EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/03/07 00:51:34 REMARK 6 MODELLER OBJECTIVE FUNCTION: -2165.5598 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 27.027 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -2165.55981 REMARK 6 GA341 score: 0.71989 REMARK 6 Normalized DOPE score: -0.52428 REMARK 6 TEMPLATE: 2w86A01 ATOM 1 N ARG 5 19.225 38.252 47.886 0.50155.05 N ATOM 2 CA ARG 5 19.623 37.971 49.284 0.50155.05 C ATOM 3 CB ARG 5 18.702 38.729 50.258 0.50155.05 C ATOM 4 CG ARG 5 19.098 38.610 51.734 1.00155.05 C ATOM 5 CD ARG 5 20.345 39.404 52.137 1.00155.05 C ATOM 6 NE ARG 5 21.548 38.698 51.616 1.00155.05 N ATOM 7 CZ ARG 5 22.785 39.105 52.023 1.00155.05 C ATOM 8 NH1 ARG 5 22.902 40.143 52.899 1.00155.05 N ATOM 9 NH2 ARG 5 23.907 38.489 51.551 1.00155.05 N ATOM 10 C ARG 5 19.544 36.502 49.569 0.50155.05 C ATOM 11 O ARG 5 20.382 35.721 49.120 0.50155.05 O ATOM 12 N HIS 6 18.510 36.088 50.327 1.00190.56 N ATOM 13 CA HIS 6 18.372 34.706 50.685 1.00190.56 C ATOM 14 ND1 HIS 6 18.478 36.280 53.494 1.00190.56 N ATOM 15 CG HIS 6 18.122 34.977 53.226 1.00190.56 C ATOM 16 CB HIS 6 17.514 34.496 51.942 1.00190.56 C ATOM 17 NE2 HIS 6 18.905 35.113 55.338 1.00190.56 N ATOM 18 CD2 HIS 6 18.393 34.278 54.361 1.00190.56 C ATOM 19 CE1 HIS 6 18.939 36.305 54.771 1.00190.56 C ATOM 20 C HIS 6 17.652 33.991 49.586 1.00190.56 C ATOM 21 O HIS 6 16.495 33.601 49.741 1.00190.56 O ATOM 22 N LEU 7 18.329 33.807 48.437 1.00108.33 N ATOM 23 CA LEU 7 17.745 33.093 47.342 1.00108.33 C ATOM 24 CB LEU 7 18.534 33.185 46.019 1.00108.33 C ATOM 25 CG LEU 7 18.507 34.581 45.361 1.00108.33 C ATOM 26 CD1 LEU 7 19.254 35.632 46.197 1.00108.33 C ATOM 27 CD2 LEU 7 18.991 34.515 43.902 1.00108.33 C ATOM 28 C LEU 7 17.623 31.642 47.696 1.00108.33 C ATOM 29 O LEU 7 16.644 30.989 47.339 1.00108.33 O ATOM 30 N CYS 8 18.613 31.094 48.426 1.00 54.14 N ATOM 31 CA CYS 8 18.636 29.674 48.644 1.00 54.14 C ATOM 32 CB CYS 8 20.054 29.168 48.949 1.00 54.14 C ATOM 33 SG CYS 8 21.213 29.616 47.622 1.00 54.14 S ATOM 34 C CYS 8 17.748 29.305 49.788 1.00 54.14 C ATOM 35 O CYS 8 18.136 29.405 50.950 1.00 54.14 O ATOM 36 N ALA 9 16.521 28.834 49.483 1.00 43.19 N ATOM 37 CA ALA 9 15.638 28.475 50.552 1.00 43.19 C ATOM 38 CB ALA 9 14.164 28.356 50.136 1.00 43.19 C ATOM 39 C ALA 9 16.055 27.160 51.133 1.00 43.19 C ATOM 40 O ALA 9 16.390 26.211 50.422 1.00 43.19 O ATOM 41 N HIS 10 16.027 27.087 52.476 1.00 82.44 N ATOM 42 CA HIS 10 16.340 25.885 53.186 1.00 82.44 C ATOM 43 ND1 HIS 10 13.140 26.051 52.847 1.00 