EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/03/07 09:13:02 REMARK 6 MODELLER OBJECTIVE FUNCTION: -2248.6882 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 29.412 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -2248.68823 REMARK 6 GA341 score: 0.81106 REMARK 6 Normalized DOPE score: 0.00902 REMARK 6 TEMPLATE: 3gisZ01 ATOM 1 N ASP 3 34.821 -33.626 3.391 1.00 60.54 N ATOM 2 CA ASP 3 35.954 -34.156 2.604 1.00 60.54 C ATOM 3 CB ASP 3 36.569 -35.377 3.313 1.00 60.54 C ATOM 4 CG ASP 3 37.975 -35.607 2.771 1.00 60.54 C ATOM 5 OD1 ASP 3 38.531 -34.655 2.162 1.00 60.54 O ATOM 6 OD2 ASP 3 38.516 -36.730 2.960 1.00 60.54 O ATOM 7 C ASP 3 35.421 -34.591 1.284 1.00 60.54 C ATOM 8 O ASP 3 34.413 -34.068 0.813 1.00 60.54 O ATOM 9 N HIS 4 36.097 -35.562 0.645 1.00 92.42 N ATOM 10 CA HIS 4 35.617 -36.029 -0.618 1.00 92.42 C ATOM 11 ND1 HIS 4 37.209 -34.177 -2.964 1.00 92.42 N ATOM 12 CG HIS 4 37.525 -35.030 -1.931 1.00 92.42 C ATOM 13 CB HIS 4 36.755 -36.277 -1.621 1.00 92.42 C ATOM 14 NE2 HIS 4 38.983 -33.309 -1.941 1.00 92.42 N ATOM 15 CD2 HIS 4 38.611 -34.486 -1.316 1.00 92.42 C ATOM 16 CE1 HIS 4 38.113 -33.166 -2.925 1.00 92.42 C ATOM 17 C HIS 4 34.931 -37.336 -0.367 1.00 92.42 C ATOM 18 O HIS 4 35.558 -38.393 -0.370 1.00 92.42 O ATOM 19 N ASN 5 33.608 -37.283 -0.127 1.00 71.29 N ATOM 20 CA ASN 5 32.798 -38.436 0.150 1.00 71.29 C ATOM 21 CB ASN 5 31.413 -38.084 0.722 1.00 71.29 C ATOM 22 CG ASN 5 31.593 -37.787 2.206 1.00 71.29 C ATOM 23 OD1 ASN 5 31.126 -36.767 2.711 1.00 71.29 O ATOM 24 ND2 ASN 5 32.281 -38.715 2.925 1.00 71.29 N ATOM 25 C ASN 5 32.592 -39.300 -1.061 1.00 71.29 C ATOM 26 O ASN 5 32.399 -40.506 -0.905 1.00 71.29 O ATOM 27 N CYS 6 32.606 -38.713 -2.282 1.00 61.17 N ATOM 28 CA CYS 6 32.278 -39.437 -3.488 1.00 61.17 C ATOM 29 CB CYS 6 32.599 -38.669 -4.790 1.00 61.17 C ATOM 30 SG CYS 6 31.862 -37.008 -4.889 1.00 61.17 S ATOM 31 C CYS 6 33.095 -40.687 -3.537 1.00 61.17 C ATOM 32 O CYS 6 34.316 -40.637 -3.667 1.00 61.17 O ATOM 33 N GLU 7 32.424 -41.853 -3.415 1.00107.44 N ATOM 34 CA GLU 7 33.139 -43.092 -3.393 1.00107.44 C ATOM 35 CB GLU 7 32.281 -44.304 -2.994 1.00107.44 C ATOM 36 CG GLU 7 31.150 -44.615 -3.972 1.00107.44 C ATOM 37 CD GLU 7 30.439 -45.854 -3.447 1.00107.44 C ATOM 38 OE1 GLU 7 30.141 -45.887 -2.224 1.00107.44 O ATOM 39 OE2 GLU 7 30.201 -46.791 -4.255 1.00107.44 O ATOM 40 C GLU 7 33.735 -43.401 -4.725 1.00107.44 C ATOM 41 O GLU 7 34.913 -43.744 -4.804 1.00107.44 O ATOM 42 N GLN 8 32.937 -43.304 -5.808 1.00112.56 N ATOM 43 CA GLN 8 33.455 -43.723 -7.077 1.00112.56 C ATOM 44 CB GLN 8 32.370 -43.775 -8.164 1.00112.56 C ATOM 45 CG GLN 8 32.795 -44.568 -9.396 1.00112.56 C ATOM 46 CD GLN 8 32.503 -46.026 -9.080 1.00112.56 C ATOM 47 OE1 GLN 8 31.371 -46.484 -9.222 1.00112.56 O ATOM 48 NE2 GLN 8 33.542 -46.776 -8.624 1.00112.56 N ATOM 49 C GLN 8 34.511 -42.788 -7.579 1.00112.56 C ATOM 50 O GLN 8 35.650 -43.190 -7.806 1.00112.56 O ATOM 51 N LEU 9 34.168 -41.493 -7.726 1.00123.64 N ATOM 52 CA LEU 9 35.108 -40.558 -8.273 1.00123.64 C ATOM 53 CB LEU 9 35.285 -40.756 -9.795 1.00123.64 C ATOM 54 CG LEU 9 36.515 -40.099 -10.462 1.00123.64 C ATOM 55 CD1 LEU 9 36.532 -40.406 -11.968 1.00123.64 C ATOM 56 CD2 LEU 9 36.642 -38.597 -10.180 1.00123.64 C ATOM 57 C LEU 9 34.510 -39.215 -8.014 1.00123.64 C ATOM 58 O LEU 9 33.290 -39.055 -8.055 1.00123.64 O ATOM 59 N CYS 10 35.351 -38.208 -7.719 1.00 44.92 N ATOM 60 CA CYS 10 34.823 -36.918 -7.394 1.00 44.92 C ATOM 61 CB CYS 10 35.357 -36.391 -6.046 1.00 44.92 C ATOM 62 SG CYS 10 34.688 -34.761 -5.596 1.00 44.92 S ATOM 63 C CYS 10 35.206 -35.958 -8.476 1.00 44.92 C ATOM 64 O CYS 10 36.322 -35.995 -8.990 1.00 44.92 O ATOM 65 N VAL 11 34.258 -35.074 -8.857 1.00 40.68 N ATOM 66 CA VAL 11 34.504 -34.093 -9.874 1.00 40.68 C ATOM 67 CB VAL 11 33.406 -34.005 -10.892 1.00 40.68 C ATOM 68 CG1 VAL 11 33.705 -32.821 -11.827 1.00 40.68 C ATOM 69 CG2 VAL 11 33.272 -35.363 -11.599 1.00 40.68 C ATOM 70 C VAL 11 34.544 -32.764 -9.196 1.00 40.68 C ATOM 71 O VAL 11 33.694 -32.455 -8.363 1.00 40.68 O ATOM 72 N ASN 12 35.546 -31.933 -9.537 1.00117.73 N ATOM 73 CA ASN 12 35.631 -30.644 -8.919 1.00117.73 C ATOM 74 CB ASN 12 37.064 -30.175 -8.595 1.00117.73 C ATOM 75 CG ASN 12 36.996 -28.790 -7.944 1.00117.73 C ATOM 76 OD1 ASN 12 37.929 -27.993 -8.041 1.00117.73 O ATOM 77 ND2 ASN 12 35.865 -28.494 -7.251 1.00117.73 N ATOM 78 C ASN 12 35.093 -29.667 -9.896 1.00117.73 C ATOM 79 O ASN 12 35.546 -29.582 -11.036 1.00117.73 O ATOM 80 N VAL 13 34.069 -28.918 -9.466 1.00194.68 N ATOM 81 CA VAL 13 33.512 -27.900 -10.292 1.00194.68 C ATOM 82 CB VAL 13 32.065 -28.100 -10.628 1.00194.68 C ATOM 83 CG1 VAL 13 31.574 -26.861 -11.398 1.00194.68 C ATOM 84 CG2 VAL 13 31.916 -29.418 -11.406 1.00194.68 C ATOM 85 C VAL 13 33.587 -26.680 -9.454 1.00194.68 C ATOM 86 O VAL 13 33.650 -26.758 -8.228 1.00194.68 O ATOM 87 N PRO 14 33.633 -25.544 -10.063 1.00133.98 N ATOM 88 CA PRO 14 33.663 -24.382 -9.239 1.00133.98 C ATOM 89 CD PRO 14 34.370 -25.351 -11.297 1.00133.98 C ATOM 90 CB PRO 14 34.160 -23.234 -10.124 1.00133.98 C ATOM 91 CG PRO 14 34.229 -23.839 -11.542 1.00133.98 C ATOM 92 C PRO 14 32.313 -24.198 -8.631 1.00133.98 C ATOM 93 O PRO 14 31.318 -24.400 -9.324 1.00133.98 O ATOM 94 N GLY 15 32.261 -23.868 -7.329 1.00208.16 N ATOM 95 CA GLY 15 31.027 -23.589 -6.658 1.00208.16 C ATOM 96 C GLY 15 30.457 -24.850 -6.095 1.00208.16 C ATOM 97 O GLY 15 29.918 -24.848 -4.990 1.00208.16 O ATOM 98 N SER 16 30.574 -25.973 -6.830 1.00228.69 N ATOM 99 CA SER 16 29.995 -27.190 -6.339 1.00228.69 C ATOM 100 CB SER 16 28.505 -27.337 -6.688 1.00228.69 C ATOM 101 OG SER 16 27.747 -26.351 -6.003 1.00228.69 O ATOM 102 C SER 16 30.727 -28.319 -6.986 1.00228.69 C ATOM 103 O SER 16 31.469 -28.108 -7.942 1.00228.69 O ATOM 104 N PHE 17 30.555 -29.552 -6.464 1.00122.70 N ATOM 105 CA PHE 17 31.237 -30.678 -7.038 1.00122.70 C ATOM 106 CB PHE 17 32.267 -31.327 -6.091 1.00122.70 C ATOM 107 CG PHE 17 31.531 -31.978 -4.968 1.00122.70 C ATOM 108 CD1 PHE 17 31.192 -31.265 -3.842 1.00122.70 C ATOM 109 CD2 PHE 17 31.173 -33.304 -5.053 1.00122.70 C ATOM 110 CE1 PHE 17 30.512 -31.870 -2.811 1.00122.70 C ATOM 111 CE2 PHE 17 30.494 -33.914 -4.027 1.00122.70 C ATOM 112 CZ PHE 17 30.165 -33.195 -2.904 1.00122.70 C ATOM 113 C PHE 17 30.200 -31.713 -7.334 1.00122.70 C ATOM 114 O PHE 17 29.111 -31.691 -6.763 1.00122.70 O ATOM 115 N VAL 18 30.505 -32.639 -8.264 1.00 34.34 N ATOM 116 CA VAL 18 29.557 -33.670 -8.560 1.00 34.34 C ATOM 117 CB VAL 18 29.037 -33.615 -9.966 1.00 34.34 C ATOM 118 CG1 VAL 18 28.130 -34.834 -10.205 1.00 34.34 C ATOM 119 CG2 VAL 18 28.329 -32.263 -10.162 1.00 34.34 C ATOM 120 C VAL 18 30.241 -34.984 -8.381 1.00 34.34 C ATOM 121 O VAL 18 31.427 -35.128 -8.673 1.00 34.34 O ATOM 122 N CYS 19 29.499 -35.986 -7.871 1.00 43.11 N ATOM 123 CA CYS 19 30.086 -37.281 -7.700 1.00 43.11 C ATOM 124 CB CYS 19 29.528 -38.080 -6.506 1.00 43.11 C ATOM 125 SG CYS 19 29.856 -37.317 -4.890 1.00 43.11 S ATOM 126 C CYS 19 29.739 -38.054 -8.929 1.00 43.11 C ATOM 127 O CYS 19 28.614 -37.982 -9.419 1.00 43.11 O ATOM 128 N GLN 20 30.707 -38.809 -9.479 1.00 89.49 N ATOM 129 CA GLN 20 30.428 -39.563 -10.665 1.00 89.49 C ATOM 130 CB GLN 20 31.360 -39.210 -11.838 1.00 89.49 C ATOM 131 CG GLN 20 32.833 -39.521 -11.572 1.00 89.49 C ATOM 132 CD GLN 20 33.645 -38.973 -12.737 1.00 89.49 C ATOM 133 OE1 GLN 20 34.533 -38.142 -12.550 1.00 89.49 O ATOM 134 NE2 GLN 20 33.341 -39.453 -13.973 1.00 89.49 N ATOM 135 C GLN 20 30.596 -41.010 -10.330 1.00 89.49 C ATOM 136 O GLN 20 31.238 -41.358 -9.340 1.00 89.49 O ATOM 137 N CYS 21 29.987 -41.895 -11.145 1.00 43.88 N ATOM 138 CA CYS 21 30.061 -43.303 -10.876 1.00 43.88 C ATOM 139 CB CYS 21 28.675 -43.935 -10.634 1.00 43.88 C ATOM 140 SG CYS 21 27.836 -43.184 -9.206 1.00 43.88 S ATOM 141 C CYS 21 30.678 -43.977 -12.064 1.00 43.88 C ATOM 142 O CYS 21 30.862 -43.363 -13.113 1.00 43.88 O ATOM 143 N TYR 22 31.042 -45.267 -11.902 1.00104.06 N ATOM 144 CA TYR 22 31.611 -46.072 -12.949 1.00104.06 C ATOM 145 CB TYR 22 32.342 -47.325 -12.413 1.00104.06 C ATOM 146 CG TYR 22 33.078 -48.011 -13.515 1.00104.06 C ATOM 147 CD1 TYR 22 34.243 -47.468 -14.007 1.00104.06 C ATOM 148 CD2 TYR 22 32.628 -49.205 -14.032 1.00104.06 C ATOM 149 CE1 TYR 22 34.939 -48.091 -15.015 1.00104.06 C ATOM 150 CE2 TYR 22 33.322 -49.832 -15.040 1.00104.06 C ATOM 151 CZ TYR 22 34.475 -49.274 -15.538 1.00104.06 C ATOM 152 OH TYR 22 35.182 -49.920 -16.574 1.00104.06 O ATOM 153 C TYR 22 30.450 -46.501 -13.789 1.00104.06 C ATOM 154 O TYR 22 29.361 -46.722 -13.261 1.00104.06 O ATOM 155 N SER 23 30.644 -46.604 -15.122 1.00 79.15 N ATOM 156 CA SER 23 29.557 -46.907 -16.010 1.00 79.15 C ATOM 157 CB SER 23 29.972 -47.121 -17.479 1.00 79.15 C ATOM 158 OG SER 23 30.791 -48.274 -17.604 1.00 79.15 O ATOM 159 C SER 23 28.877 -48.147 -15.547 1.00 79.15 C ATOM 160 O SER 23 29.510 -49.070 -15.038 1.00 79.15 O ATOM 161 N GLY 24 27.541 -48.168 -15.712 1.00 18.04 N ATOM 162 CA GLY 24 26.748 -49.277 -15.278 1.00 18.04 C ATOM 163 C GLY 24 26.279 -48.987 -13.886 1.00 18.04 C ATOM 164 O GLY 24 25.561 -49.787 -13.289 1.00 18.04 O ATOM 165 N TYR 25 26.662 -47.815 -13.335 1.00 94.43 N ATOM 166 CA TYR 25 26.290 -47.469 -11.990 1.00 94.43 C ATOM 167 CB TYR 25 27.484 -47.143 -11.069 1.00 94.43 C ATOM 168 CG TYR 25 28.184 -48.412 -10.736 1.00 94.43 C