EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:32 REMARK 6 MODELLER OBJECTIVE FUNCTION: 92.2388 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 45.833 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1548.61182 REMARK 6 GA341 score: 0.99017 REMARK 6 Normalized DOPE score: -0.59810 REMARK 6 TEMPLATE: 1llmC01 101:C - 124:C MODELS 1: - 24: AT 45.8% ATOM 1 N GLU 119 -2.785 57.398 73.493 1.00 89.05 N ATOM 2 CA GLU 119 -2.059 56.203 73.977 1.00 89.05 C ATOM 3 CB GLU 119 -2.965 55.342 74.882 1.00 89.05 C ATOM 4 CG GLU 119 -4.304 54.945 74.260 1.00 89.05 C ATOM 5 CD GLU 119 -5.370 55.915 74.754 1.00 89.05 C ATOM 6 OE1 GLU 119 -5.324 57.112 74.364 1.00 89.05 O ATOM 7 OE2 GLU 119 -6.248 55.464 75.538 1.00 89.05 O ATOM 8 C GLU 119 -1.529 55.385 72.844 1.00 89.05 C ATOM 9 O GLU 119 -0.366 54.988 72.858 1.00 89.05 O ATOM 10 N LYS 120 -2.367 55.100 71.827 1.00157.42 N ATOM 11 CA LYS 120 -1.869 54.373 70.693 1.00157.42 C ATOM 12 CB LYS 120 -2.750 53.182 70.283 1.00157.42 C ATOM 13 CG LYS 120 -4.244 53.508 70.235 1.00157.42 C ATOM 14 CD LYS 120 -4.852 53.768 71.615 1.00157.42 C ATOM 15 CE LYS 120 -6.297 54.268 71.575 1.00157.42 C ATOM 16 NZ LYS 120 -6.319 55.721 71.286 1.00157.42 N ATOM 17 C LYS 120 -1.803 55.325 69.539 1.00157.42 C ATOM 18 O LYS 120 -2.811 55.672 68.927 1.00157.42 O ATOM 19 N PRO 121 -0.619 55.796 69.269 1.00 84.19 N ATOM 20 CA PRO 121 -0.388 56.719 68.190 1.00 84.19 C ATOM 21 CD PRO 121 0.401 55.893 70.298 1.00 84.19 C ATOM 22 CB PRO 121 0.893 57.477 68.551 1.00 84.19 C ATOM 23 CG PRO 121 1.576 56.599 69.610 1.00 84.19 C ATOM 24 C PRO 121 -0.343 56.143 66.806 1.00 84.19 C ATOM 25 O PRO 121 -0.480 56.912 65.856 1.00 84.19 O ATOM 26 N PHE 122 -0.139 54.823 66.636 1.00 59.92 N ATOM 27 CA PHE 122 0.049 54.375 65.285 1.00 59.92 C ATOM 28 CB PHE 122 1.312 53.520 65.092 1.00 59.92 C ATOM 29 CG PHE 122 2.472 54.412 65.365 1.00 59.92 C ATOM 30 CD1 PHE 122 2.952 54.564 66.645 1.00 59.92 C ATOM 31 CD2 PHE 122 3.075 55.106 64.342 1.00 59.92 C ATOM 32 CE1 PHE 122 4.020 55.391 66.898 1.00 59.92 C ATOM 33 CE2 PHE 122 4.144 55.934 64.588 1.00 59.92 C ATOM 34 CZ PHE 122 4.618 56.078 65.870 1.00 59.92 C ATOM 35 C PHE 122 -1.119 53.564 64.844 1.00 59.92 C ATOM 36 O PHE 122 -1.501 52.593 65.493 1.00 59.92 O ATOM 37 N THR 123 -1.702 53.940 63.688 1.00102.71 N ATOM 38 CA THR 123 -2.848 53.228 63.211 1.00102.71 C ATOM 39 CB THR 123 -4.068 54.087 63.033 0.50102.71 C ATOM 40 OG1 THR 123 -3.822 55.090 62.059 1.00102.71 O ATOM 41 CG2 THR 123 -4.425 54.734 64.383 1.00102.71 C ATOM 42 C THR 123 -2.529 52.623 61.883 1.00102.71 C ATOM 43 O THR 123 -1.776 53.180 61.084 1.00102.71 O ATOM 44 N CYS 124 -3.103 51.434 