EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:13 REMARK 6 MODELLER OBJECTIVE FUNCTION: 92.7064 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1280.55664 REMARK 6 GA341 score: 0.99617 REMARK 6 Normalized DOPE score: -0.32508 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 91 -16.994 37.174 35.380 1.00 51.43 N ATOM 2 CA GLU 91 -17.602 36.673 36.631 1.00 51.43 C ATOM 3 CB GLU 91 -18.663 35.608 36.312 1.00 51.43 C ATOM 4 CG GLU 91 -18.111 34.404 35.547 1.00 51.43 C ATOM 5 CD GLU 91 -19.266 33.452 35.272 1.00 51.43 C ATOM 6 OE1 GLU 91 -20.363 33.680 35.850 1.00 51.43 O ATOM 7 OE2 GLU 91 -19.069 32.493 34.479 1.00 51.43 O ATOM 8 C GLU 91 -16.551 36.084 37.508 1.00 51.43 C ATOM 9 O GLU 91 -15.372 36.414 37.385 1.00 51.43 O ATOM 10 N LYS 92 -16.954 35.206 38.442 1.00 48.61 N ATOM 11 CA LYS 92 -15.973 34.626 39.310 1.00 48.61 C ATOM 12 CB LYS 92 -16.318 34.844 40.791 1.00 48.61 C ATOM 13 CG LYS 92 -16.445 36.329 41.150 1.00 48.61 C ATOM 14 CD LYS 92 -17.175 36.593 42.467 1.00 48.61 C ATOM 15 CE LYS 92 -17.285 38.079 42.813 1.00 48.61 C ATOM 16 NZ LYS 92 -17.855 38.232 44.170 1.00 48.61 N ATOM 17 C LYS 92 -15.959 33.158 39.039 1.00 48.61 C ATOM 18 O LYS 92 -16.864 32.428 39.441 1.00 48.61 O ATOM 19 N PRO 93 -14.949 32.732 38.334 1.00114.62 N ATOM 20 CA PRO 93 -14.802 31.345 37.977 1.00114.62 C ATOM 21 CD PRO 93 -14.316 33.606 37.360 1.00114.62 C ATOM 22 CB PRO 93 -13.829 31.310 36.791 1.00114.62 C ATOM 23 CG PRO 93 -13.233 32.728 36.719 1.00114.62 C ATOM 24 C PRO 93 -14.425 30.398 39.075 1.00114.62 C ATOM 25 O PRO 93 -14.645 29.199 38.903 1.00114.62 O ATOM 26 N PHE 94 -13.853 30.870 40.198 1.00 61.28 N ATOM 27 CA PHE 94 -13.399 29.900 41.154 1.00 61.28 C ATOM 28 CB PHE 94 -12.009 30.229 41.725 1.00 61.28 C ATOM 29 CG PHE 94 -11.075 30.165 40.562 1.00 61.28 C ATOM 30 CD1 PHE 94 -10.705 28.952 40.032 1.00 61.28 C ATOM 31 CD2 PHE 94 -10.567 31.314 40.001 1.00 61.28 C ATOM 32 CE1 PHE 94 -9.849 28.890 38.957 1.00 61.28 C ATOM 33 CE2 PHE 94 -9.710 31.259 38.927 1.00 61.28 C ATOM 34 CZ PHE 94 -9.348 30.042 38.402 1.00 61.28 C ATOM 35 C PHE 94 -14.386 29.799 42.271 1.00 61.28 C ATOM 36 O PHE 94 -14.720 30.792 42.913 1.00 61.28 O ATOM 37 N THR 95 -14.856 28.564 42.546 1.00106.86 N ATOM 38 CA THR 95 -15.874 28.351 43.536 1.00106.86 C ATOM 39 CB THR 95 -17.016 27.521 43.028 1.00106.86 C ATOM 40 OG1 THR 95 -16.560 26.214 42.708 1.00106.86 O ATOM 41 CG2 THR 95 -17.604 28.189 41.774 1.00106.86 C