EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:26 REMARK 6 MODELLER OBJECTIVE FUNCTION: 91.6251 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 66.667 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1128.52075 REMARK 6 GA341 score: 0.98942 REMARK 6 Normalized DOPE score: -0.52448 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 66.7% ATOM 1 N GLU 88 -12.187 21.940 41.624 1.00 27.08 N ATOM 2 CA GLU 88 -13.416 22.377 42.320 1.00 27.08 C ATOM 3 CB GLU 88 -14.511 21.309 42.170 1.00 27.08 C ATOM 4 CG GLU 88 -15.866 21.728 42.737 1.00 27.08 C ATOM 5 CD GLU 88 -16.876 20.661 42.345 1.00 27.08 C ATOM 6 OE1 GLU 88 -16.477 19.691 41.645 1.00 27.08 O ATOM 7 OE2 GLU 88 -18.065 20.806 42.735 1.00 27.08 O ATOM 8 C GLU 88 -13.139 22.596 43.769 1.00 27.08 C ATOM 9 O GLU 88 -12.229 21.994 44.339 1.00 27.08 O ATOM 10 N LYS 89 -13.912 23.494 44.403 1.00 86.62 N ATOM 11 CA LYS 89 -13.676 23.760 45.790 1.00 86.62 C ATOM 12 CB LYS 89 -13.426 25.254 46.034 1.00 86.62 C ATOM 13 CG LYS 89 -12.287 25.768 45.152 1.00 86.62 C ATOM 14 CD LYS 89 -12.227 27.290 45.030 1.00 86.62 C ATOM 15 CE LYS 89 -11.380 27.759 43.846 1.00 86.62 C ATOM 16 NZ LYS 89 -10.032 27.155 43.922 1.00 86.62 N ATOM 17 C LYS 89 -14.919 23.352 46.511 1.00 86.62 C ATOM 18 O LYS 89 -15.871 24.118 46.653 1.00 86.62 O ATOM 19 N PRO 90 -14.909 22.128 46.952 1.00114.93 N ATOM 20 CA PRO 90 -16.040 21.548 47.624 1.00114.93 C ATOM 21 CD PRO 90 -14.087 21.118 46.309 1.00114.93 C ATOM 22 CB PRO 90 -15.845 20.029 47.555 1.00114.93 C ATOM 23 CG PRO 90 -14.389 19.836 47.097 1.00114.93 C ATOM 24 C PRO 90 -16.315 22.043 49.008 1.00114.93 C ATOM 25 O PRO 90 -17.418 21.810 49.498 1.00114.93 O ATOM 26 N TYR 91 -15.367 22.723 49.676 1.00 56.24 N ATOM 27 CA TYR 91 -15.664 23.055 51.039 1.00 56.24 C ATOM 28 CB TYR 91 -14.514 22.708 51.996 1.00 56.24 C ATOM 29 CG TYR 91 -14.316 21.234 51.879 1.00 56.24 C ATOM 30 CD1 TYR 91 -15.142 20.360 52.549 1.00 56.24 C ATOM 31 CD2 TYR 91 -13.307 20.725 51.094 1.00 56.24 C ATOM 32 CE1 TYR 91 -14.964 19.001 52.438 1.00 56.24 C ATOM 33 CE2 TYR 91 -13.124 19.366 50.979 1.00 56.24 C ATOM 34 CZ TYR 91 -13.953 18.502 51.653 1.00 56.24 C ATOM 35 OH TYR 91 -13.766 17.108 51.536 1.00 56.24 O ATOM 36 C TYR 91 -15.929 24.523 51.133 1.00 56.24 C ATOM 37 O TYR 91 -15.115 25.343 50.716 1.00 56.24 O ATOM 38 