Spaces:
Running
on
Zero
Running
on
Zero
| MODEL 1 | |
| REMARK VINA RESULT: -11.246 0.000 0.000 | |
| REMARK INTER + INTRA: -15.042 | |
| REMARK INTER: -14.017 | |
| REMARK INTRA: -1.025 | |
| REMARK UNBOUND: -0.509 | |
| REMARK Flexibility Score: inf | |
| REMARK Active torsions | |
| ROOT | |
| ATOM 1 N1 LIG L 1 6.800 45.820 64.077 1.00 0.00 -0.227 N | |
| ATOM 2 O1 LIG L 1 7.946 44.192 61.918 1.00 0.00 -0.268 OA | |
| ATOM 3 N2 LIG L 1 5.822 43.480 61.347 1.00 0.00 -0.266 N | |
| ATOM 4 N3 LIG L 1 5.821 46.561 64.702 1.00 0.00 -0.161 NA | |
| ATOM 5 C1 LIG L 1 6.726 44.259 62.072 1.00 0.00 0.270 C | |
| ATOM 6 C2 LIG L 1 4.631 46.389 64.102 1.00 0.00 0.151 A | |
| ATOM 7 C3 LIG L 1 4.875 45.504 63.050 1.00 0.00 0.017 A | |
| ATOM 8 C4 LIG L 1 6.215 45.153 63.027 1.00 0.00 0.133 A | |
| ATOM 9 C5 LIG L 1 3.896 44.963 62.047 1.00 0.00 0.059 C | |
| ATOM 10 C6 LIG L 1 4.374 43.561 61.675 1.00 0.00 0.119 C | |
| ENDROOT | |
| BRANCH 1 11 | |
| ATOM 11 C7 LIG L 1 8.127 45.745 64.558 1.00 0.00 0.066 A | |
| ATOM 12 C8 LIG L 1 10.851 45.526 65.566 1.00 0.00 0.120 A | |
| ATOM 13 C9 LIG L 1 10.561 46.473 64.482 1.00 0.00 0.048 A | |
| ATOM 14 C10 LIG L 1 9.787 44.697 66.157 1.00 0.00 0.048 A | |
| ATOM 15 C11 LIG L 1 9.188 46.584 63.970 1.00 0.00 0.031 A | |
| ATOM 16 C12 LIG L 1 8.422 44.809 65.650 1.00 0.00 0.031 A | |
| BRANCH 12 17 | |
| ATOM 17 O2 LIG L 1 12.188 45.466 65.973 1.00 0.00 -0.495 OA | |
| ATOM 18 C13 LIG L 1 12.764 44.363 66.673 1.00 0.00 0.277 C | |
| ENDBRANCH 12 17 | |
| ENDBRANCH 1 11 | |
| BRANCH 6 19 | |
| ATOM 19 C14 LIG L 1 3.405 46.930 64.519 1.00 0.00 0.262 C | |
| ATOM 20 O3 LIG L 1 2.746 47.698 63.813 1.00 0.00 -0.269 OA | |
| ATOM 21 N4 LIG L 1 2.998 46.518 65.737 1.00 0.00 -0.324 N | |
| ATOM 22 H1 LIG L 1 3.560 45.904 66.263 1.00 0.00 0.145 HD | |
| ATOM 23 H2 LIG L 1 2.138 46.830 66.101 1.00 0.00 0.145 HD | |
| ENDBRANCH 6 19 | |
| BRANCH 3 24 | |
| ATOM 24 C15 LIG L 1 6.260 42.537 60.414 1.00 0.00 0.037 A | |
| ATOM 25 C16 LIG L 1 6.090 41.115 60.743 1.00 0.00 0.025 A | |
| ATOM 26 C17 LIG L 1 6.926 42.997 59.185 1.00 0.00 0.025 A | |
| ATOM 27 C18 LIG L 1 6.615 40.125 59.830 1.00 0.00 0.025 A | |
| ATOM 28 C19 LIG L 1 7.476 42.010 58.284 1.00 0.00 0.025 A | |
| ATOM 29 C20 LIG L 1 7.309 40.594 58.629 1.00 0.00 0.036 A | |
| BRANCH 29 30 | |
| ATOM 30 N5 LIG L 1 7.813 39.642 57.782 1.00 0.00 -0.271 N | |
| ATOM 31 C21 LIG L 1 7.017 39.173 56.781 1.00 0.00 0.220 C | |
| ATOM 32 C22 LIG L 1 9.218 39.206 57.961 1.00 0.00 0.113 C | |
| ATOM 33 O4 LIG L 1 5.860 39.556 56.611 1.00 0.00 -0.275 OA | |
| ATOM 34 C23 LIG L 1 7.561 38.102 55.851 1.00 0.00 0.096 C | |
| ATOM 35 C24 LIG L 1 9.591 37.935 57.219 1.00 0.00 0.020 C | |
| ATOM 36 C25 LIG L 1 9.082 38.072 55.801 1.00 0.00 0.011 C | |
| ENDBRANCH 29 30 | |
| ENDBRANCH 3 24 | |
| TORSDOF 5 | |
| ENDMDL | |