EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:20:58 REMARK 6 MODELLER OBJECTIVE FUNCTION: 92.0847 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 60.870 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1505.81250 REMARK 6 GA341 score: 0.99778 REMARK 6 Normalized DOPE score: -0.92977 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 60.9% ATOM 1 N GLU 193 -4.543 47.983 53.328 1.00101.34 N ATOM 2 CA GLU 193 -5.354 47.040 54.125 1.00101.34 C ATOM 3 CB GLU 193 -6.854 47.260 53.854 1.00101.34 C ATOM 4 CG GLU 193 -7.339 48.672 54.192 1.00101.34 C ATOM 5 CD GLU 193 -7.355 48.858 55.704 1.00101.34 C ATOM 6 OE1 GLU 193 -8.137 48.144 56.387 1.00101.34 O ATOM 7 OE2 GLU 193 -6.586 49.727 56.194 1.00101.34 O ATOM 8 C GLU 193 -5.011 45.647 53.714 1.00101.34 C ATOM 9 O GLU 193 -4.295 45.434 52.737 1.00101.34 O ATOM 10 N LYS 194 -5.480 44.655 54.490 1.00 90.90 N ATOM 11 CA LYS 194 -5.265 43.292 54.103 1.00 90.90 C ATOM 12 CB LYS 194 -4.616 42.429 55.199 1.00 90.90 C ATOM 13 CG LYS 194 -3.153 42.787 55.486 1.00 90.90 C ATOM 14 CD LYS 194 -2.948 44.163 56.125 1.00 90.90 C ATOM 15 CE LYS 194 -1.475 44.525 56.344 1.00 90.90 C ATOM 16 NZ LYS 194 -1.359 45.937 56.774 1.00 90.90 N ATOM 17 C LYS 194 -6.630 42.746 53.846 1.00 90.90 C ATOM 18 O LYS 194 -7.358 42.345 54.751 1.00 90.90 O ATOM 19 N PRO 195 -6.977 42.759 52.597 1.00112.33 N ATOM 20 CA PRO 195 -8.292 42.343 52.197 1.00112.33 C ATOM 21 CD PRO 195 -6.460 43.814 51.743 1.00112.33 C ATOM 22 CB PRO 195 -8.493 42.902 50.790 1.00112.33 C ATOM 23 CG PRO 195 -7.592 44.148 50.761 1.00112.33 C ATOM 24 C PRO 195 -8.604 40.885 52.307 1.00112.33 C ATOM 25 O PRO 195 -9.788 40.552 52.311 1.00112.33 O ATOM 26 N TYR 196 -7.603 39.990 52.396 1.00 58.14 N ATOM 27 CA TYR 196 -7.966 38.602 52.376 1.00 58.14 C ATOM 28 CB TYR 196 -7.150 37.783 51.362 1.00 58.14 C ATOM 29 CG TYR 196 -7.523 38.325 50.023 1.00 58.14 C ATOM 30 CD1 TYR 196 -8.679 37.909 49.401 1.00 58.14 C ATOM 31 CD2 TYR 196 -6.727 39.259 49.396 1.00 58.14 C ATOM 32 CE1 TYR 196 -9.036 38.406 48.168 1.00 58.14 C ATOM 33 CE2 TYR 196 -7.077 39.760 48.163 1.00 58.14 C ATOM 34 CZ TYR 196 -8.232 39.336 47.550 1.00 58.14 C ATOM 35 OH TYR 196 -8.588 39.852 46.286 1.00 58.14 O ATOM 36 C TYR 196 -7.772 38.020 53.735 1.00 58.14 C ATOM 37 O TYR 196 -6.676 38.055 54.293 1.00 58.14 O ATOM 38 N THR 197 -8.861 37.453 54.296 1.00 99.01 N ATOM 39 CA THR 197 -8.810 36.922 55.627 1.00 99.01 C ATOM 40 CB THR 197 -9.879 37.471 56.526 1.00 99.01 C ATOM 41 OG1 THR 197 -9.650 37.063 57.866 1.00 99.01 O ATOM 42 CG2 THR 