61.622 1.00 84.61 N ATOM 45 CA CYS 124 -2.876 50.783 60.369 1.00 84.61 C ATOM 46 CB CYS 124 -2.968 49.252 60.437 1.00 84.61 C ATOM 47 SG CYS 124 -4.656 48.693 60.797 1.00 84.61 S ATOM 48 C CYS 124 -3.946 51.261 59.442 1.00 84.61 C ATOM 49 O CYS 124 -5.111 51.385 59.819 1.00 84.61 O ATOM 50 N THR 125 -3.554 51.561 58.194 1.00103.19 N ATOM 51 CA THR 125 -4.471 52.089 57.229 1.00103.19 C ATOM 52 CB THR 125 -3.800 52.547 55.968 1.00103.19 C ATOM 53 OG1 THR 125 -4.718 53.277 55.166 1.00103.19 O ATOM 54 CG2 THR 125 -3.287 51.317 55.202 1.00103.19 C ATOM 55 C THR 125 -5.497 51.065 56.855 1.00103.19 C ATOM 56 O THR 125 -6.655 51.411 56.618 1.00103.19 O ATOM 57 N GLN 126 -5.096 49.783 56.741 1.00 88.56 N ATOM 58 CA GLN 126 -6.034 48.794 56.285 1.00 88.56 C ATOM 59 CB GLN 126 -5.368 47.412 56.137 1.00 88.56 C ATOM 60 CG GLN 126 -4.260 47.346 55.082 1.00 88.56 C ATOM 61 CD GLN 126 -4.909 47.054 53.740 1.00 88.56 C ATOM 62 OE1 GLN 126 -4.282 47.185 52.689 1.00 88.56 O ATOM 63 NE2 GLN 126 -6.204 46.642 53.774 1.00 88.56 N ATOM 64 C GLN 126 -7.156 48.600 57.263 1.00 88.56 C ATOM 65 O GLN 126 -8.316 48.870 56.951 1.00 88.56 O ATOM 66 N CYS 127 -6.820 48.118 58.478 1.00 95.57 N ATOM 67 CA CYS 127 -7.765 47.829 59.525 1.00 95.57 C ATOM 68 CB CYS 127 -7.155 46.922 60.605 1.00 95.57 C ATOM 69 SG CYS 127 -8.304 46.539 61.953 1.00 95.57 S ATOM 70 C CYS 127 -8.265 49.078 60.180 1.00 95.57 C ATOM 71 O CYS 127 -9.457 49.218 60.445 1.00 95.57 O ATOM 72 N GLY 128 -7.356 50.029 60.456 1.00 22.15 N ATOM 73 CA GLY 128 -7.741 51.233 61.137 1.00 22.15 C ATOM 74 C GLY 128 -7.523 51.042 62.612 1.00 22.15 C ATOM 75 O GLY 128 -7.842 51.918 63.415 1.00 22.15 O ATOM 76 N ARG 129 -6.963 49.880 63.007 1.00 79.32 N ATOM 77 CA ARG 129 -6.703 49.602 64.393 1.00 79.32 C ATOM 78 CB ARG 129 -6.351 48.124 64.651 1.00 79.32 C ATOM 79 CG ARG 129 -6.114 47.777 66.122 1.00 79.32 C ATOM 80 CD ARG 129 -5.614 46.346 66.334 1.00 79.32 C ATOM 81 NE ARG 129 -6.685 45.420 65.878 1.00 79.32 N ATOM 82 CZ ARG 129 -7.599 44.936 66.768 1.00 79.32 C ATOM 83 NH1 ARG 129 -7.515 45.272 68.089 1.00 79.32 N ATOM 84 NH2 ARG 129 -8.597 44.114 66.335 1.00 79.32 N ATOM 85 C ARG 129 -5.532 50.436 64.810 1.00 79.32 C ATOM 86 O ARG 129 -4.665 50.753 63.996 1.00 79.32 O ATOM 87 N SER 130 -5.481 50.830 66.101 1.00 77.84 N ATOM 88 CA SER 130 -4.392 51.653 66.538 1.00 77.84 C ATOM 89 CB SER 130 -4.833 52.935 67.246 1.00 77.84 C ATOM 90 OG SER 130 -3.687 53.723 67.512 1.00 77.84 O ATOM 91 C SER 130 -3.559 50.861 67.495 1.00 77.84 C ATOM 92 O SER 130 -4.054 49.956 68.164 1.00 77.84 O ATOM 93 N PHE 131 -2.250 51.181 67.571 1.00 58.12 N ATOM 94 CA PHE 131 -1.376 50.414 68.409 1.00 58.12 