ATOM 42 C THR 95 -15.307 27.584 44.689 1.00106.86 C ATOM 43 O THR 95 -14.493 26.678 44.517 1.00106.86 O ATOM 44 N CYS 96 -15.734 27.953 45.914 1.00 43.26 N ATOM 45 CA CYS 96 -15.300 27.275 47.101 1.00 43.26 C ATOM 46 CB CYS 96 -15.447 28.132 48.372 1.00 43.26 C ATOM 47 SG CYS 96 -14.887 27.287 49.882 1.00 43.26 S ATOM 48 C CYS 96 -16.132 26.046 47.264 1.00 43.26 C ATOM 49 O CYS 96 -17.358 26.081 47.163 1.00 43.26 O ATOM 50 N THR 97 -15.464 24.916 47.539 1.00 45.02 N ATOM 51 CA THR 97 -16.153 23.667 47.647 1.00 45.02 C ATOM 52 CB THR 97 -15.212 22.542 47.942 1.00 45.02 C ATOM 53 OG1 THR 97 -14.224 22.444 46.928 1.00 45.02 O ATOM 54 CG2 THR 97 -16.019 21.240 48.046 1.00 45.02 C ATOM 55 C THR 97 -17.117 23.710 48.787 1.00 45.02 C ATOM 56 O THR 97 -18.277 23.321 48.647 1.00 45.02 O ATOM 57 N GLN 98 -16.647 24.151 49.969 1.00122.59 N ATOM 58 CA GLN 98 -17.513 24.079 51.109 1.00122.59 C ATOM 59 CB GLN 98 -16.730 24.178 52.429 1.00122.59 C ATOM 60 CG GLN 98 -15.811 22.970 52.638 1.00122.59 C ATOM 61 CD GLN 98 -14.989 23.178 53.898 1.00122.59 C ATOM 62 OE1 GLN 98 -13.887 22.647 54.027 1.00122.59 O ATOM 63 NE2 GLN 98 -15.526 23.981 54.854 1.00122.59 N ATOM 64 C GLN 98 -18.628 25.092 51.124 1.00122.59 C ATOM 65 O GLN 98 -19.798 24.719 51.216 1.00122.59 O ATOM 66 N CYS 99 -18.294 26.399 51.053 1.00 63.22 N ATOM 67 CA CYS 99 -19.274 27.453 51.160 1.00 63.22 C ATOM 68 CB CYS 99 -18.662 28.798 51.582 1.00 63.22 C ATOM 69 SG CYS 99 -17.393 29.401 50.429 1.00 63.22 S ATOM 70 C CYS 99 -20.069 27.665 49.902 1.00 63.22 C ATOM 71 O CYS 99 -21.272 27.916 49.960 1.00 63.22 O ATOM 72 N GLY 100 -19.418 27.577 48.723 1.00 26.29 N ATOM 73 CA GLY 100 -20.105 27.824 47.487 1.00 26.29 C ATOM 74 C GLY 100 -19.863 29.246 47.064 1.00 26.29 C ATOM 75 O GLY 100 -20.414 29.699 46.063 1.00 26.29 O ATOM 76 N LYS 101 -19.038 30.001 47.818 1.00 93.30 N ATOM 77 CA LYS 101 -18.757 31.360 47.440 1.00 93.30 C ATOM 78 CB LYS 101 -18.053 32.169 48.538 1.00 93.30 C ATOM 79 CG LYS 101 -17.940 33.664 48.226 1.00 93.30 C ATOM 80 CD LYS 101 -17.424 34.479 49.410 1.00 93.30 C ATOM 81 CE LYS 101 -18.066 34.092 50.746 1.00 93.30 C ATOM 82 NZ LYS 101 -17.392 34.797 51.859 1.00 93.30 N ATOM 83 C LYS 101 -17.833 31.337 46.259 1.00 93.30 C ATOM 84 O LYS 101 -16.976 30.462 46.151 1.00 93.30 O ATOM 85 N SER 102 -17.979 32.315 45.337 1.00 55.36 N ATOM 86 CA SER 102 -17.131 32.330 44.177 1.00 55.36 C ATOM 87 CB SER 102 -17.886 32.373 42.839 1.00 55.36 