2-> [THR A 2] PSI 103.5 155.4 0.7 0.0 1.8 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.9] 25-> [GLU A 14] PHI -86.5 -46.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 - 1 [ 0.0 .. 2.1] 28-> [THR A 15] PSI -62.0 -22.0 0.4 0.1 0.0 0.0 0.4 0.6 0.0 0.0 1.3 0.0 1.0 1.8 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 - 8 [ 0.0 .. 1.8] 33-> [PRO A 19] PSI 119.9 159.9 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.3] 44-> [PRO A 25] PSI -41.6 -1.6 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.6] 56-> [ILE A 35] PSI 99.9 169.3 0.0 0.0 0.0 1.4 0.0 1.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.4] 60-> [SER A 37] PSI -58.6 -18.6 0.0 1.3 1.6 0.0 0.0 0.3 1.6 1.3 0.0 2.6 0.6 2.2 0.0 3.0 0.7 3.2 2.7 0.0 2.1 1.2 - 14 [ 0.0 .. 3.2] 61-> [LEU A 38] PHI -85.0 -45.0 0.0 0.0 0.0 0.3 0.0 0.0 1.9 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 1.2 0.0 0.7 0.2 0.0 - 6 [ 0.0 .. 1.9] 66-> [PHE A 40] PSI -65.2 -25.2 3.2 3.7 6.5 5.0 2.0 3.6 4.9 4.4 3.0 4.4 3.8 3.0 4.2 4.5 3.9 6.0 4.0 2.7 4.3 2.9 - 20 [ 2.0 .. 6.5] 88-> [PHE A 51] PSI -27.0 16.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 1.0 - 3 [ 0.0 .. 1.4] 92-> [ILE A 53] PSI 136.6 -172.6 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.1 - 3 [ 0.0 .. 1.7] 97-> [PRO A 56] PSI 86.9 -168.4 5.0 5.9 1.4 2.3 5.1 1.8 3.9 5.4 5.6 2.9 2.0 2.9 5.4 5.1 4.0 1.0 2.6 5.3 0.5 6.4 - 20 [ 0.5 .. 6.4] 98-> [LEU A 57] PHI -74.7 -34.7 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2] 102-> [LYS A 59] PHI -84.9 -44.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9] 161-> [GLY A 92] PSI -54.3 -14.0 0.0 0.0 1.1 0.0 2.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 - 3 [ 0.0 .. 2.5] 162-> [ALA A 93] PHI -86.5 -44.7 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.5] ---- ACOSummary Of Residual ACO Constraint Violations ---- Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~ 1 - 10. degrees : 3 4 6 3 4 2 5 3 3 3 5 4 2 3 3 4 3 3 4 4 3.55 > 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 Total : 6 7 6 5 5 6 6 4 5 4 9 4 3 3 5 5 5 6 8 7 5.45 Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00 Maximum Violation : 5.0 5.9 6.5 5.0 5.1 3.6 4.9 5.4 5.6 4.4 3.8 3.0 5.4 5.1 4.0 6.0 4.0 5.3 4.3 6.4 6.47 Max PHI Viol : 0.8 1.2 0.0 0.3 1.1 0.5 1.9 0.0 0.0 0.0 1.5 0.0 0.1 0.0 2.9 1.2 0.0 0.7 2.1 0.0 2.87 Max PSI Viol : 5.0 5.9 6.5 5.0 5.1 3.6 4.9 5.4 5.6 4.4 3.8 3.0 5.4 5.1 4.0 6.0 4.0 5.3 4.3 6.4 6.47 Average Violation : 0.1 0.1 0.1 0.1 0.1 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.069 Avge PHI Viol : 0.100 0.162 0.000 0.066 0.115 0.081 0.154 0.000 0.000 0.000 0.144 0.000 0.035 0.000 0.188 0.158 0.000 0.129 0.183 0.000 0.104 Avge PSI Viol : 0.359 0.370 0.408 0.333 0.345 0.293 0.405 0.379 0.355 0.349 0.335 0.343 0.337 0.388 0.322 0.349 0.349 0.334 0.321 0.387 0.354 RMS Violation : 0.485 0.567 0.569 0.446 0.477 0.330 0.573 0.560 0.505 0.456 0.379 0.393 0.529 0.579 0.491 0.549 0.428 0.478 0.421 0.565 0.494 RMS PHI Viol : 0.090 0.168 0.000 0.039 0.120 0.060 0.214 0.000 0.000 0.000 0.165 0.000 0.011 0.000 0.319 0.162 0.000 0.106 0.237 0.000 0.127 RMS PSI Viol : 0.673 0.777 0.798 0.624 0.658 0.459 0.776 0.785 0.708 0.639 0.506 0.551 0.741 0.812 0.613 0.753 0.600 0.661 0.541 0.791 0.681 Final --global-- Summary for 20 models, 165 ACOs/model, 3300 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 228.11 Summ. Sq. Viol. : 805.76 Max. Viol. : 6.466 Avg. Viol. : 0.06912 RMS Viol. : 0.49413 Std. Dev. Viol. : 0.48928