798 48.919 1.00 52.46 C ATOM 177 ND1 HIS 140 0.107 34.271 45.826 1.00 52.46 N ATOM 178 CG HIS 140 -0.537 33.655 46.876 1.00 52.46 C ATOM 179 CB HIS 140 0.164 32.895 47.953 1.00 52.46 C ATOM 180 NE2 HIS 140 -2.068 34.638 45.544 1.00 52.46 N ATOM 181 CD2 HIS 140 -1.865 33.891 46.689 1.00 52.46 C ATOM 182 CE1 HIS 140 -0.855 34.842 45.060 1.00 52.46 C ATOM 183 C HIS 140 -0.050 34.716 49.559 1.00 52.46 C ATOM 184 O HIS 140 -0.102 35.901 49.229 1.00 52.46 O ATOM 185 N MET 141 -0.852 34.199 50.507 1.00 43.05 N ATOM 186 CA MET 141 -1.847 35.022 51.135 1.00 43.05 C ATOM 187 CB MET 141 -2.774 34.273 52.112 1.00 43.05 C ATOM 188 CG MET 141 -3.702 33.251 51.447 1.00 43.05 C ATOM 189 SD MET 141 -4.928 32.505 52.572 1.00 43.05 S ATOM 190 CE MET 141 -6.125 33.866 52.514 1.00 43.05 C ATOM 191 C MET 141 -1.174 36.113 51.908 1.00 43.05 C ATOM 192 O MET 141 -1.686 37.228 51.995 1.00 43.05 O ATOM 193 N ARG 142 0.011 35.820 52.471 1.00100.08 N ATOM 194 CA ARG 142 0.699 36.720 53.348 1.00100.08 C ATOM 195 CB ARG 142 2.046 36.125 53.784 1.00100.08 C ATOM 196 CG ARG 142 1.842 34.780 54.493 1.00100.08 C ATOM 197 CD ARG 142 2.152 34.785 55.988 1.00100.08 C ATOM 198 NE ARG 142 3.608 34.525 56.109 1.00100.08 N ATOM 199 CZ ARG 142 4.350 35.173 57.049 1.00100.08 C ATOM 200 NH1 ARG 142 3.767 36.098 57.866 1.00100.08 N ATOM 201 NH2 ARG 142 5.680 34.893 57.155 1.00100.08 N ATOM 202 C ARG 142 0.930 38.026 52.656 1.00100.08 C ATOM 203 O ARG 142 0.769 39.081 53.268 1.00100.08 O ATOM 204 N ILE 143 1.311 38.023 51.367 1.00 66.76 N ATOM 205 CA ILE 143 1.487 39.314 50.775 1.00 66.76 C ATOM 206 CB ILE 143 2.361 39.332 49.563 1.00 66.76 C ATOM 207 CG1 ILE 143 2.712 40.790 49.211 1.00 66.76 C ATOM 208 CG2 ILE 143 1.631 38.576 48.440 1.00 66.76 C ATOM 209 CD1 ILE 143 3.847 40.925 48.200 1.00 66.76 C ATOM 210 C ILE 143 0.130 39.864 50.357 1.00 66.76 C ATOM 211 O ILE 143 -0.068 41.102 50.483 1.00 66.76 O ATOM 212 OXT ILE 143 -0.717 39.057 49.885 1.00 66.76 O