82.44 N ATOM 44 CG HIS 10 13.958 25.092 53.405 1.00 82.44 C ATOM 45 CB HIS 10 15.331 24.758 52.905 1.00 82.44 C ATOM 46 NE2 HIS 10 12.024 25.187 54.566 1.00 82.44 N ATOM 47 CD2 HIS 10 13.260 24.573 54.452 1.00 82.44 C ATOM 48 CE1 HIS 10 11.998 26.067 53.582 1.00 82.44 C ATOM 49 C HIS 10 17.703 25.422 52.786 1.00 82.44 C ATOM 50 O HIS 10 17.972 24.221 52.787 1.00 82.44 O ATOM 51 N GLY 11 18.616 26.372 52.481 1.00 26.00 N ATOM 52 CA GLY 11 19.938 25.992 52.072 1.00 26.00 C ATOM 53 C GLY 11 20.891 27.103 52.387 1.00 26.00 C ATOM 54 O GLY 11 20.503 28.154 52.895 1.00 26.00 O ATOM 55 N GLN 12 22.191 26.874 52.103 0.50 81.73 N ATOM 56 CA GLN 12 23.189 27.884 52.316 0.50 81.73 C ATOM 57 CB GLN 12 24.469 27.377 53.010 0.50 81.73 C ATOM 58 CG GLN 12 25.282 26.375 52.184 1.00 81.73 C ATOM 59 CD GLN 12 26.521 25.988 52.984 1.00 81.73 C ATOM 60 OE1 GLN 12 27.023 26.772 53.789 1.00 81.73 O ATOM 61 NE2 GLN 12 27.032 24.748 52.754 1.00 81.73 N ATOM 62 C GLN 12 23.594 28.377 50.965 0.50 81.73 C ATOM 63 O GLN 12 23.741 27.594 50.028 0.50 81.73 O ATOM 64 N CYS 13 23.779 29.703 50.821 1.00 86.98 N ATOM 65 CA CYS 13 24.122 30.196 49.520 1.00 86.98 C ATOM 66 CB CYS 13 23.286 31.397 49.043 1.00 86.98 C ATOM 67 SG CYS 13 23.802 32.966 49.798 1.00 86.98 S ATOM 68 C CYS 13 25.535 30.663 49.541 1.00 86.98 C ATOM 69 O CYS 13 26.002 31.246 50.517 1.00 86.98 O ATOM 70 N ARG 14 26.267 30.395 48.444 1.00128.78 N ATOM 71 CA ARG 14 27.608 30.886 48.359 1.00128.78 C ATOM 72 CB ARG 14 28.683 29.789 48.383 1.00128.78 C ATOM 73 CG ARG 14 28.816 29.132 49.756 1.00128.78 C ATOM 74 CD ARG 14 29.687 27.875 49.760 1.00128.78 C ATOM 75 NE ARG 14 31.112 28.304 49.750 1.00128.78 N ATOM 76 CZ ARG 14 32.096 27.363 49.646 1.00128.78 C ATOM 77 NH1 ARG 14 31.772 26.040 49.545 1.00128.78 N ATOM 78 NH2 ARG 14 33.407 27.743 49.626 1.00128.78 N ATOM 79 C ARG 14 27.718 31.620 47.063 1.00128.78 C ATOM 80 O ARG 14 27.122 31.225 46.063 1.00128.78 O ATOM 81 N ASN 15 28.471 32.736 47.053 1.00 39.31 N ATOM 82 CA ASN 15 28.622 33.500 45.849 1.00 39.31 C ATOM 83 CB ASN 15 29.086 34.944 46.112 1.00 39.31 C ATOM 84 CG ASN 15 28.871 35.754 44.845 1.00 39.31 C ATOM 85 OD1 ASN 15 29.463 35.478 43.803 1.00 39.31 O ATOM 86 ND2 ASN 15 27.987 36.784 44.932 1.00 39.31 N ATOM 87 C ASN 15 29.656 32.808 45.018 1.00 39.31 C ATOM 88 O ASN 15 30.598 32.229 45.555 1.00 39.31 O ATOM 89 N THR 16 29.491 32.820 43.680 1.00100.49 N ATOM 90 CA THR 16 30.450 32.165 42.838 1.00100.49 C ATOM 91 CB THR 16 30.032 30.792 42.378 1.00100.49 C ATOM 92 OG1 THR 16 