EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:38 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.4692 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1371.79736 REMARK 6 GA341 score: 0.99965 REMARK 6 Normalized DOPE score: -0.25626 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 119 -9.203 17.730 40.330 1.00 62.94 N ATOM 2 CA GLU 119 -9.134 19.191 40.564 1.00 62.94 C ATOM 3 CB GLU 119 -9.857 19.959 39.445 1.00 62.94 C ATOM 4 CG GLU 119 -9.241 19.798 38.058 1.00 62.94 C ATOM 5 CD GLU 119 -10.084 20.613 37.090 1.00 62.94 C ATOM 6 OE1 GLU 119 -9.853 21.848 37.004 1.00 62.94 O ATOM 7 OE2 GLU 119 -10.975 20.016 36.430 1.00 62.94 O ATOM 8 C GLU 119 -9.846 19.520 41.829 1.00 62.94 C ATOM 9 O GLU 119 -10.340 18.636 42.527 1.00 62.94 O ATOM 10 N LYS 120 -9.884 20.822 42.165 1.00111.03 N ATOM 11 CA LYS 120 -10.603 21.257 43.321 1.00111.03 C ATOM 12 CB LYS 120 -9.694 21.957 44.338 1.00111.03 C ATOM 13 CG LYS 120 -8.490 21.092 44.721 1.00111.03 C ATOM 14 CD LYS 120 -7.448 20.992 43.601 1.00111.03 C ATOM 15 CE LYS 120 -6.259 20.088 43.931 1.00111.03 C ATOM 16 NZ LYS 120 -6.457 18.740 43.352 1.00111.03 N ATOM 17 C LYS 120 -11.586 22.260 42.815 1.00111.03 C ATOM 18 O LYS 120 -11.308 23.455 42.735 1.00111.03 O ATOM 19 N PRO 121 -12.735 21.763 42.458 1.00104.51 N ATOM 20 CA PRO 121 -13.749 22.606 41.889 1.00104.51 C ATOM 21 CD PRO 121 -12.806 20.406 41.936 1.00104.51 C ATOM 22 CB PRO 121 -14.754 21.664 41.227 1.00104.51 C ATOM 23 CG PRO 121 -13.914 20.426 40.872 1.00104.51 C ATOM 24 C PRO 121 -14.394 23.577 42.822 1.00104.51 C ATOM 25 O PRO 121 -14.971 24.546 42.336 1.00104.51 O ATOM 26 N PHE 122 -14.331 23.361 44.149 1.00 58.54 N ATOM 27 CA PHE 122 -15.096 24.240 44.986 1.00 58.54 C ATOM 28 CB PHE 122 -15.811 23.493 46.122 1.00 58.54 C ATOM 29 CG PHE 122 -16.586 22.410 45.458 1.00 58.54 C ATOM 30 CD1 PHE 122 -17.770 22.676 44.808 1.00 58.54 C ATOM 31 CD2 PHE 122 -16.110 21.120 45.486 1.00 58.54 C ATOM 32 CE1 PHE 122 -18.471 21.663 44.198 1.00 58.54 C ATOM 33 CE2 PHE 122 -16.806 20.104 44.879 1.00 58.54 C ATOM 34 CZ PHE 122 -17.987 20.376 44.231 1.00 58.54 C ATOM 35 C PHE 122 -14.177 25.240 45.605 1.00 58.54 C ATOM 36 O PHE 122 -13.199 24.876 46.254 1.00 58.54 O ATOM 37 N ILE 123 -14.491 26.542 45.435 1.00 82.27 N ATOM 38 CA ILE 123 -13.642 27.572 45.963 1.00 82.27 C ATOM 39 CB ILE 123 -13.149 28.533 44.922 1.00 82.27 C ATOM 40 CG1 ILE 123 -12.154 29.524 45.549 1.00 82.27 C ATOM 41 CG2 ILE 123 -14.374 29.189 44.264 1.00 82.27 C ATOM 42 CD1 ILE 123 -11.380 30.354 