EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:04:43 REMARK 6 MODELLER OBJECTIVE FUNCTION: 107.7664 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1421.65955 REMARK 6 GA341 score: 0.99757 REMARK 6 Normalized DOPE score: -0.79922 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 138 -4.688 25.889 45.158 1.00 68.09 N ATOM 2 CA GLU 138 -5.825 24.994 45.480 1.00 68.09 C ATOM 3 CB GLU 138 -5.859 23.779 44.529 1.00 68.09 C ATOM 4 CG GLU 138 -6.110 24.129 43.059 1.00 68.09 C ATOM 5 CD GLU 138 -6.403 22.833 42.306 1.00 68.09 C ATOM 6 OE1 GLU 138 -6.818 21.853 42.979 1.00 68.09 O ATOM 7 OE2 GLU 138 -6.214 22.808 41.060 1.00 68.09 O ATOM 8 C GLU 138 -5.692 24.490 46.880 1.00 68.09 C ATOM 9 O GLU 138 -4.671 23.911 47.252 1.00 68.09 O ATOM 10 N LYS 139 -6.733 24.720 47.704 1.00 80.84 N ATOM 11 CA LYS 139 -6.699 24.284 49.071 1.00 80.84 C ATOM 12 CB LYS 139 -7.027 25.422 50.060 1.00 80.84 C ATOM 13 CG LYS 139 -6.013 26.570 49.982 1.00 80.84 C ATOM 14 CD LYS 139 -6.416 27.828 50.757 1.00 80.84 C ATOM 15 CE LYS 139 -7.456 28.671 50.021 1.00 80.84 C ATOM 16 NZ LYS 139 -7.735 29.910 50.778 1.00 80.84 N ATOM 17 C LYS 139 -7.745 23.217 49.219 1.00 80.84 C ATOM 18 O LYS 139 -8.929 23.485 49.418 1.00 80.84 O ATOM 19 N PRO 140 -7.302 21.995 49.122 1.00125.27 N ATOM 20 CA PRO 140 -8.150 20.836 49.156 1.00125.27 C ATOM 21 CD PRO 140 -5.915 21.675 48.832 1.00125.27 C ATOM 22 CB PRO 140 -7.256 19.661 48.749 1.00125.27 C ATOM 23 CG PRO 140 -5.824 20.152 49.032 1.00125.27 C ATOM 24 C PRO 140 -8.856 20.579 50.450 1.00125.27 C ATOM 25 O PRO 140 -9.932 19.985 50.412 1.00125.27 O ATOM 26 N PHE 141 -8.306 20.989 51.605 1.00 66.87 N ATOM 27 CA PHE 141 -8.967 20.561 52.803 1.00 66.87 C ATOM 28 CB PHE 141 -8.033 19.921 53.844 1.00 66.87 C ATOM 29 CG PHE 141 -7.589 18.608 53.285 1.00 66.87 C ATOM 30 CD1 PHE 141 -8.476 17.562 53.192 1.00 66.87 C ATOM 31 CD2 PHE 141 -6.294 18.407 52.872 1.00 66.87 C ATOM 32 CE1 PHE 141 -8.089 16.344 52.688 1.00 66.87 C ATOM 33 CE2 PHE 141 -5.898 17.191 52.364 1.00 66.87 C ATOM 34 CZ PHE 141 -6.797 16.158 52.267 1.00 66.87 C ATOM 35 C PHE 141 -9.699 21.694 53.438 1.00 66.87 C ATOM 36 O PHE 141 -9.157 22.774 53.667 1.00 66.87 O ATOM 37 N SER 142 -10.979 21.440 53.776 1.00 79.49 N ATOM 38 CA SER 142 -11.807 22.486 54.289 1.00 79.49 C ATOM 39 CB SER 142 -13.083 22.691 53.461 1.00 79.49 C ATOM 40 OG SER 142 -13.899 23.694 54.049 1.00 79.49 O ATOM 41 C SER 142 -12.223 22.170 55.685 1.00 79.49 C ATOM 42 O SER 142 -12.387 21.008 56.061 1.00 79.49 O ATOM 43 N CYS 143 -12.382 23.241 56.487 1.00 39.61 N ATOM 44 CA CYS 143 -12.806 23.093 