EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:00:54 REMARK 6 MODELLER OBJECTIVE FUNCTION: 90.4454 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 66.667 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1230.72949 REMARK 6 GA341 score: 0.95527 REMARK 6 Normalized DOPE score: -1.89078 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 66.7% ATOM 1 N GLU 186 -12.601 20.156 56.824 1.00 62.21 N ATOM 2 CA GLU 186 -13.145 21.403 56.240 1.00 62.21 C ATOM 3 CB GLU 186 -14.668 21.311 56.077 1.00 62.21 C ATOM 4 CG GLU 186 -15.147 20.295 55.045 1.00 62.21 C ATOM 5 CD GLU 186 -16.663 20.253 55.170 1.00 62.21 C ATOM 6 OE1 GLU 186 -17.187 20.896 56.118 1.00 62.21 O ATOM 7 OE2 GLU 186 -17.316 19.577 54.330 1.00 62.21 O ATOM 8 C GLU 186 -12.895 22.576 57.127 1.00 62.21 C ATOM 9 O GLU 186 -12.414 22.436 58.251 1.00 62.21 O ATOM 10 N LYS 187 -13.202 23.782 56.610 1.00102.08 N ATOM 11 CA LYS 187 -13.082 24.972 57.401 1.00102.08 C ATOM 12 CB LYS 187 -11.970 25.914 56.909 1.00102.08 C ATOM 13 CG LYS 187 -10.572 25.321 57.101 1.00102.08 C ATOM 14 CD LYS 187 -9.488 26.024 56.284 1.00102.08 C ATOM 15 CE LYS 187 -9.357 25.473 54.863 1.00102.08 C ATOM 16 NZ LYS 187 -10.644 25.603 54.141 1.00102.08 N ATOM 17 C LYS 187 -14.389 25.691 57.268 1.00102.08 C ATOM 18 O LYS 187 -14.644 26.396 56.294 1.00102.08 O ATOM 19 N PRO 188 -15.217 25.494 58.255 1.00109.82 N ATOM 20 CA PRO 188 -16.542 26.055 58.268 1.00109.82 C ATOM 21 CD PRO 188 -15.134 24.267 59.028 1.00109.82 C ATOM 22 CB PRO 188 -17.280 25.343 59.400 1.00109.82 C ATOM 23 CG PRO 188 -16.565 23.985 59.510 1.00109.82 C ATOM 24 C PRO 188 -16.620 27.541 58.386 1.00109.82 C ATOM 25 O PRO 188 -17.595 28.112 57.898 1.00109.82 O ATOM 26 N TYR 189 -15.631 28.204 59.010 1.00 61.77 N ATOM 27 CA TYR 189 -15.825 29.609 59.210 1.00 61.77 C ATOM 28 CB TYR 189 -15.623 30.072 60.662 1.00 61.77 C ATOM 29 CG TYR 189 -16.786 29.544 61.429 1.00 61.77 C ATOM 30 CD1 TYR 189 -17.997 30.194 61.367 1.00 61.77 C ATOM 31 CD2 TYR 189 -16.677 28.413 62.204 1.00 61.77 C ATOM 32 CE1 TYR 189 -19.086 29.726 62.061 1.00 61.77 C ATOM 33 CE2 TYR 189 -17.762 27.938 62.903 1.00 61.77 C ATOM 34 CZ TYR 189 -18.968 28.596 62.831 1.00 61.77 C ATOM 35 OH TYR 189 -20.085 28.112 63.545 1.00 61.77 O ATOM 36 C TYR 189 -14.898 30.381 58.341 1.00 61.77 C ATOM 37 O TYR 189 -13.692 30.143 58.314 1.00 61.77 O ATOM 38 N SER 190 -15.464 31.347 57.593 1.00 36.28 N ATOM 39 CA SER 190 -14.644 32.119 56.714 1.00 36.28 C ATOM 40 CB SER 190 -15.087 32.049 55.243 1.00 36.28 C ATOM 41 OG SER 190 -14.967 30.718 54.764 1.00 36.28 O ATOM 42 C SER 190 -14.708 33.551 57.134 1.00 36.28 C ATOM 43 O SER 190 -15.748 34.046 57.566 1.00 36.28 O ATOM 44 N CYS 191 -13.560 34.249 57.031 1.00 43.26 N ATOM 45 CA CYS 191 -13.504 35.639 57.380 1.00 43.26 C ATOM 46 CB CYS 191 -12.068 36.165 57.537 1.00 43.26 C ATOM 47 SG CYS 191 -12.013 37.927 57.979 1.00 43.26 S ATOM 48 C CYS 191 -14.167 36.407 56.283 1.00 43.26 C ATOM 49 O CYS 191 -13.898 36.191 55.103 1.00 43.26 O ATOM 50 N PRO 192 -15.041 37.300 56.647 1.00 74.49 N ATOM 51 CA PRO 192 -15.741 