31.128 30.127 41.768 1.00100.49 O ATOM 93 CG2 THR 16 28.854 30.911 41.395 1.00100.49 C ATOM 94 C THR 16 30.652 33.021 41.638 1.00100.49 C ATOM 95 O THR 16 29.973 34.028 41.455 1.00100.49 O ATOM 96 N GLU 17 31.643 32.669 40.800 1.00 76.31 N ATOM 97 CA GLU 17 31.849 33.477 39.640 1.00 76.31 C ATOM 98 CB GLU 17 33.217 33.247 38.975 1.00 76.31 C ATOM 99 CG GLU 17 33.461 34.097 37.725 1.00 76.31 C ATOM 100 CD GLU 17 34.854 33.758 37.221 1.00 76.31 C ATOM 101 OE1 GLU 17 35.226 32.558 37.314 1.00 76.31 O ATOM 102 OE2 GLU 17 35.566 34.690 36.758 1.00 76.31 O ATOM 103 C GLU 17 30.785 33.134 38.653 1.00 76.31 C ATOM 104 O GLU 17 30.573 31.965 38.333 1.00 76.31 O ATOM 105 N GLY 18 30.083 34.167 38.152 1.00 24.49 N ATOM 106 CA GLY 18 29.088 33.975 37.141 1.00 24.49 C ATOM 107 C GLY 18 27.755 33.702 37.767 1.00 24.49 C ATOM 108 O GLY 18 26.744 33.682 37.068 1.00 24.49 O ATOM 109 N SER 19 27.694 33.474 39.094 1.00 87.68 N ATOM 110 CA SER 19 26.398 33.202 39.652 1.00 87.68 C ATOM 111 CB SER 19 25.711 31.968 39.047 1.00 87.68 C ATOM 112 OG SER 19 26.383 30.785 39.456 1.00 87.68 O ATOM 113 C SER 19 26.557 32.939 41.113 1.00 87.68 C ATOM 114 O SER 19 27.558 33.307 41.718 1.00 87.68 O ATOM 115 N PHE 20 25.524 32.331 41.730 1.00 57.44 N ATOM 116 CA PHE 20 25.610 31.951 43.108 1.00 57.44 C ATOM 117 CB PHE 20 24.716 32.790 44.045 1.00 57.44 C ATOM 118 CG PHE 20 23.296 32.619 43.630 1.00 57.44 C ATOM 119 CD1 PHE 20 22.527 31.605 44.154 1.00 57.44 C ATOM 120 CD2 PHE 20 22.736 33.476 42.710 1.00 57.44 C ATOM 121 CE1 PHE 20 21.215 31.452 43.771 1.00 57.44 C ATOM 122 CE2 PHE 20 21.426 33.328 42.323 1.00 57.44 C ATOM 123 CZ PHE 20 20.665 32.312 42.848 1.00 57.44 C ATOM 124 C PHE 20 25.209 30.507 43.176 1.00 57.44 C ATOM 125 O PHE 20 24.574 29.987 42.257 1.00 57.44 O ATOM 126 N GLN 21 25.612 29.802 44.252 1.00 84.91 N ATOM 127 CA GLN 21 25.284 28.411 44.315 1.00 84.91 C ATOM 128 CB GLN 21 26.521 27.504 44.279 1.00 84.91 C ATOM 129 CG GLN 21 27.264 27.562 42.943 1.00 84.91 C ATOM 130 CD GLN 21 26.384 26.896 41.889 1.00 84.91 C ATOM 131 OE1 GLN 21 26.714 26.891 40.704 1.00 84.91 O ATOM 132 NE2 GLN 21 25.230 26.326 42.328 1.00 84.91 N ATOM 133 C GLN 21 24.572 28.150 45.597 1.00 84.91 C ATOM 134 O GLN 21 24.831 28.795 46.612 1.00 84.91 O ATOM 135 N CYS 22 23.625 27.193 45.567 1.00 39.01 N ATOM 136 CA CYS 22 22.929 26.856 46.769 1.00 39.01 C ATOM 137 CB CYS 22 21.403 26.778 46.584 1.00 39.01 C ATOM 138 SG CYS 22 20.693 28.379 46.097 1.00 39.01 S ATOM 139 C CYS 22 23.421 25.501 47.162 1.00 39.01 C ATOM 