EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:06:47 REMARK 6 MODELLER OBJECTIVE FUNCTION: 91.4921 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.381 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1052.22070 REMARK 6 GA341 score: 0.73771 REMARK 6 Normalized DOPE score: -0.30050 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 52.4% ATOM 1 N GLU 147 -25.686 36.076 58.697 1.00 43.49 N ATOM 2 CA GLU 147 -24.876 35.188 57.836 1.00 43.49 C ATOM 3 CB GLU 147 -24.807 35.776 56.416 1.00 43.49 C ATOM 4 CG GLU 147 -24.353 34.773 55.357 1.00 43.49 C ATOM 5 CD GLU 147 -24.711 35.355 53.999 1.00 43.49 C ATOM 6 OE1 GLU 147 -25.913 35.671 53.794 1.00 43.49 O ATOM 7 OE2 GLU 147 -23.790 35.502 53.153 1.00 43.49 O ATOM 8 C GLU 147 -23.508 35.059 58.418 1.00 43.49 C ATOM 9 O GLU 147 -23.339 34.482 59.491 1.00 43.49 O ATOM 10 N LYS 148 -22.479 35.577 57.720 1.00 97.02 N ATOM 11 CA LYS 148 -21.165 35.509 58.287 1.00 97.02 C ATOM 12 CB LYS 148 -20.155 34.826 57.349 1.00 97.02 C ATOM 13 CG LYS 148 -20.526 33.369 57.054 1.00 97.02 C ATOM 14 CD LYS 148 -19.747 32.744 55.893 1.00 97.02 C ATOM 15 CE LYS 148 -20.216 33.180 54.501 1.00 97.02 C ATOM 16 NZ LYS 148 -21.473 32.485 54.144 1.00 97.02 N ATOM 17 C LYS 148 -20.719 36.923 58.505 1.00 97.02 C ATOM 18 O LYS 148 -20.133 37.549 57.624 1.00 97.02 O ATOM 19 N PRO 149 -21.011 37.440 59.671 1.00117.59 N ATOM 20 CA PRO 149 -20.664 38.803 59.987 1.00117.59 C ATOM 21 CD PRO 149 -22.247 37.045 60.330 1.00117.59 C ATOM 22 CB PRO 149 -21.548 39.207 61.163 1.00117.59 C ATOM 23 CG PRO 149 -22.784 38.307 61.021 1.00117.59 C ATOM 24 C PRO 149 -19.222 39.120 60.240 1.00117.59 C ATOM 25 O PRO 149 -18.880 40.300 60.179 1.00117.59 O ATOM 26 N PHE 150 -18.359 38.135 60.549 1.00 59.20 N ATOM 27 CA PHE 150 -17.008 38.503 60.879 1.00 59.20 C ATOM 28 CB PHE 150 -16.400 37.673 62.022 1.00 59.20 C ATOM 29 CG PHE 150 -17.081 38.099 63.273 1.00 59.20 C ATOM 30 CD1 PHE 150 -16.707 39.268 63.894 1.00 59.20 C ATOM 31 CD2 PHE 150 -18.081 37.337 63.832 1.00 59.20 C ATOM 32 CE1 PHE 150 -17.327 39.675 65.051 1.00 59.20 C ATOM 33 CE2 PHE 150 -18.705 37.741 64.990 1.00 59.20 C ATOM 34 CZ PHE 150 -18.327 38.911 65.602 1.00 59.20 C ATOM 35 C PHE 150 -16.132 38.321 59.684 1.00 59.20 C ATOM 36 O PHE 150 -16.127 37.262 59.062 1.00 59.20 O ATOM 37 N THR 151 -15.344 39.361 59.343 1.00 98.94 N ATOM 38 CA