38.048 55.646 1.00 74.49 C ATOM 52 CD PRO 192 -15.812 37.168 57.872 1.00 74.49 C ATOM 53 CB PRO 192 -16.855 38.785 56.382 1.00 74.49 C ATOM 54 CG PRO 192 -17.149 37.876 57.589 1.00 74.49 C ATOM 55 C PRO 192 -14.858 38.945 54.850 1.00 74.49 C ATOM 56 O PRO 192 -15.157 39.171 53.678 1.00 74.49 O ATOM 57 N GLN 193 -13.821 39.530 55.478 1.00143.14 N ATOM 58 CA GLN 193 -13.023 40.455 54.731 1.00143.14 C ATOM 59 CB GLN 193 -12.120 41.298 55.643 1.00143.14 C ATOM 60 CG GLN 193 -12.894 42.162 56.642 1.00143.14 C ATOM 61 CD GLN 193 -13.604 43.272 55.880 1.00143.14 C ATOM 62 OE1 GLN 193 -13.482 43.385 54.661 1.00143.14 O ATOM 63 NE2 GLN 193 -14.371 44.115 56.621 1.00143.14 N ATOM 64 C GLN 193 -12.131 39.774 53.734 1.00143.14 C ATOM 65 O GLN 193 -12.242 40.006 52.530 1.00143.14 O ATOM 66 N CYS 194 -11.220 38.911 54.240 1.00 60.32 N ATOM 67 CA CYS 194 -10.223 38.228 53.456 1.00 60.32 C ATOM 68 CB CYS 194 -9.026 37.757 54.305 1.00 60.32 C ATOM 69 SG CYS 194 -9.504 36.662 55.672 1.00 60.32 S ATOM 70 C CYS 194 -10.767 37.060 52.686 1.00 60.32 C ATOM 71 O CYS 194 -10.387 36.837 51.537 1.00 60.32 O ATOM 72 N GLY 195 -11.676 36.274 53.294 1.00 27.14 N ATOM 73 CA GLY 195 -12.182 35.114 52.618 1.00 27.14 C ATOM 74 C GLY 195 -11.418 33.901 53.072 1.00 27.14 C ATOM 75 O GLY 195 -11.637 32.803 52.566 1.00 27.14 O ATOM 76 N LYS 196 -10.496 34.064 54.042 1.00 59.12 N ATOM 77 CA LYS 196 -9.735 32.945 54.536 1.00 59.12 C ATOM 78 CB LYS 196 -8.541 33.375 55.410 1.00 59.12 C ATOM 79 CG LYS 196 -7.566 32.241 55.728 1.00 59.12 C ATOM 80 CD LYS 196 -6.217 32.735 56.255 1.00 59.12 C ATOM 81 CE LYS 196 -5.238 31.605 56.566 1.00 59.12 C ATOM 82 NZ LYS 196 -3.908 32.168 56.889 1.00 59.12 N ATOM 83 C LYS 196 -10.648 32.080 55.366 1.00 59.12 C ATOM 84 O LYS 196 -11.550 32.581 56.038 1.00 59.12 O ATOM 85 N SER 197 -10.429 30.743 55.342 1.00 53.93 N ATOM 86 CA SER 197 -11.298 29.836 56.054 1.00 53.93 C ATOM 87 CB SER 197 -11.815 28.676 55.183 1.00 53.93 C ATOM 88 OG SER 197 -12.610 29.173 54.118 1.00 53.93 O ATOM 89 C SER 197 -10.559 29.208 57.204 1.00 53.93 C ATOM 90 O SER 197 -9.352 28.982 57.135 1.00 53.93 O ATOM 91 N TYR 198 -11.296 28.905 58.302 1.00142.47 N ATOM 92 CA TYR 198 -10.717 28.332 59.491 1.00142.47 C ATOM 93 CB TYR 198 -10.681 29.309 60.682 1.00142.47 C ATOM 94 CG TYR 198 -9.700 30.379 60.366 1.00142.47 C ATOM 95 CD1 TYR 198 -10.086 31.487 59.649 1.00142.47 C ATOM 96 CD2 TYR 198 -8.393 30.261 60.777 1.00142.47 C ATOM 97 CE1 TYR 198 -9.178 32.474 59.352 1.00142.47 C ATOM 98 CE2 TYR 198 -7.482 31.246 60.484 1.00142.47 C ATOM 99 CZ TYR 198 -7.874 32.351 59.770 1.00142.47 C ATOM 100 OH TYR 198 -6.934 33.359 59.470 1.00142.47 O ATOM 101 C TYR 198 -11.536 27.164 59.950 1.00142.47 C ATOM 102 O TYR 198 -12.747 27.105 59.749 1.00142.47 O ATOM 103 N SER 199 -10.857 26.187 60.581 1.00 82.95 N ATOM 104 CA SER 199 -11.481 25.015 61.118 1.00 82.95 C ATOM 105 CB SER 199 -10.450 23.978 61.583 1.00 82.95 C ATOM 106 OG SER 199 -9.644 23.576 60.487 1.00 82.95 O ATOM 107 C SER 199 -12.299 25.393 62.318 1.00 82.95 C ATOM 108 O SER 199 -13.334 24.782 62.584 