140 O CYS 22 23.588 24.631 46.312 1.00 39.01 O ATOM 141 N VAL 23 23.707 25.293 48.463 1.00 38.35 N ATOM 142 CA VAL 23 24.159 24.005 48.913 1.00 38.35 C ATOM 143 CB VAL 23 25.503 24.028 49.587 1.00 38.35 C ATOM 144 CG1 VAL 23 25.840 22.613 50.104 1.00 38.35 C ATOM 145 CG2 VAL 23 26.525 24.603 48.595 1.00 38.35 C ATOM 146 C VAL 23 23.194 23.559 49.957 1.00 38.35 C ATOM 147 O VAL 23 22.716 24.364 50.754 1.00 38.35 O ATOM 148 N CYS 24 22.866 22.255 50.000 1.00 67.80 N ATOM 149 CA CYS 24 21.929 21.918 51.024 1.00 67.80 C ATOM 150 CB CYS 24 20.574 21.469 50.485 1.00 67.80 C ATOM 151 SG CYS 24 19.996 22.551 49.146 1.00 67.80 S ATOM 152 C CYS 24 22.527 20.864 51.900 1.00 67.80 C ATOM 153 O CYS 24 23.464 20.163 51.516 1.00 67.80 O ATOM 154 N ASP 25 22.005 20.773 53.138 1.00107.19 N ATOM 155 CA ASP 25 22.491 19.872 54.142 1.00107.19 C ATOM 156 CB ASP 25 21.895 20.197 55.526 1.00107.19 C ATOM 157 CG ASP 25 22.848 19.727 56.617 1.00107.19 C ATOM 158 OD1 ASP 25 23.567 18.720 56.379 1.00107.19 O ATOM 159 OD2 ASP 25 22.877 20.378 57.698 1.00107.19 O ATOM 160 C ASP 25 21.996 18.534 53.737 1.00107.19 C ATOM 161 O ASP 25 20.955 18.453 53.095 1.00107.19 O ATOM 162 N GLN 26 22.699 17.454 54.137 1.00287.76 N ATOM 163 CA GLN 26 22.304 16.147 53.710 1.00287.76 C ATOM 164 CB GLN 26 23.169 14.997 54.247 1.00287.76 C ATOM 165 CG GLN 26 22.920 13.687 53.489 1.00287.76 C ATOM 166 CD GLN 26 23.416 13.880 52.062 1.00287.76 C ATOM 167 OE1 GLN 26 23.729 14.997 51.651 1.00287.76 O ATOM 168 NE2 GLN 26 23.471 12.767 51.280 1.00287.76 N ATOM 169 C GLN 26 20.900 15.945 54.157 1.00287.76 C ATOM 170 O GLN 26 20.447 16.543 55.131 1.00287.76 O ATOM 171 N GLY 27 20.152 15.125 53.405 1.00239.67 N ATOM 172 CA GLY 27 18.769 14.973 53.731 1.00239.67 C ATOM 173 C GLY 27 18.030 16.004 52.948 1.00239.67 C ATOM 174 O GLY 27 16.850 16.265 53.188 1.00239.67 O ATOM 175 N TYR 28 18.735 16.587 51.960 1.00251.40 N ATOM 176 CA TYR 28 18.233 17.641 51.131 1.00251.40 C ATOM 177 CB TYR 28 19.160 18.890 51.065 1.00251.40 C ATOM 178 CG TYR 28 20.312 18.563 50.128 1.00251.40 C ATOM 179 CD1 TYR 28 21.271 17.659 50.520 1.00251.40 C ATOM 180 CD2 TYR 28 20.425 19.067 48.837 1.00251.40 C ATOM 181 CE1 TYR 28 22.323 17.302 49.715 1.00251.40 C ATOM 182 CE2 TYR 28 21.472 18.722 48.016 1.00251.40 C ATOM 183 CZ TYR 28 22.424 17.837 48.456 1.00251.40 C ATOM 184 OH TYR 28 23.496 17.477 47.616 1.00251.40 O ATOM 185 C TYR 28 18.410 17.189 49.735 1.00251.40 C ATOM 186 O TYR 28 19.125 16.233 49.454 1.00251.40 O ATOM 187 N ARG 29 17.753 17.907 48.812 