THR 151 -14.499 39.251 58.190 1.00 98.94 C ATOM 39 CB THR 151 -14.742 40.312 57.161 1.00 98.94 C ATOM 40 OG1 THR 151 -13.986 40.040 55.989 1.00 98.94 O ATOM 41 CG2 THR 151 -14.336 41.671 57.753 1.00 98.94 C ATOM 42 C THR 151 -13.069 39.378 58.603 1.00 98.94 C ATOM 43 O THR 151 -12.724 40.160 59.490 1.00 98.94 O ATOM 44 N CYS 152 -12.198 38.581 57.951 1.00 42.28 N ATOM 45 CA CYS 152 -10.784 38.607 58.201 1.00 42.28 C ATOM 46 CB CYS 152 -10.040 37.387 57.629 1.00 42.28 C ATOM 47 SG CYS 152 -8.251 37.448 57.948 1.00 42.28 S ATOM 48 C CYS 152 -10.213 39.820 57.547 1.00 42.28 C ATOM 49 O CYS 152 -10.509 40.124 56.391 1.00 42.28 O ATOM 50 N THR 153 -9.350 40.545 58.276 1.00108.46 N ATOM 51 CA THR 153 -8.795 41.751 57.744 1.00108.46 C ATOM 52 CB THR 153 -7.983 42.501 58.761 1.00108.46 C ATOM 53 OG1 THR 153 -7.558 43.740 58.213 1.00108.46 O ATOM 54 CG2 THR 153 -6.774 41.658 59.204 1.00108.46 C ATOM 55 C THR 153 -7.926 41.458 56.558 1.00108.46 C ATOM 56 O THR 153 -8.020 42.142 55.540 1.00108.46 O ATOM 57 N GLN 154 -7.027 40.458 56.670 1.00105.57 N ATOM 58 CA GLN 154 -6.104 40.171 55.606 1.00105.57 C ATOM 59 CB GLN 154 -5.010 39.196 56.067 1.00105.57 C ATOM 60 CG GLN 154 -4.144 38.643 54.936 1.00105.57 C ATOM 61 CD GLN 154 -3.258 39.753 54.396 1.00105.57 C ATOM 62 OE1 GLN 154 -3.235 40.866 54.919 1.00105.57 O ATOM 63 NE2 GLN 154 -2.495 39.440 53.316 1.00105.57 N ATOM 64 C GLN 154 -6.741 39.541 54.406 1.00105.57 C ATOM 65 O GLN 154 -6.657 40.070 53.297 1.00105.57 O ATOM 66 N CYS 155 -7.385 38.377 54.626 1.00 91.31 N ATOM 67 CA CYS 155 -7.959 37.562 53.590 1.00 91.31 C ATOM 68 CB CYS 155 -8.319 36.160 54.097 1.00 91.31 C ATOM 69 SG CYS 155 -9.172 35.180 52.831 1.00 91.31 S ATOM 70 C CYS 155 -9.206 38.154 53.027 1.00 91.31 C ATOM 71 O CYS 155 -9.394 38.179 51.812 1.00 91.31 O ATOM 72 N GLY 156 -10.095 38.655 53.905 1.00 24.49 N ATOM 73 CA GLY 156 -11.363 39.154 53.459 1.00 24.49 C ATOM 74 C GLY 156 -12.381 38.051 53.570 1.00 24.49 C ATOM 75 O GLY 156 -13.539 38.232 53.195 1.00 24.49 O ATOM 76 N LYS 157 -11.983 36.870 54.090 1.00 55.84 N ATOM 77 CA LYS 157 -12.898 35.765 54.225 1.00 55.84 C ATOM 78 CB LYS 157 -12.179 34.416 54.425 1.00 55.84 C ATOM 79 CG LYS 157 -13.095 33.194 54.327 1.00 55.84 C ATOM 80 CD LYS 157 -12.336 31.873 54.160 1.00 55.84 C ATOM 81 CE LYS 157 -13.219 30.625 54.253 1.00 55.84 C ATOM 82 NZ LYS 157 -12.396 