57.843 1.00 39.61 C ATOM 45 CB CYS 143 -12.303 24.208 58.783 1.00 39.61 C ATOM 46 SG CYS 143 -12.863 23.982 60.497 1.00 39.61 S ATOM 47 C CYS 143 -14.294 23.156 57.824 1.00 39.61 C ATOM 48 O CYS 143 -14.887 24.115 57.336 1.00 39.61 O ATOM 49 N THR 144 -14.945 22.121 58.368 1.00109.26 N ATOM 50 CA THR 144 -16.373 22.075 58.314 1.00109.26 C ATOM 51 CB THR 144 -16.922 20.803 58.873 1.00109.26 C ATOM 52 OG1 THR 144 -18.337 20.797 58.773 1.00109.26 O ATOM 53 CG2 THR 144 -16.462 20.657 60.334 1.00109.26 C ATOM 54 C THR 144 -16.974 23.202 59.083 1.00109.26 C ATOM 55 O THR 144 -17.993 23.751 58.665 1.00109.26 O ATOM 56 N GLN 145 -16.410 23.537 60.260 1.00111.40 N ATOM 57 CA GLN 145 -17.058 24.556 61.031 1.00111.40 C ATOM 58 CB GLN 145 -16.555 24.619 62.483 1.00111.40 C ATOM 59 CG GLN 145 -17.398 25.555 63.352 1.00111.40 C ATOM 60 CD GLN 145 -18.839 25.043 63.332 1.00111.40 C ATOM 61 OE1 GLN 145 -19.098 23.846 63.449 1.00111.40 O ATOM 62 NE2 GLN 145 -19.816 25.970 63.157 1.00111.40 N ATOM 63 C GLN 145 -16.937 25.936 60.441 1.00111.40 C ATOM 64 O GLN 145 -17.954 26.573 60.168 1.00111.40 O ATOM 65 N CYS 146 -15.694 26.436 60.246 1.00 59.63 N ATOM 66 CA CYS 146 -15.465 27.771 59.747 1.00 59.63 C ATOM 67 CB CYS 146 -14.062 28.308 60.085 1.00 59.63 C ATOM 68 SG CYS 146 -12.716 27.357 59.325 1.00 59.63 S ATOM 69 C CYS 146 -15.665 27.879 58.268 1.00 59.63 C ATOM 70 O CYS 146 -16.213 28.868 57.785 1.00 59.63 O ATOM 71 N GLY 147 -15.222 26.868 57.496 1.00 30.58 N ATOM 72 CA GLY 147 -15.346 26.954 56.066 1.00 30.58 C ATOM 73 C GLY 147 -14.030 27.362 55.467 1.00 30.58 C ATOM 74 O GLY 147 -13.908 27.468 54.249 1.00 30.58 O ATOM 75 N LYS 148 -12.997 27.593 56.300 1.00 93.64 N ATOM 76 CA LYS 148 -11.720 27.975 55.763 1.00 93.64 C ATOM 77 CB LYS 148 -10.688 28.404 56.820 1.00 93.64 C ATOM 78 CG LYS 148 -9.333 28.810 56.228 1.00 93.64 C ATOM 79 CD LYS 148 -8.304 29.249 57.271 1.00 93.64 C ATOM 80 CE LYS 148 -8.608 30.606 57.893 1.00 93.64 C ATOM 81 NZ LYS 148 -8.008 30.689 59.242 1.00 93.64 N ATOM 82 C LYS 148 -11.123 26.789 55.071 1.00 93.64 C ATOM 83 O LYS 148 -11.303 25.650 55.495 1.00 93.64 O ATOM 84 N SER 149 -10.375 27.045 53.977 1.00 95.65 N ATOM 85 CA SER 149 -9.748 25.974 53.255 1.00 95.65 C ATOM 86 CB SER 149 -10.127 25.961 51.759 1.00 95.65 C ATOM 87 OG SER 149 -9.909 27.240 51.183 1.00 95.65 O ATOM 88 C SER 149 -8.258 26.099 53.420 1.00 95.65 C ATOM 89 O SER 149 -7.720 27.195 53.568 1.00 95.65 O ATOM 90 N PHE 150 -7.551 24.945 53.425 1.00149.41 N ATOM 91 CA PHE 150 -6.128 24.926 53.651 1.00149.41 C ATOM 92 CB PHE 150 -5.760 24.233 54.975 1.00149.41 