EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:29 REMARK 6 MODELLER OBJECTIVE FUNCTION: 104.7215 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 68.182 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1155.31177 REMARK 6 GA341 score: 0.99368 REMARK 6 Normalized DOPE score: -1.23991 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 68.2% ATOM 1 N GLU 135 3.123 17.445 60.761 1.00 64.95 N ATOM 2 CA GLU 135 2.589 18.154 59.577 1.00 64.95 C ATOM 3 CB GLU 135 2.736 17.293 58.314 1.00 64.95 C ATOM 4 CG GLU 135 4.179 16.951 57.954 1.00 64.95 C ATOM 5 CD GLU 135 4.133 16.212 56.627 1.00 64.95 C ATOM 6 OE1 GLU 135 3.929 16.893 55.585 1.00 64.95 O ATOM 7 OE2 GLU 135 4.294 14.963 56.634 1.00 64.95 O ATOM 8 C GLU 135 1.131 18.405 59.757 1.00 64.95 C ATOM 9 O GLU 135 0.643 18.544 60.877 1.00 64.95 O ATOM 10 N LYS 136 0.398 18.490 58.632 1.00 91.06 N ATOM 11 CA LYS 136 -1.015 18.689 58.721 1.00 91.06 C ATOM 12 CB LYS 136 -1.450 20.006 58.057 1.00 91.06 C ATOM 13 CG LYS 136 -0.732 21.211 58.678 1.00 91.06 C ATOM 14 CD LYS 136 -0.803 22.494 57.849 1.00 91.06 C ATOM 15 CE LYS 136 0.244 23.541 58.247 1.00 91.06 C ATOM 16 NZ LYS 136 0.173 23.823 59.699 1.00 91.06 N ATOM 17 C LYS 136 -1.634 17.535 57.993 1.00 91.06 C ATOM 18 O LYS 136 -1.821 17.546 56.779 1.00 91.06 O ATOM 19 N PRO 137 -1.928 16.528 58.763 1.00122.96 N ATOM 20 CA PRO 137 -2.455 15.270 58.311 1.00122.96 C ATOM 21 CD PRO 137 -1.691 16.558 60.196 1.00122.96 C ATOM 22 CB PRO 137 -2.377 14.339 59.520 1.00122.96 C ATOM 23 CG PRO 137 -2.386 15.294 60.727 1.00122.96 C ATOM 24 C PRO 137 -3.835 15.317 57.735 1.00122.96 C ATOM 25 O PRO 137 -4.166 14.426 56.954 1.00122.96 O ATOM 26 N TYR 138 -4.668 16.312 58.083 1.00 62.04 N ATOM 27 CA TYR 138 -6.011 16.234 57.587 1.00 62.04 C ATOM 28 CB TYR 138 -7.088 16.469 58.659 1.00 62.04 C ATOM 29 CG TYR 138 -7.068 15.255 59.518 1.00 62.04 C ATOM 30 CD1 TYR 138 -7.704 14.112 59.091 1.00 62.04 C ATOM 31 CD2 TYR 138 -6.423 15.248 60.733 1.00 62.04 C ATOM 32 CE1 TYR 138 -7.698 12.975 59.859 1.00 62.04 C ATOM 33 CE2 TYR 138 -6.414 14.111 61.506 1.00 62.04 C ATOM 34 CZ TYR 138 -7.049 12.975 61.068 1.00 62.04 C ATOM 35 OH TYR 138 -7.037 11.808 61.858 1.00 62.04 O ATOM 36 C TYR 138 -6.217 17.230 56.500 1.00 62.04 C ATOM 37 O TYR 138 -6.022 18.430 56.689 1.00 62.04 O ATOM 38 N SER 139 -6.636 16.738 55.314 1.00 74.89 N ATOM 39 CA SER 139 -6.856 17.617 54.202 1.00 74.89 C ATOM 40 CB SER 139 -6.060 17.238 52.939 1.00 74.89 C ATOM 41 OG SER 139 -6.340 18.158 51.893 1.00 74.89 O ATOM 42 C SER 139 -8.307 17.586 53.839 1.00 74.89 C ATOM 43 O SER 139 -8.961 16.547 53.908 1.00 74.89 O ATOM 44 N CYS 140 -8.847 18.762 53.462 1.00 46.78 N ATOM 45 CA CYS 140 -10.224 18.901 53.075 1.00 46.78 C ATOM 46 CB CYS 140 -10.719 20.358 53.131 1.00 46.78 C ATOM 47 SG CYS 140 -12.460 20.550 52.640 1.00 46.78 S ATOM 48 C CYS 140 -10.368 18.443 51.660 1.00 46.78 C ATOM 49 O CYS 140 -9.705 18.936 50.751 1.00 46.78 O ATOM 50 N PRO 141 -11.235 17.497 51.460 1.00154.43 N ATOM 51 CA PRO 141 -11.478 16.947 50.157 1.00154.43 C ATOM 52 CD PRO 141 -12.282 17.176 52.415 1.00154.43 C ATOM 53 CB PRO 141 -12.570 15.899 50.373 1.00154.43 C ATOM 54 CG PRO 141 -13.347 16.440 51.589 1.00154.43 C ATOM 55 C PRO 141 -11.905 17.998 49.175 1.00154.43 C ATOM 56 O PRO 141 -11.541 17.891 48.005 1.00154.43 O ATOM 57 N GLN 142 -12.726 18.978 49.599 1.00 80.17 N ATOM 58 CA GLN 142 -13.202 19.947 48.651 1.00 80.17 C ATOM 59 CB GLN 142 -14.291 20.840 49.268 1.00 80.17 C ATOM 60 CG GLN 142 -14.872 21.887 48.316 1.00 80.17 C ATOM 61 CD GLN 142 -15.524 22.955 49.181 1.00 80.17 C ATOM 62 OE1 GLN 142 -14.837 23.841 49.686 1.00 80.17 O ATOM 63 NE2 GLN 142 -16.868 22.874 49.370 1.00 80.17 N ATOM 64 C GLN 142 -12.117 20.887 48.206 1.00 80.17 C ATOM 65 O GLN 142 -11.786 20.964 47.023 1.00 80.17 O ATOM 66 N CYS 143 -11.561 21.633 49.185 1.00105.93 N ATOM 67 CA CYS 143 -10.579 22.672 49.013 1.00105.93 C ATOM 68 CB CYS 143 -10.515 23.580 50.250 1.00105.93 C ATOM 69 SG CYS 143 -9.249 24.875 50.130 1.00105.93 S ATOM 70 C CYS 143 -9.189 22.168 48.760 1.00105.93 C ATOM 71 O CYS 143 -8.489 22.689 47.895 1.00105.93 O ATOM 72 N GLY 144 -8.745 21.142 49.516 1.00 27.94 N ATOM 73 CA GLY 144 -7.392 20.667 49.405 1.00 27.94 C ATOM 74 C GLY 144 -6.560 21.287 50.499 1.00 27.94 C ATOM 75 O GLY 144 -5.367 21.009 50.611 1.00 27.94 O ATOM 76 N LYS 145 -7.171 22.146 51.338 1.00 59.36 N ATOM 77 CA LYS 145 -6.475 22.783 52.426 1.00 59.36 C ATOM 78 CB LYS 145 -7.316 23.924 53.032 1.00 59.36 C ATOM 79 CG LYS 145 -6.602 24.812 54.053 1.00 59.36 C ATOM 80 CD LYS 145 -7.355 26.119 54.338 1.00 59.36 C ATOM 81 CE LYS 145 -6.690 27.017 55.387 1.00 59.36 C ATOM 82 NZ LYS 145 -7.533 28.208 55.647 1.00 59.36 N ATOM 83 C LYS 145 -6.208 21.754 53.497 1.00 59.36 C ATOM 84 O LYS 145 -7.046 20.894 53.759 1.00 59.36 O ATOM 85 N SER 146 -5.024 21.811 54.156 1.00 99.38 N ATOM 86 CA SER 146 -4.725 20.824 55.167 1.00 99.38 C ATOM 87 CB SER 146 -3.473 19.977 54.868 1.00 99.38 