44.528 1.00 82.27 C ATOM 43 C ILE 123 -14.409 28.376 46.967 1.00 82.27 C ATOM 44 O ILE 123 -15.582 28.689 46.771 1.00 82.27 O ATOM 45 N CYS 124 -13.752 28.699 48.100 1.00 42.69 N ATOM 46 CA CYS 124 -14.352 29.506 49.128 1.00 42.69 C ATOM 47 CB CYS 124 -13.611 29.408 50.478 1.00 42.69 C ATOM 48 SG CYS 124 -14.352 30.423 51.793 1.00 42.69 S ATOM 49 C CYS 124 -14.313 30.930 48.670 1.00 42.69 C ATOM 50 O CYS 124 -13.275 31.423 48.226 1.00 42.69 O ATOM 51 N THR 125 -15.449 31.644 48.774 1.00101.36 N ATOM 52 CA THR 125 -15.496 32.998 48.305 1.00101.36 C ATOM 53 CB THR 125 -16.872 33.600 48.344 1.00101.36 C ATOM 54 OG1 THR 125 -16.863 34.880 47.729 1.00101.36 O ATOM 55 CG2 THR 125 -17.338 33.716 49.806 1.00101.36 C ATOM 56 C THR 125 -14.597 33.866 49.123 1.00101.36 C ATOM 57 O THR 125 -13.929 34.751 48.589 1.00101.36 O ATOM 58 N HIS 126 -14.586 33.667 50.453 1.00 91.70 N ATOM 59 CA HIS 126 -13.798 34.537 51.276 1.00 91.70 C ATOM 60 ND1 HIS 126 -13.170 36.432 53.860 1.00 91.70 N ATOM 61 CG HIS 126 -13.155 35.066 53.680 1.00 91.70 C ATOM 62 CB HIS 126 -14.070 34.304 52.770 1.00 91.70 C ATOM 63 NE2 HIS 126 -11.560 35.633 55.171 1.00 91.70 N ATOM 64 CD2 HIS 126 -12.166 34.594 54.488 1.00 91.70 C ATOM 65 CE1 HIS 126 -12.195 36.716 54.761 1.00 91.70 C ATOM 66 C HIS 126 -12.319 34.403 51.056 1.00 91.70 C ATOM 67 O HIS 126 -11.677 35.335 50.571 1.00 91.70 O ATOM 68 N CYS 127 -11.746 33.236 51.424 1.00 59.39 N ATOM 69 CA CYS 127 -10.324 33.011 51.363 1.00 59.39 C ATOM 70 CB CYS 127 -9.858 31.865 52.277 1.00 59.39 C ATOM 71 SG CYS 127 -10.634 30.276 51.875 1.00 59.39 S ATOM 72 C CYS 127 -9.827 32.753 49.972 1.00 59.39 C ATOM 73 O CYS 127 -8.754 33.220 49.598 1.00 59.39 O ATOM 74 N GLY 128 -10.595 32.005 49.157 1.00 26.41 N ATOM 75 CA GLY 128 -10.132 31.688 47.835 1.00 26.41 C ATOM 76 C GLY 128 -9.526 30.313 47.848 1.00 26.41 C ATOM 77 O GLY 128 -8.988 29.857 46.840 1.00 26.41 O ATOM 78 N LYS 129 -9.595 29.614 48.999 1.00 83.92 N ATOM 79 CA LYS 129 -9.058 28.283 49.110 1.00 83.92 C ATOM 80 CB LYS 129 -9.005 27.796 50.569 1.00 83.92 C ATOM 81 CG LYS 129 -8.326 26.441 50.763 1.00 83.92 C ATOM 82 CD LYS 129 -7.999 26.146 52.229 1.00 83.92 C ATOM 83 CE LYS 129 -6.952 27.097 52.809 1.00 83.92 C ATOM 84 NZ LYS 129 -6.737 26.814 54.246 1.00 83.92 N ATOM 85 C LYS 129 -9.950 27.351 48.338 1.00 83.92 C ATOM 86 O LYS 129 -11.169 27.519 48.333 1.00 83.92 O ATOM 87 N SER 130 -9.361 26.333 47.666 1.00 51.40 N ATOM 88 CA SER 130 -10.148 25.436 46.860 1.00 51.40 C ATOM 89 CB SER 130 -9.631 25.286 45.417 1.00 