EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:18:00 REMARK 6 MODELLER OBJECTIVE FUNCTION: 89.7033 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 65.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1132.42102 REMARK 6 GA341 score: 0.98740 REMARK 6 Normalized DOPE score: -2.24323 REMARK 6 TEMPLATE: 2i13A02 75:A - 94:A MODELS 1: - 20: AT 65.0% ATOM 1 N GLU 195 -4.549 15.284 57.119 1.00 62.38 N ATOM 2 CA GLU 195 -3.373 16.112 56.772 1.00 62.38 C ATOM 3 CB GLU 195 -2.873 15.745 55.367 1.00 62.38 C ATOM 4 CG GLU 195 -3.920 15.932 54.269 1.00 62.38 C ATOM 5 CD GLU 195 -3.347 15.369 52.978 1.00 62.38 C ATOM 6 OE1 GLU 195 -2.137 15.598 52.718 1.00 62.38 O ATOM 7 OE2 GLU 195 -4.115 14.695 52.239 1.00 62.38 O ATOM 8 C GLU 195 -3.676 17.574 56.835 1.00 62.38 C ATOM 9 O GLU 195 -4.167 18.071 57.846 1.00 62.38 O ATOM 10 N LYS 196 -3.369 18.310 55.748 1.00102.54 N ATOM 11 CA LYS 196 -3.568 19.734 55.734 1.00102.54 C ATOM 12 CB LYS 196 -2.263 20.448 55.360 1.00102.54 C ATOM 13 CG LYS 196 -1.589 19.761 54.169 1.00102.54 C ATOM 14 CD LYS 196 -0.289 20.401 53.693 1.00102.54 C ATOM 15 CE LYS 196 0.405 19.578 52.608 1.00102.54 C ATOM 16 NZ LYS 196 1.740 20.143 52.321 1.00102.54 N ATOM 17 C LYS 196 -4.605 20.074 54.705 1.00102.54 C ATOM 18 O LYS 196 -4.306 20.317 53.537 1.00102.54 O ATOM 19 N PRO 197 -5.827 20.084 55.154 1.00111.38 N ATOM 20 CA PRO 197 -6.951 20.376 54.297 1.00111.38 C ATOM 21 CD PRO 197 -6.193 19.167 56.222 1.00111.38 C ATOM 22 CB PRO 197 -8.185 19.862 55.037 1.00111.38 C ATOM 23 CG PRO 197 -7.641 18.744 55.937 1.00111.38 C ATOM 24 C PRO 197 -7.122 21.793 53.829 1.00111.38 C ATOM 25 O PRO 197 -7.786 21.988 52.812 1.00111.38 O ATOM 26 N TYR 198 -6.563 22.804 54.519 1.00 58.61 N ATOM 27 CA TYR 198 -6.879 24.138 54.094 1.00 58.61 C ATOM 28 CB TYR 198 -7.346 25.062 55.233 1.00 58.61 C ATOM 29 CG TYR 198 -8.710 24.614 55.628 1.00 58.61 C ATOM 30 CD1 TYR 198 -9.804 25.059 54.921 1.00 58.61 C ATOM 31 CD2 TYR 198 -8.896 23.758 56.689 1.00 58.61 C ATOM 32 CE1 TYR 198 -11.071 24.655 55.265 1.00 58.61 C ATOM 33 CE2 TYR 198 -10.165 23.351 57.037 1.00 58.61 C ATOM 34 CZ TYR 198 -11.253 23.799 56.325 1.00 58.61 C ATOM 35 OH TYR 198 -12.556 23.385 56.678 1.00 58.61 O ATOM 36 C TYR 198 -5.688 24.764 53.452 1.00 58.61 C ATOM 37 O TYR 198 -4.588 24.761 54.001 1.00 58.61 O ATOM 38 N SER 199 -5.893 25.330 52.245 1.00 72.70 N ATOM 39 CA SER 199 -4.793 25.919 51.543 1.00 72.70 C ATOM 40 CB SER 199 -4.557 25.286 50.164 1.00 72.70 C ATOM 41 OG SER 199 -5.692 25.487 49.336 1.00 72.70 O ATOM 42 C SER 199 -5.071 27.372 51.328 1.00 72.70 C ATOM 43 O SER 199 -6.205 27.772 51.069 1.00 72.70 O ATOM 44 N CYS 200 -4.017 28.205 51.451 1.00 41.64 N ATOM 45 CA CYS 200 -4.160 29.623 51.261 1.00 41.64 C ATOM 46 CB CYS 200 -3.021 30.446 51.893 1.00 41.64 C ATOM 47 SG CYS 200 -3.229 32.237 51.639 1.00 41.64 S ATOM 48 C CYS 200 -4.154 29.908 49.797 1.00 41.64 C ATOM 49 O CYS 200 -3.296 29.424 49.060 1.00 