29.411 54.052 1.00 55.84 N ATOM 83 C LYS 157 -13.781 36.030 55.410 1.00 55.84 C ATOM 84 O LYS 157 -13.352 36.652 56.382 1.00 55.84 O ATOM 85 N SER 158 -15.051 35.565 55.358 1.00 52.47 N ATOM 86 CA SER 158 -15.975 35.848 56.428 1.00 52.47 C ATOM 87 CB SER 158 -17.286 36.504 55.956 1.00 52.47 C ATOM 88 OG SER 158 -17.030 37.800 55.432 1.00 52.47 O ATOM 89 C SER 158 -16.339 34.576 57.136 1.00 52.47 C ATOM 90 O SER 158 -16.332 33.497 56.548 1.00 52.47 O ATOM 91 N PHE 159 -16.674 34.690 58.446 1.00139.22 N ATOM 92 CA PHE 159 -16.969 33.549 59.275 1.00139.22 C ATOM 93 CB PHE 159 -15.845 33.242 60.288 1.00139.22 C ATOM 94 CG PHE 159 -14.618 32.846 59.538 1.00139.22 C ATOM 95 CD1 PHE 159 -13.736 33.799 59.075 1.00139.22 C ATOM 96 CD2 PHE 159 -14.357 31.519 59.289 1.00139.22 C ATOM 97 CE1 PHE 159 -12.606 33.439 58.378 1.00139.22 C ATOM 98 CE2 PHE 159 -13.230 31.153 58.593 1.00139.22 C ATOM 99 CZ PHE 159 -12.354 32.110 58.138 1.00139.22 C ATOM 100 C PHE 159 -18.203 33.814 60.094 1.00139.22 C ATOM 101 O PHE 159 -18.564 34.957 60.369 1.00139.22 O ATOM 102 N ARG 160 -18.892 32.725 60.492 1.00138.89 N ATOM 103 CA ARG 160 -20.087 32.765 61.290 1.00138.89 C ATOM 104 CB ARG 160 -20.746 31.384 61.424 1.00138.89 C ATOM 105 CG ARG 160 -19.864 30.356 62.132 1.00138.89 C ATOM 106 CD ARG 160 -20.367 28.924 61.967 1.00138.89 C ATOM 107 NE ARG 160 -20.099 28.539 60.553 1.00138.89 N ATOM 108 CZ ARG 160 -20.451 27.305 60.098 1.00138.89 C ATOM 109 NH1 ARG 160 -21.064 26.407 60.928 1.00138.89 N ATOM 110 NH2 ARG 160 -20.196 26.959 58.803 1.00138.89 N ATOM 111 C ARG 160 -19.772 33.237 62.681 1.00138.89 C ATOM 112 O ARG 160 -20.563 33.960 63.288 1.00138.89 O ATOM 113 N GLN 161 -18.616 32.822 63.242 1.00 47.57 N ATOM 114 CA GLN 161 -18.331 33.190 64.601 1.00 47.57 C ATOM 115 CB GLN 161 -18.337 32.020 65.600 1.00 47.57 C ATOM 116 CG GLN 161 -19.724 31.456 65.908 1.00 47.57 C ATOM 117 CD GLN 161 -19.583 30.543 67.118 1.00 47.57 C ATOM 118 OE1 GLN 161 -18.510 30.440 67.711 1.00 47.57 O ATOM 119 NE2 GLN 161 -20.698 29.862 67.494 1.00 47.57 N ATOM 120 C GLN 161 -16.981 33.816 64.712 1.00 47.57 C ATOM 121 O GLN 161 -16.090 33.595 63.893 1.00 47.57 O ATOM 122 N SER 162 -16.827 34.626 65.777 1.00 75.39 N ATOM 123 CA SER 162 -15.636 35.360 66.091 1.00 75.39 C ATOM 124 CB SER 162 -15.802 36.215 67.359 1.00 75.39 C ATOM 125 OG SER 162 -16.023 35.375 