C ATOM 93 CG PHE 150 -6.306 25.038 56.102 1.00149.41 C ATOM 94 CD1 PHE 150 -7.599 24.851 56.527 1.00149.41 C ATOM 95 CD2 PHE 150 -5.532 25.988 56.723 1.00149.41 C ATOM 96 CE1 PHE 150 -8.110 25.587 57.568 1.00149.41 C ATOM 97 CE2 PHE 150 -6.034 26.728 57.766 1.00149.41 C ATOM 98 CZ PHE 150 -7.326 26.530 58.188 1.00149.41 C ATOM 99 C PHE 150 -5.455 24.126 52.573 1.00149.41 C ATOM 100 O PHE 150 -6.019 23.186 52.018 1.00149.41 O ATOM 101 N ARG 151 -4.211 24.521 52.237 1.00165.81 N ATOM 102 CA ARG 151 -3.427 23.839 51.251 1.00165.81 C ATOM 103 CB ARG 151 -2.153 24.597 50.860 1.00165.81 C ATOM 104 CG ARG 151 -1.225 24.839 52.046 1.00165.81 C ATOM 105 CD ARG 151 0.073 25.541 51.654 1.00165.81 C ATOM 106 NE ARG 151 -0.302 26.769 50.899 1.00165.81 N ATOM 107 CZ ARG 151 -0.555 27.941 51.553 1.00165.81 C ATOM 108 NH1 ARG 151 -0.429 28.012 52.910 1.00165.81 N ATOM 109 NH2 ARG 151 -0.952 29.032 50.838 1.00165.81 N ATOM 110 C ARG 151 -2.993 22.516 51.800 1.00165.81 C ATOM 111 O ARG 151 -2.877 21.540 51.060 1.00165.81 O ATOM 112 N GLN 152 -2.725 22.455 53.123 1.00 77.13 N ATOM 113 CA GLN 152 -2.168 21.256 53.691 1.00 77.13 C ATOM 114 CB GLN 152 -0.845 21.512 54.441 1.00 77.13 C ATOM 115 CG GLN 152 0.337 21.979 53.573 1.00 77.13 C ATOM 116 CD GLN 152 1.065 20.760 53.015 1.00 77.13 C ATOM 117 OE1 GLN 152 1.027 19.683 53.606 1.00 77.13 O ATOM 118 NE2 GLN 152 1.750 20.924 51.850 1.00 77.13 N ATOM 119 C GLN 152 -3.123 20.642 54.682 1.00 77.13 C ATOM 120 O GLN 152 -3.796 21.336 55.444 1.00 77.13 O ATOM 121 N SER 153 -3.165 19.291 54.697 1.00 68.93 N ATOM 122 CA SER 153 -4.017 18.508 55.550 1.00 68.93 C ATOM 123 CB SER 153 -3.907 16.997 55.249 1.00 68.93 C ATOM 124 OG SER 153 -4.785 16.252 56.081 1.00 68.93 O ATOM 125 C SER 153 -3.613 18.715 56.977 1.00 68.93 C ATOM 126 O SER 153 -4.464 18.785 57.863 1.00 68.93 O ATOM 127 N SER 154 -2.294 18.815 57.231 1.00 68.15 N ATOM 128 CA SER 154 -1.798 18.948 58.569 1.00 68.15 C ATOM 129 CB SER 154 -0.266 18.889 58.649 1.00 68.15 C ATOM 130 OG SER 154 0.135 18.925 60.010 1.00 68.15 O ATOM 131 C SER 154 -2.224 20.267 59.135 1.00 68.15 C ATOM 132 O SER 154 -2.587 20.350 60.307 1.00 68.15 O ATOM 133 N TYR 155 -2.194 21.336 58.318 1.00132.85 N ATOM 134 CA TYR 155 -2.519 22.645 58.808 1.00132.85 C ATOM 135 CB TYR 155 -2.296 23.740 57.744 1.00132.85 C ATOM 136 CG TYR 155 -2.199 25.070 58.412 1.00132.85 C ATOM 137 CD1 TYR 155 -3.323 25.803 58.726 1.00132.85 C ATOM 138 CD2 TYR 155 -0.959 25.582 58.732 1.00132.85 C ATOM 139 CE1 TYR 155 -3.212 27.028 59.343 1.00132.85 C ATOM 140 CE2 TYR 155 -0.840 26.805 59.347 1.00132.85 C ATOM 