C ATOM 88 OG SER 102 -18.560 31.142 42.622 1.00 55.36 O ATOM 89 C SER 102 -16.241 33.533 44.231 1.00 55.36 C ATOM 90 O SER 102 -16.579 34.551 44.835 1.00 55.36 O ATOM 91 N PHE 103 -15.054 33.427 43.593 1.00147.17 N ATOM 92 CA PHE 103 -14.075 34.481 43.630 1.00147.17 C ATOM 93 CB PHE 103 -12.848 34.108 44.485 1.00147.17 C ATOM 94 CG PHE 103 -13.290 34.040 45.908 1.00147.17 C ATOM 95 CD1 PHE 103 -13.807 32.876 46.429 1.00147.17 C ATOM 96 CD2 PHE 103 -13.203 35.151 46.716 1.00147.17 C ATOM 97 CE1 PHE 103 -14.219 32.817 47.740 1.00147.17 C ATOM 98 CE2 PHE 103 -13.611 35.100 48.028 1.00147.17 C ATOM 99 CZ PHE 103 -14.119 33.930 48.541 1.00147.17 C ATOM 100 C PHE 103 -13.572 34.761 42.244 1.00147.17 C ATOM 101 O PHE 103 -13.557 33.889 41.378 1.00147.17 O ATOM 102 N SER 104 -13.171 36.027 42.006 1.00 37.40 N ATOM 103 CA SER 104 -12.622 36.448 40.749 1.00 37.40 C ATOM 104 CB SER 104 -12.518 37.976 40.618 1.00 37.40 C ATOM 105 OG SER 104 -11.576 38.478 41.556 1.00 37.40 O ATOM 106 C SER 104 -11.228 35.910 40.610 1.00 37.40 C ATOM 107 O SER 104 -10.757 35.709 39.492 1.00 37.40 O ATOM 108 N GLN 105 -10.525 35.672 41.741 1.00 53.75 N ATOM 109 CA GLN 105 -9.144 35.270 41.663 1.00 53.75 C ATOM 110 CB GLN 105 -8.198 36.219 42.414 1.00 53.75 C ATOM 111 CG GLN 105 -8.242 37.671 41.943 1.00 53.75 C ATOM 112 CD GLN 105 -7.370 38.458 42.909 1.00 53.75 C ATOM 113 OE1 GLN 105 -6.210 38.755 42.624 1.00 53.75 O ATOM 114 NE2 GLN 105 -7.947 38.791 44.095 1.00 53.75 N ATOM 115 C GLN 105 -8.952 33.948 42.339 1.00 53.75 C ATOM 116 O GLN 105 -9.533 33.672 43.386 1.00 53.75 O ATOM 117 N SER 106 -8.094 33.096 41.746 1.00 70.13 N ATOM 118 CA SER 106 -7.812 31.801 42.298 1.00 70.13 C ATOM 119 CB SER 106 -6.922 30.942 41.389 1.00 70.13 C ATOM 120 OG SER 106 -5.641 31.540 41.257 1.00 70.13 O ATOM 121 C SER 106 -7.083 31.964 43.595 1.00 70.13 C ATOM 122 O SER 106 -7.342 31.239 44.554 1.00 70.13 O ATOM 123 N SER 107 -6.146 32.931 43.656 1.00 60.76 N ATOM 124 CA SER 107 -5.338 33.118 44.831 1.00 60.76 C ATOM 125 CB SER 107 -4.293 34.237 44.668 1.00 60.76 C ATOM 126 OG SER 107 -3.532 34.370 45.859 1.00 60.76 O ATOM 127 C SER 107 -6.223 33.498 45.970 1.00 60.76 C ATOM 128 O SER 107 -6.028 33.042 47.097 1.00 60.76 O ATOM 129 N SER 108 -7.229 34.346 45.698 1.00 62.44 N ATOM 130 CA SER 108 -8.101 34.814 46.733 1.00 62.44 C ATOM 131 CB SER 108 -9.108 35.866 46.239 1.00 62.44 C ATOM 132 OG SER 108 -9.923 36.298 47.318 1.00 62.44 O ATOM 133 