68.484 1.00 75.39 O ATOM 126 C SER 162 -14.507 34.412 66.358 1.00 75.39 C ATOM 127 O SER 162 -13.411 34.571 65.824 1.00 75.39 O ATOM 128 N SER 163 -14.740 33.375 67.184 1.00 69.74 N ATOM 129 CA SER 163 -13.653 32.501 67.532 1.00 69.74 C ATOM 130 CB SER 163 -14.026 31.434 68.575 1.00 69.74 C ATOM 131 OG SER 163 -14.195 32.038 69.849 1.00 69.74 O ATOM 132 C SER 163 -13.155 31.799 66.312 1.00 69.74 C ATOM 133 O SER 163 -11.954 31.557 66.173 1.00 69.74 O ATOM 134 N SER 164 -14.066 31.460 65.385 1.00 63.04 N ATOM 135 CA SER 164 -13.673 30.765 64.196 1.00 63.04 C ATOM 136 CB SER 164 -14.871 30.492 63.261 1.00 63.04 C ATOM 137 OG SER 164 -14.450 29.818 62.083 1.00 63.04 O ATOM 138 C SER 164 -12.715 31.651 63.467 1.00 63.04 C ATOM 139 O SER 164 -11.661 31.211 63.010 1.00 63.04 O ATOM 140 N LEU 165 -13.056 32.949 63.376 1.00102.91 N ATOM 141 CA LEU 165 -12.240 33.883 62.662 1.00102.91 C ATOM 142 CB LEU 165 -12.880 35.287 62.646 1.00102.91 C ATOM 143 CG LEU 165 -12.244 36.332 61.695 1.00102.91 C ATOM 144 CD1 LEU 165 -12.983 37.675 61.797 1.00102.91 C ATOM 145 CD2 LEU 165 -10.729 36.507 61.879 1.00102.91 C ATOM 146 C LEU 165 -10.913 33.971 63.348 1.00102.91 C ATOM 147 O LEU 165 -9.871 33.897 62.699 1.00102.91 O ATOM 148 N ASN 166 -10.913 34.095 64.690 1.00 59.53 N ATOM 149 CA ASN 166 -9.677 34.281 65.392 1.00 59.53 C ATOM 150 CB ASN 166 -9.881 34.445 66.910 1.00 59.53 C ATOM 151 CG ASN 166 -8.650 35.150 67.467 1.00 59.53 C ATOM 152 OD1 ASN 166 -7.602 35.193 66.827 1.00 59.53 O ATOM 153 ND2 ASN 166 -8.781 35.745 68.683 1.00 59.53 N ATOM 154 C ASN 166 -8.826 33.073 65.144 1.00 59.53 C ATOM 155 O ASN 166 -7.645 33.177 64.820 1.00 59.53 O ATOM 156 N TYR 167 -9.434 31.881 65.263 1.00 87.04 N ATOM 157 CA TYR 167 -8.739 30.649 65.035 1.00 87.04 C ATOM 158 CB TYR 167 -9.473 29.464 65.704 1.00 87.04 C ATOM 159 CG TYR 167 -8.800 28.164 65.414 1.00 87.04 C ATOM 160 CD1 TYR 167 -7.561 27.864 65.936 1.00 87.04 C ATOM 161 CD2 TYR 167 -9.434 27.224 64.632 1.00 87.04 C ATOM 162 CE1 TYR 167 -6.961 26.655 65.667 1.00 87.04 C ATOM 163 CE2 TYR 167 -8.841 26.018 64.359 1.00 87.04 C ATOM 164 CZ TYR 167 -7.600 25.731 64.874 1.00 87.04 C ATOM 165 OH TYR 167 -6.994 24.489 64.595 1.00 87.04 O ATOM 166 C TYR 167 -8.670 30.446 63.518 1.00 87.04 C ATOM 167 O TYR 167 -9.175 29.412 63.008 1.00 87.04 O ATOM 168 OXT TYR 167 -8.093 31.340 62.842 1.00 87.04 O