EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:28 REMARK 6 MODELLER OBJECTIVE FUNCTION: 95.7692 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.826 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1346.14624 REMARK 6 GA341 score: 0.97304 REMARK 6 Normalized DOPE score: -0.85491 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 47.8% ATOM 1 N GLU 86 5.160 32.577 48.324 1.00 61.55 N ATOM 2 CA GLU 86 3.776 32.785 48.809 1.00 61.55 C ATOM 3 CB GLU 86 2.924 33.491 47.748 1.00 61.55 C ATOM 4 CG GLU 86 3.291 34.952 47.513 1.00 61.55 C ATOM 5 CD GLU 86 2.368 35.459 46.417 1.00 61.55 C ATOM 6 OE1 GLU 86 2.324 34.816 45.336 1.00 61.55 O ATOM 7 OE2 GLU 86 1.686 36.493 46.653 1.00 61.55 O ATOM 8 C GLU 86 3.104 31.484 49.080 1.00 61.55 C ATOM 9 O GLU 86 3.569 30.430 48.651 1.00 61.55 O ATOM 10 N LYS 87 1.992 31.537 49.837 1.00 95.27 N ATOM 11 CA LYS 87 1.222 30.352 50.067 1.00 95.27 C ATOM 12 CB LYS 87 1.275 29.857 51.524 1.00 95.27 C ATOM 13 CG LYS 87 2.684 29.580 52.058 1.00 95.27 C ATOM 14 CD LYS 87 3.477 30.855 52.356 1.00 95.27 C ATOM 15 CE LYS 87 4.856 30.603 52.966 1.00 95.27 C ATOM 16 NZ LYS 87 5.537 31.893 53.213 1.00 95.27 N ATOM 17 C LYS 87 -0.198 30.748 49.803 1.00 95.27 C ATOM 18 O LYS 87 -0.911 31.204 50.696 1.00 95.27 O ATOM 19 N PRO 88 -0.611 30.595 48.582 1.00117.03 N ATOM 20 CA PRO 88 -1.940 30.969 48.181 1.00117.03 C ATOM 21 CD PRO 88 0.322 30.629 47.471 1.00117.03 C ATOM 22 CB PRO 88 -1.900 31.101 46.656 1.00117.03 C ATOM 23 CG PRO 88 -0.567 30.455 46.237 1.00117.03 C ATOM 24 C PRO 88 -3.062 30.104 48.672 1.00117.03 C ATOM 25 O PRO 88 -4.192 30.590 48.697 1.00117.03 O ATOM 26 N PHE 89 -2.812 28.837 49.059 1.00 57.13 N ATOM 27 CA PHE 89 -3.934 28.016 49.423 1.00 57.13 C ATOM 28 CB PHE 89 -3.849 26.591 48.848 1.00 57.13 C ATOM 29 CG PHE 89 -3.768 26.719 47.363 1.00 57.13 C ATOM 30 CD1 PHE 89 -4.879 27.021 46.607 1.00 57.13 C ATOM 31 CD2 PHE 89 -2.567 26.526 46.721 1.00 57.13 C ATOM 32 CE1 PHE 89 -4.790 27.134 45.238 1.00 57.13 C ATOM 33 CE2 PHE 89 -2.472 26.637 45.353 1.00 57.13 C ATOM 34 CZ PHE 89 -3.585 26.942 44.608 1.00 57.13 C ATOM 35 C PHE 89 -3.979 27.890 50.911 1.00 57.13 C ATOM 36 O PHE 89 -3.009 27.463 51.536 1.00 57.13 O ATOM 37 N THR 90 -5.131 28.241 51.520 1.00 98.14 N ATOM 38 CA THR 90 -5.222 28.154 52.949 1.00 98.14 C ATOM 39 CB THR 90 -5.613 29.446 53.607 1.00 98.14 C ATOM 40 OG1 THR 90 -5.490 29.333 55.016 1.00 98.14 O ATOM 41 CG2 THR 90 -7.067 