C ATOM 95 CB PHE 131 -0.429 49.506 67.606 1.00 58.12 C ATOM 96 CG PHE 131 -1.252 48.539 66.819 1.00 58.12 C ATOM 97 CD1 PHE 131 -1.804 48.916 65.616 1.00 58.12 C ATOM 98 CD2 PHE 131 -1.468 47.255 67.267 1.00 58.12 C ATOM 99 CE1 PHE 131 -2.559 48.041 64.872 1.00 58.12 C ATOM 100 CE2 PHE 131 -2.224 46.372 66.531 1.00 58.12 C ATOM 101 CZ PHE 131 -2.771 46.763 65.331 1.00 58.12 C ATOM 102 C PHE 131 -0.519 51.348 69.208 1.00 58.12 C ATOM 103 O PHE 131 -0.249 52.479 68.808 1.00 58.12 O ATOM 104 N SER 132 -0.088 50.877 70.393 1.00 38.57 N ATOM 105 CA SER 132 0.734 51.634 71.292 1.00 38.57 C ATOM 106 CB SER 132 0.830 50.993 72.686 1.00 38.57 C ATOM 107 OG SER 132 1.494 49.741 72.604 1.00 38.57 O ATOM 108 C SER 132 2.132 51.756 70.757 1.00 38.57 C ATOM 109 O SER 132 2.826 52.725 71.069 1.00 38.57 O ATOM 110 N GLN 133 2.599 50.776 69.952 1.00 79.68 N ATOM 111 CA GLN 133 3.968 50.842 69.510 1.00 79.68 C ATOM 112 CB GLN 133 4.838 49.698 70.061 1.00 79.68 C ATOM 113 CG GLN 133 4.992 49.726 71.583 1.00 79.68 C ATOM 114 CD GLN 133 5.901 50.890 71.952 1.00 79.68 C ATOM 115 OE1 GLN 133 5.800 51.451 73.042 1.00 79.68 O ATOM 116 NE2 GLN 133 6.819 51.262 71.020 1.00 79.68 N ATOM 117 C GLN 133 4.040 50.773 68.013 1.00 79.68 C ATOM 118 O GLN 133 3.313 50.018 67.369 1.00 79.68 O ATOM 119 N SER 134 4.954 51.577 67.429 1.00 29.86 N ATOM 120 CA SER 134 5.145 51.664 66.007 1.00 29.86 C ATOM 121 CB SER 134 6.133 52.774 65.611 1.00 29.86 C ATOM 122 OG SER 134 7.411 52.518 66.174 1.00 29.86 O ATOM 123 C SER 134 5.683 50.371 65.479 1.00 29.86 C ATOM 124 O SER 134 5.320 49.940 64.385 1.00 29.86 O ATOM 125 N SER 135 6.574 49.713 66.242 1.00 62.02 N ATOM 126 CA SER 135 7.155 48.488 65.775 1.00 62.02 C ATOM 127 CB SER 135 8.215 47.928 66.738 1.00 62.02 C ATOM 128 OG SER 135 9.300 48.836 66.848 1.00 62.02 O ATOM 129 C SER 135 6.066 47.474 65.664 1.00 62.02 C ATOM 130 O SER 135 6.039 46.675 64.729 1.00 62.02 O ATOM 131 N TYR 136 5.126 47.496 66.626 1.00130.57 N ATOM 132 CA TYR 136 4.050 46.551 66.651 1.00130.57 C ATOM 133 CB TYR 136 3.172 46.648 67.913 1.00130.57 C ATOM 134 CG TYR 136 2.254 45.472 67.890 1.00130.57 C ATOM 135 CD1 TYR 136 2.689 44.250 68.352 1.00130.57 C ATOM 136 CD2 TYR 136 0.969 45.581 67.411 1.00130.57 C ATOM 137 CE1 TYR 136 1.858 43.154 68.336 1.00130.57 C ATOM 138 CE2 TYR 136 0.133 44.487 67.391 1.00130.57 C ATOM 139 CZ TYR 136 0.577 43.272 67.854 1.00130.57 C ATOM 140 OH TYR 136 -0.280 42.150 67.835 1.00130.57 O ATOM 141 C TYR 136 3.182 46.794 65.456 1.00130.57 C ATOM 142 O TYR 136 2.649 45.855 64.867 1.00130.57 O ATOM 143 N LEU 137 2.993 48.071 65.077 1.00 97.21 N ATOM 144 CA LEU 137 2.140 48.365 63.963 1.00 97.21 C