ATOM 169 CD1 TYR 25 28.907 -49.081 -11.692 1.00 94.43 C ATOM 170 CD2 TYR 25 28.128 -48.922 -9.459 1.00 94.43 C ATOM 171 CE1 TYR 25 29.554 -50.253 -11.384 1.00 94.43 C ATOM 172 CE2 TYR 25 28.774 -50.093 -9.143 1.00 94.43 C ATOM 173 CZ TYR 25 29.488 -50.758 -10.110 1.00 94.43 C ATOM 174 OH TYR 25 30.152 -51.960 -9.794 1.00 94.43 O ATOM 175 C TYR 25 25.456 -46.231 -12.016 1.00 94.43 C ATOM 176 O TYR 25 25.705 -45.309 -12.792 1.00 94.43 O ATOM 177 N ALA 26 24.424 -46.195 -11.149 1.00 32.19 N ATOM 178 CA ALA 26 23.585 -45.039 -11.053 1.00 32.19 C ATOM 179 CB ALA 26 22.093 -45.318 -11.297 1.00 32.19 C ATOM 180 C ALA 26 23.713 -44.526 -9.660 1.00 32.19 C ATOM 181 O ALA 26 24.005 -45.283 -8.736 1.00 32.19 O ATOM 182 N LEU 27 23.511 -43.207 -9.484 1.00 79.47 N ATOM 183 CA LEU 27 23.668 -42.601 -8.198 1.00 79.47 C ATOM 184 CB LEU 27 23.668 -41.068 -8.246 1.00 79.47 C ATOM 185 CG LEU 27 24.864 -40.494 -9.025 1.00 79.47 C ATOM 186 CD1 LEU 27 24.786 -40.869 -10.515 1.00 79.47 C ATOM 187 CD2 LEU 27 25.025 -38.983 -8.783 1.00 79.47 C ATOM 188 C LEU 27 22.544 -43.014 -7.313 1.00 79.47 C ATOM 189 O LEU 27 21.423 -43.252 -7.760 1.00 79.47 O ATOM 190 N ALA 28 22.861 -43.129 -6.008 1.00 46.45 N ATOM 191 CA ALA 28 21.922 -43.458 -4.979 1.00 46.45 C ATOM 192 CB ALA 28 22.570 -44.042 -3.711 1.00 46.45 C ATOM 193 C ALA 28 21.258 -42.181 -4.605 1.00 46.45 C ATOM 194 O ALA 28 21.534 -41.131 -5.182 1.00 46.45 O ATOM 195 N GLU 29 20.328 -42.243 -3.638 1.00149.65 N ATOM 196 CA GLU 29 19.634 -41.052 -3.257 1.00149.65 C ATOM 197 CB GLU 29 18.636 -41.299 -2.114 1.00149.65 C ATOM 198 CG GLU 29 17.710 -40.114 -1.829 1.00149.65 C ATOM 199 CD GLU 29 16.645 -40.583 -0.848 1.00149.65 C ATOM 200 OE1 GLU 29 16.809 -41.701 -0.292 1.00149.65 O ATOM 201 OE2 GLU 29 15.647 -39.837 -0.655 1.00149.65 O ATOM 202 C GLU 29 20.651 -40.063 -2.786 1.00149.65 C ATOM 203 O GLU 29 20.602 -38.892 -3.160 1.00149.65 O ATOM 204 N ASP 30 21.623 -40.524 -1.975 1.00 98.71 N ATOM 205 CA ASP 30 22.629 -39.634 -1.473 1.00 98.71 C ATOM 206 CB ASP 30 23.618 -40.326 -0.509 1.00 98.71 C ATOM 207 CG ASP 30 24.370 -41.439 -1.236 1.00 98.71 C ATOM 208 OD1 ASP 30 23.766 -42.103 -2.121 1.00 98.71 O ATOM 209 OD2 ASP 30 25.564 -41.650 -0.894 1.00 98.71 O ATOM 210 C ASP 30 23.392 -39.069 -2.630 1.00 98.71 C ATOM 211 O ASP 30 23.648 -37.866 -2.689 