29.779 53.229 1.00 98.14 C ATOM 42 C THR 90 -6.257 27.138 53.316 1.00 98.14 C ATOM 43 O THR 90 -7.294 27.020 52.664 1.00 98.14 O ATOM 44 N CYS 91 -5.967 26.349 54.374 1.00 48.73 N ATOM 45 CA CYS 91 -6.880 25.360 54.875 1.00 48.73 C ATOM 46 CB CYS 91 -6.223 24.347 55.836 1.00 48.73 C ATOM 47 SG CYS 91 -7.378 23.089 56.463 1.00 48.73 S ATOM 48 C CYS 91 -7.950 26.086 55.626 1.00 48.73 C ATOM 49 O CYS 91 -7.682 26.982 56.425 1.00 48.73 O ATOM 50 N THR 92 -9.214 25.707 55.384 1.00113.61 N ATOM 51 CA THR 92 -10.299 26.410 55.995 1.00113.61 C ATOM 52 CB THR 92 -11.639 25.989 55.462 1.00113.61 C ATOM 53 OG1 THR 92 -11.908 24.633 55.787 1.00113.61 O ATOM 54 CG2 THR 92 -11.626 26.174 53.932 1.00113.61 C ATOM 55 C THR 92 -10.284 26.211 57.475 1.00113.61 C ATOM 56 O THR 92 -10.504 27.158 58.229 1.00113.61 O ATOM 57 N GLN 93 -10.065 24.967 57.940 1.00117.36 N ATOM 58 CA GLN 93 -10.152 24.774 59.356 1.00117.36 C ATOM 59 CB GLN 93 -10.255 23.291 59.724 1.00117.36 C ATOM 60 CG GLN 93 -11.549 22.653 59.215 1.00117.36 C ATOM 61 CD GLN 93 -11.467 21.152 59.449 1.00117.36 C ATOM 62 OE1 GLN 93 -11.508 20.365 58.504 1.00117.36 O ATOM 63 NE2 GLN 93 -11.355 20.740 60.740 1.00117.36 N ATOM 64 C GLN 93 -9.007 25.363 60.128 1.00117.36 C ATOM 65 O GLN 93 -9.226 26.168 61.032 1.00117.36 O ATOM 66 N CYS 94 -7.759 24.956 59.808 1.00 59.45 N ATOM 67 CA CYS 94 -6.600 25.390 60.548 1.00 59.45 C ATOM 68 CB CYS 94 -5.378 24.477 60.341 1.00 59.45 C ATOM 69 SG CYS 94 -4.861 24.351 58.606 1.00 59.45 S ATOM 70 C CYS 94 -6.202 26.795 60.220 1.00 59.45 C ATOM 71 O CYS 94 -5.858 27.573 61.109 1.00 59.45 O ATOM 72 N GLY 95 -6.246 27.166 58.926 1.00 27.47 N ATOM 73 CA GLY 95 -5.808 28.476 58.542 1.00 27.47 C ATOM 74 C GLY 95 -4.392 28.389 58.055 1.00 27.47 C ATOM 75 O GLY 95 -3.789 29.405 57.716 1.00 27.47 O ATOM 76 N LYS 96 -3.820 27.169 58.003 1.00 69.30 N ATOM 77 CA LYS 96 -2.463 26.989 57.557 1.00 69.30 C ATOM 78 CB LYS 96 -1.913 25.591 57.891 1.00 69.30 C ATOM 79 CG LYS 96 -0.392 25.463 57.818 1.00 69.30 C ATOM 80 CD LYS 96 0.118 24.197 58.517 1.00 69.30 C ATOM 81 CE LYS 96 1.639 24.088 58.619 1.00 69.30 C ATOM 82 NZ LYS 96 2.005 22.925 59.462 1.00 69.30 N ATOM 83 C LYS 96 -2.428 27.169 56.066 1.00 69.30 C ATOM 84 O LYS 96 -3.374 26.807 55.369 1.00 69.30 O ATOM 85 N SER 97 -1.311 27.721 55.537 1.00 55.15 N ATOM 86 CA SER 97 -1.223 28.012 54.129 1.00 55.15 C ATOM 87 CB SER 97 -0.821 29.470 53.846 1.00 55.15 C ATOM 88 OG SER 97 -1.795 