C ATOM 88 OG SER 146 -2.333 20.806 54.717 1.00 99.38 O ATOM 89 C SER 146 -4.575 21.480 56.512 1.00 99.38 C ATOM 90 O SER 146 -4.192 22.645 56.615 1.00 99.38 O ATOM 91 N PHE 147 -4.890 20.723 57.590 1.00145.86 N ATOM 92 CA PHE 147 -4.898 21.263 58.926 1.00145.86 C ATOM 93 CB PHE 147 -6.319 21.375 59.507 1.00145.86 C ATOM 94 CG PHE 147 -7.085 22.352 58.688 1.00145.86 C ATOM 95 CD1 PHE 147 -7.691 21.954 57.518 1.00145.86 C ATOM 96 CD2 PHE 147 -7.184 23.666 59.079 1.00145.86 C ATOM 97 CE1 PHE 147 -8.399 22.850 56.755 1.00145.86 C ATOM 98 CE2 PHE 147 -7.892 24.566 58.321 1.00145.86 C ATOM 99 CZ PHE 147 -8.501 24.158 57.160 1.00145.86 C ATOM 100 C PHE 147 -4.156 20.354 59.862 1.00145.86 C ATOM 101 O PHE 147 -4.032 19.152 59.630 1.00145.86 O ATOM 102 N LYS 148 -3.630 20.945 60.956 1.00102.82 N ATOM 103 CA LYS 148 -2.921 20.240 61.985 1.00102.82 C ATOM 104 CB LYS 148 -2.259 21.167 63.023 1.00102.82 C ATOM 105 CG LYS 148 -3.247 21.949 63.891 1.00102.82 C ATOM 106 CD LYS 148 -2.610 22.539 65.153 1.00102.82 C ATOM 107 CE LYS 148 -3.587 23.334 66.021 1.00102.82 C ATOM 108 NZ LYS 148 -3.895 24.630 65.378 1.00102.82 N ATOM 109 C LYS 148 -3.872 19.355 62.733 1.00102.82 C ATOM 110 O LYS 148 -3.500 18.265 63.167 1.00102.82 O ATOM 111 N GLN 149 -5.130 19.802 62.932 1.00 50.11 N ATOM 112 CA GLN 149 -6.002 18.993 63.741 1.00 50.11 C ATOM 113 CB GLN 149 -6.275 19.605 65.122 1.00 50.11 C ATOM 114 CG GLN 149 -5.035 19.616 66.020 1.00 50.11 C ATOM 115 CD GLN 149 -5.364 20.440 67.254 1.00 50.11 C ATOM 116 OE1 GLN 149 -5.569 21.649 67.167 1.00 50.11 O ATOM 117 NE2 GLN 149 -5.413 19.775 68.438 1.00 50.11 N ATOM 118 C GLN 149 -7.324 18.770 63.072 1.00 50.11 C ATOM 119 O GLN 149 -7.788 19.574 62.266 1.00 50.11 O ATOM 120 N ASN 150 -7.960 17.635 63.430 1.00 77.74 N ATOM 121 CA ASN 150 -9.217 17.198 62.895 1.00 77.74 C ATOM 122 CB ASN 150 -9.682 15.858 63.482 1.00 77.74 C ATOM 123 CG ASN 150 -11.069 15.567 62.929 1.00 77.74 C ATOM 124 OD1 ASN 150 -11.416 15.991 61.828 1.00 77.74 O ATOM 125 ND2 ASN 150 -11.898 14.842 63.727 1.00 77.74 N ATOM 126 C ASN 150 -10.291 18.178 63.230 1.00 77.74 C ATOM 127 O ASN 150 -11.134 18.489 62.390 1.00 77.74 O ATOM 128 N ASN 151 -10.287 18.698 64.471 1.00 60.20 N ATOM 129 CA ASN 151 -11.353 19.562 64.885 1.00 60.20 C ATOM 130 CB ASN 151 -11.187 20.059 66.331 1.00 60.20 C ATOM 131 CG ASN 151 -12.496 20.711 66.759 1.00 60.20 C ATOM 132 OD1 ASN 151 -12.959 21.667 66.140 1.00 60.20 O ATOM 133 ND2 ASN 151 -13.119 20.169 67.840 1.00 