51.40 C ATOM 90 OG SER 130 -9.770 26.515 44.718 1.00 51.40 O ATOM 91 C SER 130 -10.137 24.075 47.487 1.00 51.40 C ATOM 92 O SER 130 -9.163 23.681 48.125 1.00 51.40 O ATOM 93 N PHE 131 -11.245 23.319 47.307 1.00146.67 N ATOM 94 CA PHE 131 -11.369 22.028 47.923 1.00146.67 C ATOM 95 CB PHE 131 -12.417 22.008 49.052 1.00146.67 C ATOM 96 CG PHE 131 -11.936 22.874 50.170 1.00146.67 C ATOM 97 CD1 PHE 131 -12.205 24.225 50.181 1.00146.67 C ATOM 98 CD2 PHE 131 -11.209 22.337 51.208 1.00146.67 C ATOM 99 CE1 PHE 131 -11.763 25.025 51.210 1.00146.67 C ATOM 100 CE2 PHE 131 -10.765 23.132 52.240 1.00146.67 C ATOM 101 CZ PHE 131 -11.040 24.479 52.244 1.00146.67 C ATOM 102 C PHE 131 -11.815 21.021 46.908 1.00146.67 C ATOM 103 O PHE 131 -12.508 21.333 45.941 1.00146.67 O ATOM 104 N SER 132 -11.384 19.764 47.119 1.00 78.21 N ATOM 105 CA SER 132 -11.732 18.669 46.267 1.00 78.21 C ATOM 106 CB SER 132 -10.937 17.393 46.588 1.00 78.21 C ATOM 107 OG SER 132 -9.550 17.620 46.393 1.00 78.21 O ATOM 108 C SER 132 -13.176 18.336 46.464 1.00 78.21 C ATOM 109 O SER 132 -13.839 17.864 45.542 1.00 78.21 O ATOM 110 N HIS 133 -13.715 18.565 47.677 1.00 51.68 N ATOM 111 CA HIS 133 -15.065 18.127 47.874 1.00 51.68 C ATOM 112 ND1 HIS 133 -15.203 14.677 47.463 1.00 51.68 N ATOM 113 CG HIS 133 -14.496 15.700 48.054 1.00 51.68 C ATOM 114 CB HIS 133 -15.134 16.869 48.754 1.00 51.68 C ATOM 115 NE2 HIS 133 -13.052 14.257 47.086 1.00 51.68 N ATOM 116 CD2 HIS 133 -13.182 15.426 47.816 1.00 51.68 C ATOM 117 CE1 HIS 133 -14.292 13.843 46.900 1.00 51.68 C ATOM 118 C HIS 133 -15.900 19.219 48.471 1.00 51.68 C ATOM 119 O HIS 133 -15.421 20.055 49.234 1.00 51.68 O ATOM 120 N SER 134 -17.202 19.215 48.116 1.00 72.02 N ATOM 121 CA SER 134 -18.159 20.211 48.511 1.00 72.02 C ATOM 122 CB SER 134 -19.555 19.935 47.931 1.00 72.02 C ATOM 123 OG SER 134 -20.042 18.696 48.426 1.00 72.02 O ATOM 124 C SER 134 -18.315 20.230 49.997 1.00 72.02 C ATOM 125 O SER 134 -18.361 21.298 50.607 1.00 72.02 O ATOM 126 N SER 135 -18.400 19.043 50.623 1.00 63.22 N ATOM 127 CA SER 135 -18.631 18.971 52.038 1.00 63.22 C ATOM 128 CB SER 135 -18.768 17.529 52.549 1.00 63.22 C ATOM 129 OG SER 135 -19.910 16.917 51.968 1.00 63.22 O ATOM 130 C SER 135 -17.477 19.589 52.758 1.00 63.22 C ATOM 131 O SER 135 -17.655 20.243 53.783 1.00 63.22 O ATOM 132 N SER 136 -16.253 19.396 52.236 1.00 29.20 N ATOM 133 CA SER 136 -15.093 19.925 52.889 1.00 29.20 C ATOM 134 CB SER 136 -13.785 19.578 52.156 1.00 29.20 C ATOM 135 OG SER 136 -13.602 18.171 52.108 1.00 29.20 O ATOM 