N SER 92 -17.101 24.891 51.696 1.00 32.55 N ATOM 39 CA SER 92 -17.442 26.280 51.785 1.00 32.55 C ATOM 40 CB SER 92 -18.754 26.633 51.062 1.00 32.55 C ATOM 41 OG SER 92 -18.629 26.381 49.670 1.00 32.55 O ATOM 42 C SER 92 -17.613 26.651 53.224 1.00 32.55 C ATOM 43 O SER 92 -18.151 25.887 54.023 1.00 32.55 O ATOM 44 N CYS 93 -17.124 27.853 53.590 1.00 36.48 N ATOM 45 CA CYS 93 -17.248 28.334 54.936 1.00 36.48 C ATOM 46 CB CYS 93 -16.230 29.430 55.289 1.00 36.48 C ATOM 47 SG CYS 93 -16.410 30.018 56.999 1.00 36.48 S ATOM 48 C CYS 93 -18.613 28.928 55.110 1.00 36.48 C ATOM 49 O CYS 93 -19.090 29.682 54.267 1.00 36.48 O ATOM 50 N SER 94 -19.282 28.606 56.233 1.00 82.86 N ATOM 51 CA SER 94 -20.598 29.133 56.461 1.00 82.86 C ATOM 52 CB SER 94 -21.321 28.485 57.656 1.00 82.86 C ATOM 53 OG SER 94 -21.684 27.149 57.340 1.00 82.86 O ATOM 54 C SER 94 -20.530 30.608 56.718 1.00 82.86 C ATOM 55 O SER 94 -21.453 31.345 56.369 1.00 82.86 O ATOM 56 N GLU 95 -19.453 31.082 57.372 1.00117.83 N ATOM 57 CA GLU 95 -19.426 32.477 57.710 1.00117.83 C ATOM 58 CB GLU 95 -18.191 32.834 58.554 1.00117.83 C ATOM 59 CG GLU 95 -18.204 32.225 59.957 1.00117.83 C ATOM 60 CD GLU 95 -18.986 33.155 60.876 1.00117.83 C ATOM 61 OE1 GLU 95 -18.534 34.314 61.067 1.00117.83 O ATOM 62 OE2 GLU 95 -20.046 32.717 61.399 1.00117.83 O ATOM 63 C GLU 95 -19.357 33.350 56.490 1.00117.83 C ATOM 64 O GLU 95 -20.296 34.092 56.199 1.00117.83 O ATOM 65 N CYS 96 -18.210 33.282 55.774 1.00 63.50 N ATOM 66 CA CYS 96 -17.911 34.073 54.605 1.00 63.50 C ATOM 67 CB CYS 96 -16.399 34.184 54.334 1.00 63.50 C ATOM 68 SG CYS 96 -15.603 32.570 54.085 1.00 63.50 S ATOM 69 C CYS 96 -18.567 33.565 53.355 1.00 63.50 C ATOM 70 O CYS 96 -19.046 34.350 52.540 1.00 63.50 O ATOM 71 N GLY 97 -18.609 32.232 53.158 1.00 27.37 N ATOM 72 CA GLY 97 -19.154 31.700 51.940 1.00 27.37 C ATOM 73 C GLY 97 -18.019 31.425 50.996 1.00 27.37 C ATOM 74 O GLY 97 -18.237 31.020 49.854 1.00 27.37 O ATOM 75 N LYS 98 -16.770 31.646 51.452 1.00101.10 N ATOM 76 CA LYS 98 -15.608 31.405 50.641 1.00101.10 C ATOM 77 CB LYS 98 -14.318 31.972 51.265 1.00101.10 C ATOM 78 CG LYS 98 -13.069 31.841 50.394 1.00101.10 C ATOM 79 CD LYS 98 -11.852 32.555 50.993 1.00101.10 C ATOM 80 CE LYS 98 -11.683 34.004 50.535 1.00101.10 C ATOM 81 NZ LYS 98 -11.062 34.054 49.192 1.00101.10 N ATOM 