30.357 54.376 1.00 55.15 O ATOM 89 C SER 97 -0.194 27.131 53.472 1.00 55.15 C ATOM 90 O SER 97 0.785 26.718 54.093 1.00 55.15 O ATOM 91 N PHE 98 -0.413 26.823 52.172 1.00145.32 N ATOM 92 CA PHE 98 0.459 25.961 51.417 1.00145.32 C ATOM 93 CB PHE 98 -0.170 24.576 51.149 1.00145.32 C ATOM 94 CG PHE 98 -0.277 23.845 52.448 1.00145.32 C ATOM 95 CD1 PHE 98 -1.285 24.141 53.338 1.00145.32 C ATOM 96 CD2 PHE 98 0.640 22.877 52.790 1.00145.32 C ATOM 97 CE1 PHE 98 -1.387 23.478 54.540 1.00145.32 C ATOM 98 CE2 PHE 98 0.545 22.209 53.991 1.00145.32 C ATOM 99 CZ PHE 98 -0.471 22.508 54.867 1.00145.32 C ATOM 100 C PHE 98 0.731 26.580 50.079 1.00145.32 C ATOM 101 O PHE 98 -0.078 27.328 49.533 1.00145.32 O ATOM 102 N ASN 99 1.923 26.293 49.526 1.00 52.88 N ATOM 103 CA ASN 99 2.301 26.783 48.234 1.00 52.88 C ATOM 104 CB ASN 99 3.814 26.666 47.975 1.00 52.88 C ATOM 105 CG ASN 99 4.262 25.218 48.127 1.00 52.88 C ATOM 106 OD1 ASN 99 3.478 24.330 48.454 1.00 52.88 O ATOM 107 ND2 ASN 99 5.579 24.972 47.902 1.00 52.88 N ATOM 108 C ASN 99 1.522 26.096 47.144 1.00 52.88 C ATOM 109 O ASN 99 1.230 26.707 46.117 1.00 52.88 O ATOM 110 N CYS 100 1.170 24.804 47.320 1.00 32.54 N ATOM 111 CA CYS 100 0.500 24.100 46.261 1.00 32.54 C ATOM 112 CB CYS 100 1.299 22.902 45.718 1.00 32.54 C ATOM 113 SG CYS 100 2.862 23.387 44.923 1.00 32.54 S ATOM 114 C CYS 100 -0.799 23.553 46.765 1.00 32.54 C ATOM 115 O CYS 100 -0.936 23.190 47.933 1.00 32.54 O ATOM 116 N SER 101 -1.788 23.477 45.853 1.00 69.63 N ATOM 117 CA SER 101 -3.108 23.006 46.155 1.00 69.63 C ATOM 118 CB SER 101 -4.071 23.155 44.965 1.00 69.63 C ATOM 119 OG SER 101 -3.663 22.315 43.895 1.00 69.63 O ATOM 120 C SER 101 -3.060 21.552 46.504 1.00 69.63 C ATOM 121 O SER 101 -3.758 21.100 47.410 1.00 69.63 O ATOM 122 N SER 102 -2.216 20.784 45.795 1.00 63.86 N ATOM 123 CA SER 102 -2.152 19.367 45.987 1.00 63.86 C ATOM 124 CB SER 102 -1.100 18.721 45.072 1.00 63.86 C ATOM 125 OG SER 102 -1.398 19.017 43.716 1.00 63.86 O ATOM 126 C SER 102 -1.742 19.097 47.395 1.00 63.86 C ATOM 127 O SER 102 -2.289 18.213 48.053 1.00 63.86 O ATOM 128 N SER 103 -0.764 19.874 47.889 1.00 29.00 N ATOM 129 CA SER 103 -0.240 19.682 49.206 1.00 29.00 C ATOM 130 CB SER 103 0.945 20.612 49.500 1.00 29.00 C ATOM 131 OG SER 103 2.004 20.359 48.583 1.00 29.00 O ATOM 132 C SER 103 -1.306 19.973 50.212 1.00 29.00 C ATOM 133 O SER 103 -1.428 19.266 51.211 1.00 29.00 O ATOM 134 N LEU 104 -2.119 21.021 49.981 