136 C SER 136 -15.192 21.418 52.898 1.00 29.20 C ATOM 137 O SER 136 -14.946 22.058 53.918 1.00 29.20 O ATOM 138 N LEU 137 -15.569 22.017 51.752 1.00 59.96 N ATOM 139 CA LEU 137 -15.619 23.448 51.681 1.00 59.96 C ATOM 140 CB LEU 137 -15.882 23.997 50.268 1.00 59.96 C ATOM 141 CG LEU 137 -15.922 25.538 50.240 1.00 59.96 C ATOM 142 CD1 LEU 137 -14.586 26.143 50.699 1.00 59.96 C ATOM 143 CD2 LEU 137 -16.357 26.075 48.871 1.00 59.96 C ATOM 144 C LEU 137 -16.689 23.963 52.597 1.00 59.96 C ATOM 145 O LEU 137 -16.504 24.983 53.261 1.00 59.96 O ATOM 146 N ASN 138 -17.834 23.260 52.671 1.00 64.02 N ATOM 147 CA ASN 138 -18.931 23.715 53.476 1.00 64.02 C ATOM 148 CB ASN 138 -20.133 22.751 53.429 1.00 64.02 C ATOM 149 CG ASN 138 -21.286 23.377 54.199 1.00 64.02 C ATOM 150 OD1 ASN 138 -21.209 23.559 55.413 1.00 64.02 O ATOM 151 ND2 ASN 138 -22.382 23.728 53.473 1.00 64.02 N ATOM 152 C ASN 138 -18.462 23.810 54.889 1.00 64.02 C ATOM 153 O ASN 138 -18.754 24.781 55.586 1.00 64.02 O ATOM 154 N GLN 139 -17.699 22.805 55.348 1.00 98.95 N ATOM 155 CA GLN 139 -17.228 22.820 56.700 1.00 98.95 C ATOM 156 CB GLN 139 -16.388 21.574 57.024 1.00 98.95 C ATOM 157 CG GLN 139 -17.185 20.269 56.972 1.00 98.95 C ATOM 158 CD GLN 139 -17.877 20.087 58.316 1.00 98.95 C ATOM 159 OE1 GLN 139 -17.817 20.958 59.182 1.00 98.95 O ATOM 160 NE2 GLN 139 -18.545 18.917 58.503 1.00 98.95 N ATOM 161 C GLN 139 -16.341 24.014 56.866 1.00 98.95 C ATOM 162 O GLN 139 -16.445 24.743 57.852 1.00 98.95 O ATOM 163 N HIS 140 -15.458 24.250 55.876 1.00 51.32 N ATOM 164 CA HIS 140 -14.498 25.315 55.929 1.00 51.32 C ATOM 165 ND1 HIS 140 -11.450 26.496 55.486 1.00 51.32 N ATOM 166 CG HIS 140 -12.609 26.485 54.742 1.00 51.32 C ATOM 167 CB HIS 140 -13.576 25.342 54.701 1.00 51.32 C ATOM 168 NE2 HIS 140 -11.556 28.458 54.446 1.00 51.32 N ATOM 169 CD2 HIS 140 -12.657 27.690 54.113 1.00 51.32 C ATOM 170 CE1 HIS 140 -10.860 27.699 55.272 1.00 51.32 C ATOM 171 C HIS 140 -15.172 26.646 55.973 1.00 51.32 C ATOM 172 O HIS 140 -14.858 27.472 56.829 1.00 51.32 O ATOM 173 N MET 141 -16.133 26.891 55.065 1.00 92.27 N ATOM 174 CA MET 141 -16.718 28.197 55.027 1.00 92.27 C ATOM 175 CB MET 141 -17.482 28.488 53.719 1.00 92.27 C ATOM 176 CG MET 141 -17.809 29.973 53.539 1.00 92.27 C ATOM 177 SD MET 141 -18.382 30.430 51.876 1.00 92.27 S ATOM 178 CE MET 141 -20.035 29.697 52.043 1.00 92.27 C ATOM 179 C MET 141 -17.663 28.348 56.203 1.00 92.27 C ATOM 180 O MET 141 -17.160 28.453 57.354 1.00 92.27 O ATOM 181 OXT MET 141 -18.899 28.370 55.968 1.00 92.27 O