C SER 108 -8.881 33.661 47.268 1.00 62.44 C ATOM 134 O SER 108 -9.107 33.566 48.473 1.00 62.44 O ATOM 135 N LEU 109 -9.319 32.749 46.381 1.00105.45 N ATOM 136 CA LEU 109 -10.097 31.633 46.833 1.00105.45 C ATOM 137 CB LEU 109 -10.650 30.780 45.673 1.00105.45 C ATOM 138 CG LEU 109 -11.530 29.586 46.105 1.00105.45 C ATOM 139 CD1 LEU 109 -10.706 28.432 46.695 1.00105.45 C ATOM 140 CD2 LEU 109 -12.646 30.041 47.056 1.00105.45 C ATOM 141 C LEU 109 -9.241 30.773 47.711 1.00105.45 C ATOM 142 O LEU 109 -9.696 30.281 48.742 1.00105.45 O ATOM 143 N ASN 110 -7.962 30.590 47.336 1.00 35.40 N ATOM 144 CA ASN 110 -7.090 29.710 48.059 1.00 35.40 C ATOM 145 CB ASN 110 -5.677 29.654 47.454 1.00 35.40 C ATOM 146 CG ASN 110 -5.799 28.976 46.093 1.00 35.40 C ATOM 147 OD1 ASN 110 -6.900 28.751 45.592 1.00 35.40 O ATOM 148 ND2 ASN 110 -4.635 28.632 45.478 1.00 35.40 N ATOM 149 C ASN 110 -6.994 30.191 49.467 1.00 35.40 C ATOM 150 O ASN 110 -7.030 29.393 50.403 1.00 35.40 O ATOM 151 N LEU 111 -6.891 31.515 49.661 1.00 65.98 N ATOM 152 CA LEU 111 -6.803 32.031 50.993 1.00 65.98 C ATOM 153 CB LEU 111 -6.670 33.568 51.013 1.00 65.98 C ATOM 154 CG LEU 111 -6.563 34.230 52.410 1.00 65.98 C ATOM 155 CD1 LEU 111 -7.866 34.160 53.226 1.00 65.98 C ATOM 156 CD2 LEU 111 -5.349 33.685 53.174 1.00 65.98 C ATOM 157 C LEU 111 -8.079 31.669 51.674 1.00 65.98 C ATOM 158 O LEU 111 -8.084 31.260 52.833 1.00 65.98 O ATOM 159 N HIS 112 -9.203 31.788 50.950 1.00 47.72 N ATOM 160 CA HIS 112 -10.486 31.552 51.537 1.00 47.72 C ATOM 161 ND1 HIS 112 -13.598 32.772 51.779 1.00 47.72 N ATOM 162 CG HIS 112 -12.982 31.699 51.174 1.00 47.72 C ATOM 163 CB HIS 112 -11.629 31.766 50.534 1.00 47.72 C ATOM 164 NE2 HIS 112 -14.979 31.044 51.985 1.00 47.72 N ATOM 165 CD2 HIS 112 -13.838 30.651 51.309 1.00 47.72 C ATOM 166 CE1 HIS 112 -14.788 32.323 52.247 1.00 47.72 C ATOM 167 C HIS 112 -10.574 30.141 52.036 1.00 47.72 C ATOM 168 O HIS 112 -10.992 29.908 53.168 1.00 47.72 O ATOM 169 N MET 113 -10.169 29.143 51.230 1.00 77.45 N ATOM 170 CA MET 113 -10.332 27.803 51.717 1.00 77.45 C ATOM 171 CB MET 113 -10.518 26.754 50.606 1.00 77.45 C ATOM 172 CG MET 113 -11.049 25.415 51.131 1.00 77.45 C ATOM 173 SD MET 113 -11.318 24.133 49.868 1.00 77.45 S ATOM 174 CE MET 113 -12.235 23.015 50.968 1.00 77.45 C ATOM 175 C MET 113 -9.126 27.395 52.556 1.00 77.45 C ATOM 176 O MET 113 -9.350 27.071 53.754 1.00 77.45 O ATOM 177 OXT MET 113 -7.983 27.392 52.026 1.00 77.45 O