1.00159.74 N ATOM 188 CA ARG 29 18.152 17.781 47.449 1.00159.74 C ATOM 189 CB ARG 29 17.611 16.581 46.658 1.00159.74 C ATOM 190 CG ARG 29 18.243 16.635 45.269 1.00159.74 C ATOM 191 CD ARG 29 18.175 15.371 44.418 1.00159.74 C ATOM 192 NE ARG 29 18.962 15.700 43.197 1.00159.74 N ATOM 193 CZ ARG 29 18.759 15.035 42.024 1.00159.74 C ATOM 194 NH1 ARG 29 17.860 14.010 41.974 1.00159.74 N ATOM 195 NH2 ARG 29 19.443 15.400 40.898 1.00159.74 N ATOM 196 C ARG 29 17.724 19.027 46.752 1.00159.74 C ATOM 197 O ARG 29 16.644 19.558 47.005 1.00159.74 O ATOM 198 N ALA 30 18.578 19.524 45.842 1.00 34.33 N ATOM 199 CA ALA 30 18.278 20.743 45.150 1.00 34.33 C ATOM 200 CB ALA 30 19.448 21.282 44.310 1.00 34.33 C ATOM 201 C ALA 30 17.142 20.497 44.213 1.00 34.33 C ATOM 202 O ALA 30 16.963 19.392 43.703 1.00 34.33 O ATOM 203 N SER 31 16.333 21.546 43.979 1.00 32.71 N ATOM 204 CA SER 31 15.218 21.487 43.080 1.00 32.71 C ATOM 205 CB SER 31 14.186 22.593 43.345 1.00 32.71 C ATOM 206 OG SER 31 14.791 23.859 43.130 1.00 32.71 O ATOM 207 C SER 31 15.769 21.693 41.706 1.00 32.71 C ATOM 208 O SER 31 16.975 21.857 41.533 1.00 32.71 O ATOM 209 N GLY 32 14.891 21.686 40.685 1.00 13.86 N ATOM 210 CA GLY 32 15.342 21.830 39.332 1.00 13.86 C ATOM 211 C GLY 32 16.006 23.158 39.178 1.00 13.86 C ATOM 212 O GLY 32 17.029 23.267 38.505 1.00 13.86 O ATOM 213 N LEU 33 15.426 24.214 39.783 1.00 82.92 N ATOM 214 CA LEU 33 15.991 25.528 39.657 1.00 82.92 C ATOM 215 CB LEU 33 15.092 26.624 40.275 1.00 82.92 C ATOM 216 CG LEU 33 15.482 28.088 39.946 1.00 82.92 C ATOM 217 CD1 LEU 33 14.510 29.073 40.614 1.00 82.92 C ATOM 218 CD2 LEU 33 16.947 28.417 40.276 1.00 82.92 C ATOM 219 C LEU 33 17.321 25.491 40.343 1.00 82.92 C ATOM 220 O LEU 33 18.295 26.077 39.875 1.00 82.92 O ATOM 221 N GLY 34 17.418 24.753 41.464 1.00 32.89 N ATOM 222 CA GLY 34 18.678 24.712 42.150 1.00 32.89 C ATOM 223 C GLY 34 18.695 25.856 43.107 1.00 32.89 C ATOM 224 O GLY 34 19.749 26.352 43.503 1.00 32.89 O ATOM 225 N ASP 35 17.499 26.325 43.494 1.00132.07 N ATOM 226 CA ASP 35 17.442 27.432 44.393 1.00132.07 C ATOM 227 CB ASP 35 16.597 28.575 43.807 1.00132.07 C ATOM 228 CG ASP 35 16.806 29.797 44.682 1.00132.07 C ATOM 229 OD1 ASP 35 17.817 29.787 45.430 1.00132.07 O ATOM 230 OD2 ASP 35 15.989 30.756 44.622 1.00132.07 O ATOM 231 C ASP 35 16.749 26.989 45.644 1.00132.07 C ATOM 232 O ASP 35 16.671 27.744 46.611 1.00132.07 O ATOM 233 N HIS 36 16.226 25.746 45.670 1.00115.01 N ATOM 234 CA HIS 36 15.506 25.324 46.840 1.00115.01 C ATOM 235 ND1 HIS 36 12.839 