82 C LYS 98 -15.446 29.917 50.510 1.00101.10 C ATOM 83 O LYS 98 -15.737 29.166 51.438 1.00101.10 O ATOM 84 N SER 99 -14.980 29.440 49.333 1.00 92.34 N ATOM 85 CA SER 99 -14.841 28.021 49.140 1.00 92.34 C ATOM 86 CB SER 99 -15.638 27.506 47.934 1.00 92.34 C ATOM 87 OG SER 99 -15.304 28.269 46.785 1.00 92.34 O ATOM 88 C SER 99 -13.395 27.671 48.946 1.00 92.34 C ATOM 89 O SER 99 -12.618 28.463 48.417 1.00 92.34 O ATOM 90 N PHE 100 -13.003 26.452 49.385 1.00138.92 N ATOM 91 CA PHE 100 -11.620 26.063 49.319 1.00138.92 C ATOM 92 CB PHE 100 -10.940 26.008 50.700 1.00138.92 C ATOM 93 CG PHE 100 -10.866 27.403 51.223 1.00138.92 C ATOM 94 CD1 PHE 100 -11.923 27.953 51.909 1.00138.92 C ATOM 95 CD2 PHE 100 -9.740 28.167 51.016 1.00138.92 C ATOM 96 CE1 PHE 100 -11.853 29.241 52.382 1.00138.92 C ATOM 97 CE2 PHE 100 -9.662 29.456 51.489 1.00138.92 C ATOM 98 CZ PHE 100 -10.721 29.992 52.178 1.00138.92 C ATOM 99 C PHE 100 -11.495 24.696 48.725 1.00138.92 C ATOM 100 O PHE 100 -12.426 23.894 48.731 1.00138.92 O ATOM 101 N ARG 101 -10.304 24.418 48.162 1.00125.27 N ATOM 102 CA ARG 101 -9.959 23.159 47.569 1.00125.27 C ATOM 103 CB ARG 101 -8.571 23.158 46.908 1.00125.27 C ATOM 104 CG ARG 101 -8.499 23.741 45.496 1.00125.27 C ATOM 105 CD ARG 101 -8.820 22.700 44.419 1.00125.27 C ATOM 106 NE ARG 101 -8.159 23.118 43.147 1.00125.27 N ATOM 107 CZ ARG 101 -6.884 22.704 42.877 1.00125.27 C ATOM 108 NH1 ARG 101 -6.218 21.919 43.774 1.00125.27 N ATOM 109 NH2 ARG 101 -6.266 23.066 41.714 1.00125.27 N ATOM 110 C ARG 101 -9.879 22.092 48.618 1.00125.27 C ATOM 111 O ARG 101 -10.266 20.950 48.372 1.00125.27 O ATOM 112 N ARG 102 -9.362 22.425 49.818 1.00135.67 N ATOM 113 CA ARG 102 -9.142 21.374 50.774 1.00135.67 C ATOM 114 CB ARG 102 -7.644 21.117 51.011 1.00135.67 C ATOM 115 CG ARG 102 -7.320 19.924 51.910 1.00135.67 C ATOM 116 CD ARG 102 -5.857 19.492 51.779 1.00135.67 C ATOM 117 NE ARG 102 -5.074 20.716 51.447 1.00135.67 N ATOM 118 CZ ARG 102 -4.052 20.662 50.542 1.00135.67 C ATOM 119 NH1 ARG 102 -3.694 19.473 49.975 1.00135.67 N ATOM 120 NH2 ARG 102 -3.397 21.808 50.195 1.00135.67 N ATOM 121 C ARG 102 -9.785 21.700 52.087 1.00135.67 C ATOM 122 O ARG 102 -9.911 22.860 52.478 1.00135.67 O ATOM 123 N LEU 103 -10.204 20.639 52.807 1.00 71.01 N ATOM 124 CA LEU 103 -10.882 20.747 54.067 1.00 71.01 C ATOM 125 