1.00 82.95 O ATOM 109 N GLN 200 -11.860 26.410 63.090 1.00 49.73 N ATOM 110 CA GLN 200 -12.585 26.709 64.294 1.00 49.73 C ATOM 111 CB GLN 200 -11.866 26.204 65.553 1.00 49.73 C ATOM 112 CG GLN 200 -11.829 24.678 65.607 1.00 49.73 C ATOM 113 CD GLN 200 -11.025 24.266 66.824 1.00 49.73 C ATOM 114 OE1 GLN 200 -10.242 25.049 67.358 1.00 49.73 O ATOM 115 NE2 GLN 200 -11.214 22.994 67.267 1.00 49.73 N ATOM 116 C GLN 200 -12.818 28.183 64.429 1.00 49.73 C ATOM 117 O GLN 200 -12.067 29.004 63.905 1.00 49.73 O ATOM 118 N ASN 201 -13.896 28.544 65.157 1.00 72.16 N ATOM 119 CA ASN 201 -14.299 29.910 65.354 1.00 72.16 C ATOM 120 CB ASN 201 -15.610 30.044 66.149 1.00 72.16 C ATOM 121 CG ASN 201 -15.984 31.520 66.259 1.00 72.16 C ATOM 122 OD1 ASN 201 -15.591 32.345 65.437 1.00 72.16 O ATOM 123 ND2 ASN 201 -16.769 31.863 67.315 1.00 72.16 N ATOM 124 C ASN 201 -13.254 30.651 66.124 1.00 72.16 C ATOM 125 O ASN 201 -12.957 31.805 65.817 1.00 72.16 O ATOM 126 N SER 202 -12.654 30.003 67.141 1.00 66.74 N ATOM 127 CA SER 202 -11.706 30.678 67.982 1.00 66.74 C ATOM 128 CB SER 202 -11.090 29.755 69.049 1.00 66.74 C ATOM 129 OG SER 202 -12.087 29.333 69.968 1.00 66.74 O ATOM 130 C SER 202 -10.594 31.179 67.127 1.00 66.74 C ATOM 131 O SER 202 -10.146 32.315 67.280 1.00 66.74 O ATOM 132 N ASN 203 -10.133 30.336 66.188 1.00 34.83 N ATOM 133 CA ASN 203 -9.054 30.708 65.324 1.00 34.83 C ATOM 134 CB ASN 203 -8.610 29.559 64.402 1.00 34.83 C ATOM 135 CG ASN 203 -7.926 28.502 65.260 1.00 34.83 C ATOM 136 OD1 ASN 203 -7.035 28.812 66.051 1.00 34.83 O ATOM 137 ND2 ASN 203 -8.354 27.220 65.106 1.00 34.83 N ATOM 138 C ASN 203 -9.493 31.846 64.454 1.00 34.83 C ATOM 139 O ASN 203 -8.723 32.773 64.207 1.00 34.83 O ATOM 140 N LEU 204 -10.755 31.822 63.983 1.00103.31 N ATOM 141 CA LEU 204 -11.226 32.838 63.085 1.00103.31 C ATOM 142 CB LEU 204 -12.702 32.604 62.685 1.00103.31 C ATOM 143 CG LEU 204 -13.333 33.632 61.717 1.00103.31 C ATOM 144 CD1 LEU 204 -13.535 35.004 62.380 1.00103.31 C ATOM 145 CD2 LEU 204 -12.572 33.715 60.385 1.00103.31 C ATOM 146 C LEU 204 -11.094 34.152 63.784 1.00103.31 C ATOM 147 O LEU 204 -10.639 35.136 63.198 1.00103.31 O ATOM 148 N GLU 205 -11.458 34.199 65.076 1.00 60.79 N ATOM 149 CA GLU 205 -11.368 35.445 65.779 1.00 60.79 C ATOM 150 CB GLU 205 -11.772 35.344 67.261 1.00 60.79 C ATOM 151 CG GLU 205 -13.271 35.147 67.484 1.00 60.79 C ATOM 152 CD GLU 205 -13.941 36.487 67.221 1.00 60.79 C ATOM 153 OE1 GLU 205 -13.209 37.442 66.846 1.00 60.79 O ATOM 154 OE2 GLU 205 -15.184 36.578 67.396 1.00 60.79 O ATOM 155 C GLU 205 -9.943 35.884 65.757 1.00 60.79 C ATOM 156 O GLU 205 -9.644 37.039 65.451 1.00 60.79 O ATOM 157 N VAL 206 -9.010 34.963 66.054 1.00 17.57 N ATOM 158 CA VAL 206 -7.634 35.355 66.071 1.00 17.57 C ATOM 159 CB VAL 206 -6.714 34.273 66.563 1.00 17.57 C ATOM 160 CG1 VAL 206 -5.272 34.798 66.521 1.00 17.57 C ATOM 161 CG2 VAL 206 -7.159 33.834 67.963 1.00 17.57 C ATOM 162 C VAL 206 -7.271 35.637 64.612 1.00 17.57 C ATOM 163 O VAL 206 -6.185 36.231 64.371 1.00 17.57 O ATOM 164 OXT VAL 206 -8.078 35.269 63.717 1.00 17.57 O