141 CZ TYR 155 -1.968 27.534 59.641 1.00132.85 C ATOM 142 OH TYR 155 -1.836 28.791 60.269 1.00132.85 O ATOM 143 C TYR 155 -3.963 22.629 59.206 1.00132.85 C ATOM 144 O TYR 155 -4.336 23.166 60.247 1.00132.85 O ATOM 145 N LEU 156 -4.800 21.976 58.380 1.00110.16 N ATOM 146 CA LEU 156 -6.209 21.897 58.626 1.00110.16 C ATOM 147 CB LEU 156 -6.905 21.082 57.516 1.00110.16 C ATOM 148 CG LEU 156 -8.425 20.866 57.675 1.00110.16 C ATOM 149 CD1 LEU 156 -8.752 19.852 58.785 1.00110.16 C ATOM 150 CD2 LEU 156 -9.176 22.195 57.842 1.00110.16 C ATOM 151 C LEU 156 -6.423 21.227 59.953 1.00110.16 C ATOM 152 O LEU 156 -7.234 21.669 60.767 1.00110.16 O ATOM 153 N ASN 157 -5.674 20.147 60.230 1.00 70.67 N ATOM 154 CA ASN 157 -5.862 19.449 61.464 1.00 70.67 C ATOM 155 CB ASN 157 -4.983 18.191 61.559 1.00 70.67 C ATOM 156 CG ASN 157 -5.634 17.233 62.543 1.00 70.67 C ATOM 157 OD1 ASN 157 -6.611 16.560 62.210 1.00 70.67 O ATOM 158 ND2 ASN 157 -5.064 17.150 63.776 1.00 70.67 N ATOM 159 C ASN 157 -5.526 20.380 62.595 1.00 70.67 C ATOM 160 O ASN 157 -6.237 20.416 63.598 1.00 70.67 O ATOM 161 N GLU 158 -4.444 21.176 62.461 1.00 26.05 N ATOM 162 CA GLU 158 -4.073 22.070 63.521 1.00 26.05 C ATOM 163 CB GLU 158 -2.774 22.844 63.244 1.00 26.05 C ATOM 164 CG GLU 158 -1.538 21.947 63.160 1.00 26.05 C ATOM 165 CD GLU 158 -0.296 22.833 63.198 1.00 26.05 C ATOM 166 OE1 GLU 158 -0.436 24.085 63.152 1.00 26.05 O ATOM 167 OE2 GLU 158 0.820 22.255 63.281 1.00 26.05 O ATOM 168 C GLU 158 -5.169 23.070 63.692 1.00 26.05 C ATOM 169 O GLU 158 -5.525 23.415 64.817 1.00 26.05 O ATOM 170 N HIS 159 -5.747 23.558 62.580 1.00 51.60 N ATOM 171 CA HIS 159 -6.780 24.546 62.685 1.00 51.60 C ATOM 172 ND1 HIS 159 -8.271 27.398 61.452 1.00 51.60 N ATOM 173 CG HIS 159 -8.428 26.032 61.471 1.00 51.60 C ATOM 174 CB HIS 159 -7.292 25.059 61.329 1.00 51.60 C ATOM 175 NE2 HIS 159 -10.442 27.012 61.741 1.00 51.60 N ATOM 176 CD2 HIS 159 -9.761 25.810 61.648 1.00 51.60 C ATOM 177 CE1 HIS 159 -9.507 27.934 61.618 1.00 51.60 C ATOM 178 C HIS 159 -7.968 23.990 63.404 1.00 51.60 C ATOM 179 O HIS 159 -8.475 24.625 64.323 1.00 51.60 O ATOM 180 N MET 160 -8.456 22.789 63.030 1.00 69.42 N ATOM 181 CA MET 160 -9.628 22.292 63.699 1.00 69.42 C ATOM 182 CB MET 160 -10.206 21.003 63.080 1.00 69.42 C ATOM 183 CG MET 160 -9.287 19.785 63.231 1.00 69.42 C ATOM 184 SD MET 160 -10.067 18.200 62.806 1.00 69.42 S ATOM 185 CE MET 160 -10.995 18.088 64.362 1.00 69.42 C ATOM 186 C MET 160 -9.295 21.988 65.158 1.00 69.42 C ATOM 187 O MET 160 -10.256 21.756 65.942 1.00 69.42 O ATOM 188 OXT MET 160 -8.084 21.983 65.505 1.00 69.42 O