60.20 N ATOM 134 C ASN 151 -11.375 20.753 63.987 1.00 60.20 C ATOM 135 O ASN 151 -12.440 21.195 63.562 1.00 60.20 O ATOM 136 N ASN 152 -10.187 21.298 63.669 1.00 32.59 N ATOM 137 CA ASN 152 -10.105 22.460 62.839 1.00 32.59 C ATOM 138 CB ASN 152 -8.666 22.996 62.713 1.00 32.59 C ATOM 139 CG ASN 152 -8.222 23.489 64.086 1.00 32.59 C ATOM 140 OD1 ASN 152 -8.989 24.119 64.812 1.00 32.59 O ATOM 141 ND2 ASN 152 -6.952 23.177 64.461 1.00 32.59 N ATOM 142 C ASN 152 -10.594 22.104 61.466 1.00 32.59 C ATOM 143 O ASN 152 -11.275 22.893 60.819 1.00 32.59 O ATOM 144 N LEU 153 -10.257 20.895 60.977 1.00106.27 N ATOM 145 CA LEU 153 -10.657 20.510 59.654 1.00106.27 C ATOM 146 CB LEU 153 -10.112 19.107 59.289 1.00106.27 C ATOM 147 CG LEU 153 -10.420 18.585 57.866 1.00106.27 C ATOM 148 CD1 LEU 153 -11.914 18.297 57.663 1.00106.27 C ATOM 149 CD2 LEU 153 -9.835 19.505 56.783 1.00106.27 C ATOM 150 C LEU 153 -12.157 20.492 59.611 1.00106.27 C ATOM 151 O LEU 153 -12.766 21.024 58.685 1.00106.27 O ATOM 152 N GLU 154 -12.807 19.907 60.635 1.00 84.24 N ATOM 153 CA GLU 154 -14.238 19.809 60.594 1.00 84.24 C ATOM 154 CB GLU 154 -14.827 18.884 61.681 1.00 84.24 C ATOM 155 CG GLU 154 -14.456 19.219 63.123 1.00 84.24 C ATOM 156 CD GLU 154 -15.073 18.128 63.988 1.00 84.24 C ATOM 157 OE1 GLU 154 -15.090 16.952 63.533 1.00 84.24 O ATOM 158 OE2 GLU 154 -15.543 18.457 65.109 1.00 84.24 O ATOM 159 C GLU 154 -14.863 21.171 60.640 1.00 84.24 C ATOM 160 O GLU 154 -15.825 21.431 59.917 1.00 84.24 O ATOM 161 N VAL 155 -14.333 22.096 61.465 1.00 81.68 N ATOM 162 CA VAL 155 -14.951 23.390 61.497 1.00 81.68 C ATOM 163 CB VAL 155 -14.347 24.338 62.502 1.00 81.68 C ATOM 164 CG1 VAL 155 -14.502 23.710 63.895 1.00 81.68 C ATOM 165 CG2 VAL 155 -12.898 24.682 62.114 1.00 81.68 C ATOM 166 C VAL 155 -14.816 23.983 60.132 1.00 81.68 C ATOM 167 O VAL 155 -15.761 24.565 59.601 1.00 81.68 O ATOM 168 N HIS 156 -13.624 23.833 59.521 1.00 30.73 N ATOM 169 CA HIS 156 -13.399 24.334 58.199 1.00 30.73 C ATOM 170 ND1 HIS 156 -11.463 25.957 56.104 1.00 30.73 N ATOM 171 CG HIS 156 -11.692 24.619 56.329 1.00 30.73 C ATOM 172 CB HIS 156 -11.981 24.034 57.681 1.00 30.73 C ATOM 173 NE2 HIS 156 -11.305 24.941 54.132 1.00 30.73 N ATOM 174 CD2 HIS 156 -11.592 24.011 55.116 1.00 30.73 C ATOM 175 CE1 HIS 156 -11.238 26.092 54.772 1.00 30.73 C ATOM 176 C HIS 156 -14.388 23.619 57.292 1.00 30.73 C ATOM 177 O HIS 156 -14.987 24.297 56.414 1.00 30.73 O ATOM 178 OXT HIS 156 -14.561 22.384 57.470 1.00 30.73 O