41.64 O ATOM 50 N PRO 201 -5.099 30.679 49.341 1.00 74.28 N ATOM 51 CA PRO 201 -5.109 30.978 47.939 1.00 74.28 C ATOM 52 CD PRO 201 -6.443 30.633 49.894 1.00 74.28 C ATOM 53 CB PRO 201 -6.480 31.585 47.653 1.00 74.28 C ATOM 54 CG PRO 201 -7.384 30.921 48.710 1.00 74.28 C ATOM 55 C PRO 201 -3.949 31.811 47.488 1.00 74.28 C ATOM 56 O PRO 201 -3.537 31.669 46.336 1.00 74.28 O ATOM 57 N GLN 202 -3.433 32.723 48.337 1.00100.36 N ATOM 58 CA GLN 202 -2.371 33.549 47.835 1.00100.36 C ATOM 59 CB GLN 202 -2.120 34.781 48.730 1.00100.36 C ATOM 60 CG GLN 202 -1.211 35.847 48.113 1.00100.36 C ATOM 61 CD GLN 202 0.245 35.425 48.261 1.00100.36 C ATOM 62 OE1 GLN 202 0.579 34.550 49.056 1.00100.36 O ATOM 63 NE2 GLN 202 1.147 36.083 47.484 1.00100.36 N ATOM 64 C GLN 202 -1.079 32.791 47.698 1.00100.36 C ATOM 65 O GLN 202 -0.507 32.725 46.611 1.00100.36 O ATOM 66 N CYS 203 -0.587 32.215 48.820 1.00 60.87 N ATOM 67 CA CYS 203 0.670 31.508 48.870 1.00 60.87 C ATOM 68 CB CYS 203 1.245 31.428 50.295 1.00 60.87 C ATOM 69 SG CYS 203 0.165 30.541 51.453 1.00 60.87 S ATOM 70 C CYS 203 0.589 30.115 48.317 1.00 60.87 C ATOM 71 O CYS 203 1.480 29.675 47.592 1.00 60.87 O ATOM 72 N GLY 204 -0.490 29.376 48.646 1.00 28.65 N ATOM 73 CA GLY 204 -0.609 28.016 48.205 1.00 28.65 C ATOM 74 C GLY 204 -0.181 27.086 49.305 1.00 28.65 C ATOM 75 O GLY 204 -0.243 25.869 49.139 1.00 28.65 O ATOM 76 N LYS 205 0.265 27.618 50.462 1.00104.20 N ATOM 77 CA LYS 205 0.683 26.750 51.532 1.00104.20 C ATOM 78 CB LYS 205 1.487 27.459 52.634 1.00104.20 C ATOM 79 CG LYS 205 1.966 26.509 53.733 1.00104.20 C ATOM 80 CD LYS 205 3.033 27.113 54.647 1.00104.20 C ATOM 81 CE LYS 205 4.420 27.165 54.012 1.00104.20 C ATOM 82 NZ LYS 205 4.904 25.791 53.752 1.00104.20 N ATOM 83 C LYS 205 -0.534 26.145 52.170 1.00104.20 C ATOM 84 O LYS 205 -1.598 26.763 52.211 1.00104.20 O ATOM 85 N SER 206 -0.407 24.903 52.691 1.00 54.27 N ATOM 86 CA SER 206 -1.546 24.241 53.276 1.00 54.27 C ATOM 87 CB SER 206 -1.814 22.845 52.692 1.00 54.27 C ATOM 88 OG SER 206 -2.196 22.952 51.330 1.00 54.27 O ATOM 89 C SER 206 -1.328 24.073 54.752 1.00 54.27 C ATOM 90 O SER 206 -0.195 23.949 55.213 1.00 54.27 O ATOM 91 N TYR 207 -2.436 24.069 55.532 1.00142.07 N ATOM 92 CA TYR 207 -2.354 23.994 56.966 1.00142.07 C ATOM 93 CB TYR 207 -2.696 25.327 57.656 1.00142.07 C ATOM 94 CG TYR 207 -1.636 26.314 57.298 1.00142.07 C ATOM 95 CD1 TYR 207 -1.737 27.072 56.155 1.00142.07 C ATOM 96 CD2 TYR 207 -0.528 26.466 58.103 1.00142.07 C ATOM 97 CE1 TYR 207 -0.757 27.979 55.825 1.00142.07 C ATOM 98 CE2 TYR 207 0.455 27.373 57.778 1.00142.07 C ATOM 99 CZ TYR 207 0.342 28.131 56.638 1.00142.07 C ATOM 100 OH TYR 207 1.346 29.062 56.298 1.00142.07 O ATOM 101 C TYR 207 -3.322 22.974 57.487 1.00142.07 C ATOM 102 O TYR 207 -4.329 22.657 56.859 1.00142.07 O ATOM 103 N ASN 208 -2.995 22.420 58.674 1.00104.84 N ATOM 104 CA ASN 208 -3.788 21.434 59.353 1.00104.84 C ATOM 105 CB ASN 208 -3.071 20.845 