197 -11.246 36.955 56.041 1.00 99.01 C ATOM 43 C THR 197 -8.992 35.437 55.593 1.00 99.01 C ATOM 44 O THR 197 -9.792 34.902 54.826 1.00 99.01 O ATOM 45 N CYS 198 -8.215 34.734 56.440 1.00 40.74 N ATOM 46 CA CYS 198 -8.280 33.304 56.548 1.00 40.74 C ATOM 47 CB CYS 198 -7.051 32.697 57.246 1.00 40.74 C ATOM 48 SG CYS 198 -7.132 30.887 57.381 1.00 40.74 S ATOM 49 C CYS 198 -9.478 32.949 57.366 1.00 40.74 C ATOM 50 O CYS 198 -9.737 33.536 58.416 1.00 40.74 O ATOM 51 N THR 199 -10.246 31.949 56.902 1.00106.54 N ATOM 52 CA THR 199 -11.434 31.560 57.594 1.00106.54 C ATOM 53 CB THR 199 -12.241 30.551 56.825 1.00106.54 C ATOM 54 OG1 THR 199 -13.498 30.343 57.449 1.00106.54 O ATOM 55 CG2 THR 199 -11.455 29.233 56.736 1.00106.54 C ATOM 56 C THR 199 -11.083 30.974 58.929 1.00106.54 C ATOM 57 O THR 199 -11.770 31.224 59.919 1.00106.54 O ATOM 58 N GLN 200 -10.020 30.147 58.990 1.00115.60 N ATOM 59 CA GLN 200 -9.751 29.483 60.232 1.00115.60 C ATOM 60 CB GLN 200 -8.664 28.403 60.084 1.00115.60 C ATOM 61 CG GLN 200 -9.029 27.303 59.088 1.00115.60 C ATOM 62 CD GLN 200 -7.886 26.302 59.067 1.00115.60 C ATOM 63 OE1 GLN 200 -8.035 25.181 59.542 1.00115.60 O ATOM 64 NE2 GLN 200 -6.715 26.715 58.508 1.00115.60 N ATOM 65 C GLN 200 -9.274 30.411 61.315 1.00115.60 C ATOM 66 O GLN 200 -9.945 30.591 62.331 1.00115.60 O ATOM 67 N CYS 201 -8.089 31.019 61.102 1.00 63.74 N ATOM 68 CA CYS 201 -7.419 31.852 62.067 1.00 63.74 C ATOM 69 CB CYS 201 -5.915 31.967 61.785 1.00 63.74 C ATOM 70 SG CYS 201 -5.577 32.646 60.137 1.00 63.74 S ATOM 71 C CYS 201 -7.982 33.237 62.156 1.00 63.74 C ATOM 72 O CYS 201 -8.058 33.812 63.240 1.00 63.74 O ATOM 73 N GLY 202 -8.379 33.827 61.012 1.00 27.17 N ATOM 74 CA GLY 202 -8.848 35.182 61.040 1.00 27.17 C ATOM 75 C GLY 202 -7.700 36.093 60.703 1.00 27.17 C ATOM 76 O GLY 202 -7.840 37.314 60.754 1.00 27.17 O ATOM 77 N LYS 203 -6.528 35.522 60.351 1.00 56.85 N ATOM 78 CA LYS 203 -5.380 36.313 59.987 1.00 56.85 C ATOM 79 CB LYS 203 -4.082 35.485 59.923 1.00 56.85 C ATOM 80 CG LYS 203 -2.810 36.293 59.653 1.00 56.85 C ATOM 81 CD LYS 203 -1.529 35.488 59.903 1.00 56.85 C ATOM 82 CE LYS 203 -0.232 36.252 59.625 1.00 56.85 C ATOM 83 NZ LYS 203 0.932 35.393 59.941 1.00 56.85 N ATOM 84 C LYS 203 -5.631 36.907 58.630 1.00 56.85 C ATOM 85 O LYS 203 -6.220 36.263 57.761 1.00 56.85 O ATOM 86 N SER 204 -5.176 38.164 58.407 1.00 50.75 N ATOM 87 CA SER 204 -5.441 38.824 57.154 1.00 50.75 C ATOM 88 CB SER 204 -6.087 40.212 57.317 1.00 50.75 C ATOM 89 OG SER 204 -7.383 40.088 57.882 1.00 50.75 O ATOM 90 C SER 204 -4.158 39.024 56.403 1.00 50.75 C ATOM 91 O SER 204 -3.093 39.171 56.998 1.00 50.75 O ATOM 92 N PHE 205 -4.243 39.038 55.053 1.00143.50 N ATOM 93 CA PHE 205 -3.066 39.158 54.234 1.00143.50 C ATOM 94 CB PHE 205 -2.722 37.853 53.489 1.00143.50 C ATOM 95 CG PHE 205 -2.310 36.829 54.493 1.00143.50 C ATOM 96 CD1 PHE 205 -3.250 36.041 55.122 1.00143.50 C ATOM 97 CD2 PHE 205 -0.982 36.665 54.814 1.00143.50 C ATOM 98 CE1 PHE 205 -2.872 35.098 56.050 1.00143.50 C ATOM 99 CE2 PHE 205 -0.599 35.723 55.740 1.00143.50 C ATOM 100 CZ PHE 205 -1.543 34.939 56.360 1.00143.50 C ATOM 101 C PHE 205 -3.286 40.200 53.181 1.00143.50 C ATOM 102 O PHE 205 -4.411 40.471 52.766 1.00143.50 O ATOM 103 N SER 206 -2.175 40.829 52.748 1.00 36.00 N ATOM 104 CA SER 206 -2.174 41.820 51.713 1.00 36.00 C ATOM 105 CB SER 206 -0.830 42.561 51.604 1.00 36.00 C ATOM 106 OG SER 206 0.206 41.642 51.291 1.00 36.00 O ATOM 107 C SER 206 -2.423 41.152 50.395 1.00 36.00 C ATOM 108 O SER 206 -3.025 41.746 49.502 1.00 36.00 O ATOM 109 N GLN 207 -1.969 39.892 50.231 1.00 40.85 N ATOM 110 CA GLN 207 -2.117 39.294 48.933 1.00 40.85 C ATOM 111 CB GLN 207 -0.782 39.076 48.201 1.00 40.85 C ATOM 112 CG GLN 207 -0.072 40.377 47.822 1.00 40.85 C ATOM 113 CD GLN 207 1.226 40.002 47.125 1.00 40.85 C ATOM 114 OE1 GLN 207 1.746 38.902 47.306 1.00 40.85 O ATOM 115 NE2 GLN 207 1.763 40.938 46.297 1.00 40.85 N ATOM 116 C GLN 207 -2.812 37.971 49.017 1.00 40.85 C ATOM 117 O GLN 207 -2.707 37.233 49.995 1.00 40.85 O ATOM 118 N LEU 208 -3.547 37.658 47.932 1.00133.29 N ATOM 119 CA LEU 208 -4.347 36.480 47.768 1.00133.29 C ATOM 120 CB LEU 208 -5.074 36.469 46.413 1.00133.29 C ATOM 121 CG LEU 208 -5.979 37.691 46.164 1.00133.29 C ATOM 122 CD1 LEU 208 -5.165 38.992 46.047 1.00133.29 C ATOM 123 CD2 LEU 208 -6.891 37.462 44.949 1.00133.29 C ATOM 124 C LEU 208 -3.463 35.275 47.769 1.00133.29 C ATOM 125 O LEU 208 -3.776 34.266 48.399 1.00133.29 O ATOM 126 N SER 209 -2.322 35.350 47.060 1.00 23.06 N ATOM 127 CA SER 209 -1.463 34.210 46.931 1.00 23.06 C ATOM 128 CB SER 209 -0.240 34.473 46.034 1.00 23.06 C ATOM 129 OG SER 209 0.621 35.421 46.646 1.00 23.06 O ATOM 130 C SER 209 -0.938 33.832 48.273 1.00 23.06 C ATOM 131 O SER 209 -0.831 32.648 48.589 1.00 23.06 O ATOM 132 N HIS 210 -0.591 34.833 49.100 1.00 69.35 N ATOM 133 CA HIS 210 -0.009 34.529 50.373 1.00 69.35 C ATOM 134 ND1 HIS 210 2.892 35.337 52.006 1.00 69.35 N ATOM 135 CG HIS 210 1.526 35.332 52.175 1.00 69.35 C ATOM 136 CB HIS 210 0.556 35.751 51.111 1.00 69.35 C ATOM 137 NE2 HIS 210 2.509 34.565 54.055 1.00 