25.605 48.856 1.00115.01 N ATOM 236 CG HIS 36 13.257 24.758 47.854 1.00115.01 C ATOM 237 CB HIS 36 13.989 25.200 46.624 1.00115.01 C ATOM 238 NE2 HIS 36 12.192 23.558 49.439 1.00115.01 N ATOM 239 CD2 HIS 36 12.856 23.513 48.227 1.00115.01 C ATOM 240 CE1 HIS 36 12.208 24.835 49.777 1.00115.01 C ATOM 241 C HIS 36 15.999 23.987 47.278 1.00115.01 C ATOM 242 O HIS 36 16.296 23.115 46.463 1.00115.01 O ATOM 243 N CYS 37 16.078 23.805 48.612 1.00 48.88 N ATOM 244 CA CYS 37 16.550 22.587 49.201 1.00 48.88 C ATOM 245 CB CYS 37 17.351 22.854 50.486 1.00 48.88 C ATOM 246 SG CYS 37 18.805 23.865 50.111 1.00 48.88 S ATOM 247 C CYS 37 15.352 21.778 49.568 1.00 48.88 C ATOM 248 O CYS 37 14.656 22.077 50.537 1.00 48.88 O ATOM 249 N GLU 38 15.095 20.720 48.777 1.00108.89 N ATOM 250 CA GLU 38 13.983 19.834 48.967 1.00108.89 C ATOM 251 CB GLU 38 13.842 18.833 47.802 1.00108.89 C ATOM 252 CG GLU 38 12.424 18.301 47.590 1.00108.89 C ATOM 253 CD GLU 38 11.678 19.370 46.797 1.00108.89 C ATOM 254 OE1 GLU 38 11.333 20.415 47.412 1.00108.89 O ATOM 255 OE2 GLU 38 11.467 19.165 45.571 1.00108.89 O ATOM 256 C GLU 38 14.265 19.042 50.203 1.00108.89 C ATOM 257 O GLU 38 15.404 18.662 50.456 1.00108.89 O ATOM 258 N ASP 39 13.226 18.769 51.012 0.50108.73 N ATOM 259 CA ASP 39 13.435 18.038 52.226 0.50108.73 C ATOM 260 CB ASP 39 12.454 18.454 53.337 0.50108.73 C ATOM 261 CG ASP 39 12.867 17.744 54.613 0.50108.73 C ATOM 262 OD1 ASP 39 13.911 17.042 54.575 1.00108.73 O ATOM 263 OD2 ASP 39 12.162 17.896 55.645 1.00108.73 O ATOM 264 C ASP 39 13.184 16.588 51.968 0.50108.73 C ATOM 265 O ASP 39 12.083 16.094 52.196 0.50108.73 O ATOM 266 N ILE 40 14.197 15.859 51.466 1.00 43.82 N ATOM 267 CA ILE 40 14.020 14.453 51.257 1.00 43.82 C ATOM 268 CB ILE 40 15.128 13.816 50.478 1.00 43.82 C ATOM 269 CG1 ILE 40 15.158 14.421 49.067 1.00 43.82 C ATOM 270 CG2 ILE 40 14.919 12.292 50.477 1.00 43.82 C ATOM 271 CD1 ILE 40 16.347 13.952 48.234 1.00 43.82 C ATOM 272 C ILE 40 13.918 13.799 52.594 1.00 43.82 C ATOM 273 O ILE 40 13.077 12.928 52.812 1.00 43.82 O ATOM 274 N ASN 41 14.777 14.231 53.537 1.00 64.62 N ATOM 275 CA ASN 41 14.788 13.678 54.857 1.00 64.62 C ATOM 276 CB ASN 41 13.460 13.882 55.606 1.00 64.62 C ATOM 277 CG ASN 41 13.713 13.607 57.079 1.00 64.62 C ATOM 278 OD1 ASN 41 14.808 13.205 57.470 1.00 64.62 O ATOM 279 ND2 ASN 41 12.668 13.824 57.922 1.00 64.62 N ATOM 280 C ASN 41 15.080 12.184 54.745 1.00 64.62 C ATOM 281 O ASN 41 16.286 11.825 54.678 1.00 64.62 O ATOM 282 OXT ASN 41 14.109 11.382 54.734 1.00 64.62 O