60.583 1.00104.84 C ATOM 106 CG ASN 208 -1.813 20.127 60.107 1.00104.84 C ATOM 107 OD1 ASN 208 -0.820 20.760 59.752 1.00104.84 O ATOM 108 ND2 ASN 208 -1.847 18.768 60.106 1.00104.84 N ATOM 109 C ASN 208 -5.066 22.059 59.837 1.00104.84 C ATOM 110 O ASN 208 -6.117 21.418 59.829 1.00104.84 O ATOM 111 N GLN 209 -5.020 23.330 60.292 1.00 41.59 N ATOM 112 CA GLN 209 -6.220 23.902 60.838 1.00 41.59 C ATOM 113 CB GLN 209 -6.144 24.094 62.361 1.00 41.59 C ATOM 114 CG GLN 209 -6.016 22.763 63.108 1.00 41.59 C ATOM 115 CD GLN 209 -5.756 23.033 64.583 1.00 41.59 C ATOM 116 OE1 GLN 209 -6.160 24.058 65.124 1.00 41.59 O ATOM 117 NE2 GLN 209 -5.054 22.077 65.250 1.00 41.59 N ATOM 118 C GLN 209 -6.482 25.236 60.204 1.00 41.59 C ATOM 119 O GLN 209 -5.562 25.945 59.800 1.00 41.59 O ATOM 120 N ASN 210 -7.780 25.600 60.114 1.00 69.94 N ATOM 121 CA ASN 210 -8.212 26.824 59.503 1.00 69.94 C ATOM 122 CB ASN 210 -9.742 26.941 59.393 1.00 69.94 C ATOM 123 CG ASN 210 -10.060 28.255 58.689 1.00 69.94 C ATOM 124 OD1 ASN 210 -10.105 29.314 59.311 1.00 69.94 O ATOM 125 ND2 ASN 210 -10.269 28.189 57.347 1.00 69.94 N ATOM 126 C ASN 210 -7.713 27.992 60.292 1.00 69.94 C ATOM 127 O ASN 210 -7.296 29.002 59.727 1.00 69.94 O ATOM 128 N SER 211 -7.731 27.885 61.630 1.00 58.85 N ATOM 129 CA SER 211 -7.320 28.997 62.434 1.00 58.85 C ATOM 130 CB SER 211 -7.362 28.686 63.939 1.00 58.85 C ATOM 131 OG SER 211 -6.946 29.819 64.688 1.00 58.85 O ATOM 132 C SER 211 -5.905 29.324 62.091 1.00 58.85 C ATOM 133 O SER 211 -5.543 30.493 61.963 1.00 58.85 O ATOM 134 N ASN 212 -5.064 28.287 61.920 1.00 24.53 N ATOM 135 CA ASN 212 -3.683 28.526 61.635 1.00 24.53 C ATOM 136 CB ASN 212 -2.865 27.224 61.515 1.00 24.53 C ATOM 137 CG ASN 212 -2.817 26.571 62.888 1.00 24.53 C ATOM 138 OD1 ASN 212 -2.750 27.254 63.910 1.00 24.53 O ATOM 139 ND2 ASN 212 -2.851 25.212 62.920 1.00 24.53 N ATOM 140 C ASN 212 -3.600 29.232 60.323 1.00 24.53 C ATOM 141 O ASN 212 -2.845 30.191 60.167 1.00 24.53 O ATOM 142 N LEU 213 -4.396 28.782 59.339 1.00 47.06 N ATOM 143 CA LEU 213 -4.328 29.383 58.043 1.00 47.06 C ATOM 144 CB LEU 213 -5.208 28.674 57.002 1.00 47.06 C ATOM 145 CG LEU 213 -5.093 29.289 55.601 1.00 47.06 C ATOM 146 CD1 LEU 213 -3.642 29.226 55.092 1.00 47.06 C ATOM 147 CD2 LEU 213 -6.080 28.636 54.625 1.00 47.06 C ATOM 148 C LEU 213 -4.771 30.812 58.147 1.00 47.06 C ATOM 149 O LEU 213 -4.165 31.701 57.552 1.00 47.06 O ATOM 150 N GLU 214 -5.841 31.077 58.920 1.00 54.04 N ATOM 151 CA GLU 214 -6.300 32.430 59.040 1.00 54.04 C ATOM 152 CB GLU 214 -7.694 32.564 59.683 1.00 54.04 C ATOM 153 CG GLU 214 -8.252 33.986 59.615 1.00 54.04 C ATOM 154 CD GLU 214 -9.702 33.951 60.078 1.00 54.04 C ATOM 155 OE1 GLU 214 -10.136 32.887 60.594 1.00 54.04 O ATOM 156 OE2 GLU 214 -10.396 34.991 59.916 1.00 54.04 O ATOM 157 C GLU 214 -5.303 33.195 59.902 1.00 54.04 C ATOM 158 O GLU 214 -4.637 34.113 59.359 1.00 54.04 O ATOM 159 OXT GLU 214 -5.202 32.878 61.120 1.00 54.04 O