69.35 N ATOM 138 CD2 HIS 210 1.309 34.858 53.432 1.00 69.35 C ATOM 139 CE1 HIS 210 3.432 34.868 53.160 1.00 69.35 C ATOM 140 C HIS 210 -1.033 33.873 51.246 1.00 69.35 C ATOM 141 O HIS 210 -0.713 32.965 52.011 1.00 69.35 O ATOM 142 N LEU 211 -2.300 34.323 51.165 1.00102.35 N ATOM 143 CA LEU 211 -3.330 33.749 51.984 1.00102.35 C ATOM 144 CB LEU 211 -4.684 34.475 51.808 1.00102.35 C ATOM 145 CG LEU 211 -5.868 33.946 52.652 1.00102.35 C ATOM 146 CD1 LEU 211 -6.364 32.572 52.168 1.00102.35 C ATOM 147 CD2 LEU 211 -5.553 33.969 54.152 1.00102.35 C ATOM 148 C LEU 211 -3.488 32.305 51.613 1.00102.35 C ATOM 149 O LEU 211 -3.592 31.443 52.484 1.00102.35 O ATOM 150 N ASN 212 -3.479 31.991 50.302 1.00 64.22 N ATOM 151 CA ASN 212 -3.695 30.636 49.872 1.00 64.22 C ATOM 152 CB ASN 212 -3.689 30.467 48.340 1.00 64.22 C ATOM 153 CG ASN 212 -4.047 29.017 48.022 1.00 64.22 C ATOM 154 OD1 ASN 212 -3.305 28.091 48.347 1.00 64.22 O ATOM 155 ND2 ASN 212 -5.225 28.807 47.374 1.00 64.22 N ATOM 156 C ASN 212 -2.615 29.769 50.432 1.00 64.22 C ATOM 157 O ASN 212 -2.876 28.659 50.893 1.00 64.22 O ATOM 158 N ASP 213 -1.367 30.263 50.409 1.00 53.73 N ATOM 159 CA ASP 213 -0.271 29.490 50.908 1.00 53.73 C ATOM 160 CB ASP 213 1.081 30.203 50.733 1.00 53.73 C ATOM 161 CG ASP 213 2.185 29.175 50.934 1.00 53.73 C ATOM 162 OD1 ASP 213 1.862 28.042 51.375 1.00 53.73 O ATOM 163 OD2 ASP 213 3.367 29.511 50.648 1.00 53.73 O ATOM 164 C ASP 213 -0.501 29.270 52.370 1.00 53.73 C ATOM 165 O ASP 213 -0.244 28.186 52.891 1.00 53.73 O ATOM 166 N HIS 214 -1.016 30.302 53.063 1.00 41.62 N ATOM 167 CA HIS 214 -1.247 30.215 54.474 1.00 41.62 C ATOM 168 ND1 HIS 214 -0.974 31.494 57.496 1.00 41.62 N ATOM 169 CG HIS 214 -1.982 31.431 56.559 1.00 41.62 C ATOM 170 CB HIS 214 -1.772 31.526 55.080 1.00 41.62 C ATOM 171 NE2 HIS 214 -2.871 31.216 58.622 1.00 41.62 N ATOM 172 CD2 HIS 214 -3.134 31.261 57.265 1.00 41.62 C ATOM 173 CE1 HIS 214 -1.560 31.360 58.712 1.00 41.62 C ATOM 174 C HIS 214 -2.259 29.147 54.728 1.00 41.62 C ATOM 175 O HIS 214 -2.121 28.398 55.694 1.00 41.62 O ATOM 176 N LEU 215 -3.300 29.073 53.872 1.00 24.30 N ATOM 177 CA LEU 215 -4.335 28.081 53.985 1.00 24.30 C ATOM 178 CB LEU 215 -5.187 27.949 52.707 1.00 24.30 C ATOM 179 CG LEU 215 -5.997 29.208 52.347 1.00 24.30 C ATOM 180 CD1 LEU 215 -6.820 28.998 51.064 1.00 24.30 C ATOM 181 CD2 LEU 215 -6.852 29.678 53.536 1.00 24.30 C ATOM 182 C LEU 215 -3.659 26.730 54.181 1.00 24.30 C ATOM 183 O LEU 215 -3.928 26.074 55.225 1.00 24.30 O ATOM 184 OXT LEU 215 -2.856 26.345 53.291 1.00 24.30 O