ATOM 145 CB LEU 137 2.042 49.874 63.661 0.50 97.21 C ATOM 146 CG LEU 137 0.931 50.287 62.667 0.50 97.21 C ATOM 147 CD1 LEU 137 1.074 49.637 61.285 0.50 97.21 C ATOM 148 CD2 LEU 137 -0.459 50.067 63.270 0.50 97.21 C ATOM 149 C LEU 137 2.741 47.710 62.757 1.00 97.21 C ATOM 150 O LEU 137 2.035 47.111 61.948 1.00 97.21 O ATOM 151 N ASN 138 4.077 47.790 62.611 1.00 71.47 N ATOM 152 CA ASN 138 4.707 47.248 61.440 1.00 71.47 C ATOM 153 CB ASN 138 6.229 47.473 61.416 1.00 71.47 C ATOM 154 CG ASN 138 6.726 47.143 60.016 1.00 71.47 C ATOM 155 OD1 ASN 138 6.529 47.913 59.077 1.00 71.47 O ATOM 156 ND2 ASN 138 7.396 45.968 59.869 1.00 71.47 N ATOM 157 C ASN 138 4.462 45.770 61.372 1.00 71.47 C ATOM 158 O ASN 138 4.117 45.241 60.317 1.00 71.47 O ATOM 159 N LYS 139 4.612 45.069 62.511 1.00 55.06 N ATOM 160 CA LYS 139 4.443 43.643 62.555 1.00 55.06 C ATOM 161 CB LYS 139 4.683 43.075 63.966 1.00 55.06 C ATOM 162 CG LYS 139 6.118 43.251 64.472 1.00 55.06 C ATOM 163 CD LYS 139 6.259 43.077 65.988 1.00 55.06 C ATOM 164 CE LYS 139 6.062 41.640 66.475 1.00 55.06 C ATOM 165 NZ LYS 139 6.123 41.595 67.953 1.00 55.06 N ATOM 166 C LYS 139 3.025 43.329 62.188 1.00 55.06 C ATOM 167 O LYS 139 2.753 42.378 61.457 1.00 55.06 O ATOM 168 N HIS 140 2.085 44.156 62.675 1.00 47.01 N ATOM 169 CA HIS 140 0.682 43.947 62.463 1.00 47.01 C ATOM 170 ND1 HIS 140 -2.491 44.002 63.387 1.00 47.01 N ATOM 171 CG HIS 140 -1.641 44.910 62.799 1.00 47.01 C ATOM 172 CB HIS 140 -0.179 45.042 63.114 1.00 47.01 C ATOM 173 NE2 HIS 140 -3.710 45.167 61.936 1.00 47.01 N ATOM 174 CD2 HIS 140 -2.401 45.614 61.916 1.00 47.01 C ATOM 175 CE1 HIS 140 -3.716 44.199 62.834 1.00 47.01 C ATOM 176 C HIS 140 0.384 43.964 61.002 1.00 47.01 C ATOM 177 O HIS 140 -0.420 43.167 60.519 1.00 47.01 O ATOM 178 N MET 141 1.045 44.858 60.247 1.00 98.88 N ATOM 179 CA MET 141 0.753 44.958 58.849 1.00 98.88 C ATOM 180 CB MET 141 1.615 45.998 58.115 1.00 98.88 C ATOM 181 CG MET 141 1.275 47.437 58.500 1.00 98.88 C ATOM 182 SD MET 141 -0.440 47.912 58.128 1.00 98.88 S ATOM 183 CE MET 141 -0.298 47.679 56.333 1.00 98.88 C ATOM 184 C MET 141 1.020 43.627 58.229 1.00 98.88 C ATOM 185 O MET 141 0.276 43.191 57.352 1.00 98.88 O ATOM 186 N MET 142 2.099 42.949 58.665 1.00 76.49 N ATOM 187 CA MET 142 2.412 41.645 58.154 1.00 76.49 C ATOM 188 CB MET 142 3.743 41.090 58.689 1.00 76.49 C ATOM 189 CG MET 142 4.979 41.797 58.135 1.00 76.49 C ATOM 190 SD MET 142 5.365 41.381 56.407 1.00 76.49 S ATOM 191 CE MET 142 3.929 42.231 55.693 1.00 76.49 C ATOM 192 C MET 142 1.321 40.677 58.608 1.00 76.49 C ATOM 193 O MET 142 0.169 40.771 58.104 1.00 76.49 O ATOM 194 OXT MET 142 1.640 39.809 59.464 1.00 76.49 O