CB LEU 103 -11.272 19.378 54.649 1.00 71.01 C ATOM 126 CG LEU 103 -11.996 19.471 56.006 1.00 71.01 C ATOM 127 CD1 LEU 103 -13.357 20.173 55.860 1.00 71.01 C ATOM 128 CD2 LEU 103 -12.104 18.095 56.681 1.00 71.01 C ATOM 129 C LEU 103 -9.977 21.378 55.074 1.00 71.01 C ATOM 130 O LEU 103 -10.397 22.228 55.858 1.00 71.01 O ATOM 131 N SER 104 -8.695 20.975 55.075 1.00 22.23 N ATOM 132 CA SER 104 -7.790 21.457 56.074 1.00 22.23 C ATOM 133 CB SER 104 -6.371 20.887 55.914 1.00 22.23 C ATOM 134 OG SER 104 -5.799 21.346 54.698 1.00 22.23 O ATOM 135 C SER 104 -7.686 22.941 55.959 1.00 22.23 C ATOM 136 O SER 104 -7.700 23.650 56.964 1.00 22.23 O ATOM 137 N ASN 105 -7.592 23.453 54.719 1.00 30.88 N ATOM 138 CA ASN 105 -7.416 24.861 54.526 1.00 30.88 C ATOM 139 CB ASN 105 -7.181 25.242 53.055 1.00 30.88 C ATOM 140 CG ASN 105 -5.802 24.715 52.682 1.00 30.88 C ATOM 141 OD1 ASN 105 -5.089 24.162 53.518 1.00 30.88 O ATOM 142 ND2 ASN 105 -5.408 24.902 51.393 1.00 30.88 N ATOM 143 C ASN 105 -8.621 25.590 55.022 1.00 30.88 C ATOM 144 O ASN 105 -8.501 26.636 55.655 1.00 30.88 O ATOM 145 N LEU 106 -9.824 25.056 54.755 1.00 96.16 N ATOM 146 CA LEU 106 -11.009 25.729 55.193 1.00 96.16 C ATOM 147 CB LEU 106 -12.293 25.028 54.706 1.00 96.16 C ATOM 148 CG LEU 106 -13.620 25.716 55.099 1.00 96.16 C ATOM 149 CD1 LEU 106 -13.931 25.593 56.600 1.00 96.16 C ATOM 150 CD2 LEU 106 -13.653 27.169 54.602 1.00 96.16 C ATOM 151 C LEU 106 -10.995 25.750 56.691 1.00 96.16 C ATOM 152 O LEU 106 -11.349 26.751 57.311 1.00 96.16 O ATOM 153 N LYS 107 -10.555 24.639 57.312 1.00102.29 N ATOM 154 CA LYS 107 -10.560 24.531 58.743 1.00102.29 C ATOM 155 CB LYS 107 -9.993 23.190 59.239 1.00102.29 C ATOM 156 CG LYS 107 -10.858 21.987 58.859 1.00102.29 C ATOM 157 CD LYS 107 -12.275 22.058 59.432 1.00102.29 C ATOM 158 CE LYS 107 -12.315 21.939 60.957 1.00102.29 C ATOM 159 NZ LYS 107 -13.711 22.028 61.439 1.00102.29 N ATOM 160 C LYS 107 -9.703 25.615 59.303 1.00102.29 C ATOM 161 O LYS 107 -10.082 26.272 60.273 1.00102.29 O ATOM 162 N ALA 108 -8.522 25.841 58.697 1.00 7.16 N ATOM 163 CA ALA 108 -7.653 26.861 59.201 1.00 7.16 C ATOM 164 CB ALA 108 -6.378 27.050 58.361 1.00 7.16 C ATOM 165 C ALA 108 -8.423 28.176 59.180 1.00 7.16 C ATOM 166 O ALA 108 -8.641 28.746 60.282 1.00 7.16 O ATOM 167 OXT ALA 108 -8.800 28.630 58.065 1.00 7.16 O