1.00103.71 N ATOM 135 CA LEU 104 -3.112 21.367 50.955 1.00103.71 C ATOM 136 CB LEU 104 -3.860 22.676 50.625 1.00103.71 C ATOM 137 CG LEU 104 -4.924 23.073 51.673 1.00103.71 C ATOM 138 CD1 LEU 104 -6.213 22.248 51.545 1.00103.71 C ATOM 139 CD2 LEU 104 -4.341 23.023 53.096 1.00103.71 C ATOM 140 C LEU 104 -4.105 20.253 51.071 1.00103.71 C ATOM 141 O LEU 104 -4.529 19.903 52.173 1.00103.71 O ATOM 142 N ASN 105 -4.495 19.644 49.936 1.00 62.86 N ATOM 143 CA ASN 105 -5.498 18.622 50.013 1.00 62.86 C ATOM 144 CB ASN 105 -5.879 18.021 48.653 1.00 62.86 C ATOM 145 CG ASN 105 -7.143 17.201 48.858 1.00 62.86 C ATOM 146 OD1 ASN 105 -7.212 16.346 49.740 1.00 62.86 O ATOM 147 ND2 ASN 105 -8.181 17.475 48.023 1.00 62.86 N ATOM 148 C ASN 105 -4.985 17.514 50.868 1.00 62.86 C ATOM 149 O ASN 105 -5.712 16.986 51.705 1.00 62.86 O ATOM 150 N ARG 106 -3.704 17.144 50.694 1.00102.98 N ATOM 151 CA ARG 106 -3.164 16.057 51.457 1.00102.98 C ATOM 152 CB ARG 106 -1.706 15.736 51.062 1.00102.98 C ATOM 153 CG ARG 106 -1.194 14.359 51.501 1.00102.98 C ATOM 154 CD ARG 106 -0.246 14.390 52.701 1.00102.98 C ATOM 155 NE ARG 106 0.428 13.061 52.768 1.00102.98 N ATOM 156 CZ ARG 106 1.644 12.948 53.379 1.00102.98 C ATOM 157 NH1 ARG 106 2.221 14.037 53.964 1.00102.98 N ATOM 158 NH2 ARG 106 2.283 11.742 53.415 1.00102.98 N ATOM 159 C ARG 106 -3.203 16.450 52.904 1.00102.98 C ATOM 160 O ARG 106 -3.548 15.649 53.772 1.00102.98 O ATOM 161 N HIS 107 -2.856 17.719 53.198 1.00 41.40 N ATOM 162 CA HIS 107 -2.819 18.184 54.557 1.00 41.40 C ATOM 163 ND1 HIS 107 -1.023 19.795 56.864 1.00 41.40 N ATOM 164 CG HIS 107 -2.131 20.092 56.102 1.00 41.40 C ATOM 165 CB HIS 107 -2.323 19.637 54.682 1.00 41.40 C ATOM 166 NE2 HIS 107 -2.360 21.030 58.142 1.00 41.40 N ATOM 167 CD2 HIS 107 -2.938 20.846 56.898 1.00 41.40 C ATOM 168 CE1 HIS 107 -1.212 20.382 58.074 1.00 41.40 C ATOM 169 C HIS 107 -4.199 18.118 55.118 1.00 41.40 C ATOM 170 O HIS 107 -4.406 17.677 56.247 1.00 41.40 O ATOM 171 N MET 108 -5.196 18.545 54.330 1.00 60.40 N ATOM 172 CA MET 108 -6.529 18.545 54.839 1.00 60.40 C ATOM 173 CB MET 108 -7.522 19.199 53.877 1.00 60.40 C ATOM 174 CG MET 108 -8.904 19.429 54.480 1.00 60.40 C ATOM 175 SD MET 108 -9.973 20.442 53.420 1.00 60.40 S ATOM 176 CE MET 108 -8.936 21.924 53.570 1.00 60.40 C ATOM 177 C MET 108 -6.970 17.108 55.055 1.00 60.40 C ATOM 178 O MET 108 -8.099 16.923 55.590 1.00 60.40 O ATOM 179 OXT MET 108 -6.191 16.185 54.697 1.00 60.40 O