1.00 98.71 O ATOM 212 N GLY 31 23.769 -39.928 -3.590 1.00142.33 N ATOM 213 CA GLY 31 24.461 -39.455 -4.747 1.00142.33 C ATOM 214 C GLY 31 25.919 -39.553 -4.469 1.00142.33 C ATOM 215 O GLY 31 26.726 -39.649 -5.389 1.00142.33 O ATOM 216 N LYS 32 26.289 -39.519 -3.180 1.00239.03 N ATOM 217 CA LYS 32 27.649 -39.659 -2.766 1.00239.03 C ATOM 218 CB LYS 32 27.838 -39.329 -1.274 1.00239.03 C ATOM 219 CG LYS 32 27.840 -37.820 -1.002 1.00239.03 C ATOM 220 CD LYS 32 27.579 -37.433 0.455 1.00239.03 C ATOM 221 CE LYS 32 27.777 -35.940 0.731 1.00239.03 C ATOM 222 NZ LYS 32 27.043 -35.134 -0.270 1.00239.03 N ATOM 223 C LYS 32 28.058 -41.070 -3.039 1.00239.03 C ATOM 224 O LYS 32 29.233 -41.355 -3.267 1.00239.03 O ATOM 225 N ARG 33 27.086 -42.000 -3.000 1.00140.12 N ATOM 226 CA ARG 33 27.376 -43.387 -3.207 1.00140.12 C ATOM 227 CB ARG 33 26.683 -44.312 -2.202 1.00140.12 C ATOM 228 CG ARG 33 27.018 -43.996 -0.749 1.00140.12 C ATOM 229 CD ARG 33 28.449 -44.344 -0.350 1.00140.12 C ATOM 230 NE ARG 33 28.543 -44.087 1.112 1.00140.12 N ATOM 231 CZ ARG 33 28.115 -45.049 1.977 1.00140.12 C ATOM 232 NH1 ARG 33 27.653 -46.235 1.485 1.00140.12 N ATOM 233 NH2 ARG 33 28.132 -44.823 3.323 1.00140.12 N ATOM 234 C ARG 33 26.824 -43.763 -4.537 1.00140.12 C ATOM 235 O ARG 33 26.043 -43.023 -5.132 1.00140.12 O ATOM 236 N CYS 34 27.250 -44.933 -5.048 1.00 37.63 N ATOM 237 CA CYS 34 26.769 -45.377 -6.318 1.00 37.63 C ATOM 238 CB CYS 34 27.902 -45.557 -7.338 1.00 37.63 C ATOM 239 SG CYS 34 28.791 -43.999 -7.613 1.00 37.63 S ATOM 240 C CYS 34 26.142 -46.714 -6.109 1.00 37.63 C ATOM 241 O CYS 34 26.627 -47.523 -5.318 1.00 37.63 O ATOM 242 N VAL 35 25.017 -46.974 -6.800 1.00 88.40 N ATOM 243 CA VAL 35 24.424 -48.269 -6.679 1.00 88.40 C ATOM 244 CB VAL 35 23.019 -48.266 -6.143 1.00 88.40 C ATOM 245 CG1 VAL 35 23.040 -47.724 -4.703 1.00 88.40 C ATOM 246 CG2 VAL 35 22.117 -47.481 -7.112 1.00 88.40 C ATOM 247 C VAL 35 24.379 -48.845 -8.053 1.00 88.40 C ATOM 248 O VAL 35 24.027 -48.162 -9.013 1.00 88.40 O ATOM 249 N ALA 36 24.754 -50.130 -8.181 1.00 11.06 N ATOM 250 CA ALA 36 24.752 -50.759 -9.467 1.00 11.06 C ATOM 251 CB ALA 36 25.740 -51.933 -9.571 1.00 11.06 C ATOM 252 C ALA 36 23.353 -51.316 -9.702 1.00 11.06 C ATOM 253 O ALA 36 22.714 -50.908 -10.708 1.00 11.06 O ATOM 254 OXT ALA 36 22.906 -52.159 -8.878 1.00 11.06 O