Residual Violations greater than 0.10 13-> ASP 51 HN - ILE 52 HN [ 1.80 3.20] 0.00 0.00 0.12 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 0.13] 69-> GLU 38 HA - GLY 39 HN [ 1.80 3.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.13 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.13 .. 0.43] 221-> LEU 63 HD1* - ALA 64 HN [ 1.80 5.50] 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 - 3 [ 0.08 .. 0.11] 285-> THR 96 HB - ARG 99 HN [ 1.80 5.00] 0.12 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.12] 369-> ILE 22 HD1* - ILE 33 HN [ 1.80 5.50] 0.00 0.00 0.00 0.10 0.00 0.00 0.10 0.00 0.00 0.05 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 0.11] 415-> ALA 88 HN - VAL 116 HG2* [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.13] 437-> LEU 11 HD2* - ALA 135 HA [ 1.80 5.50] 0.00 0.00 0.00 0.12 0.00 0.01 0.05 0.08 0.01 0.06 0.03 0.00 0.00 0.04 0.00 0.06 0.00 0.08 0.00 0.02 - 11 [ 0.01 .. 0.12] 449-> TYR 17 HB* - ILE 22 HA [ 1.80 5.00] 0.00 0.00 0.00 0.04 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 - 3 [ 0.04 .. 0.37] 477-> GLN 47 HA - PRO 146 HD* [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.47 0.52 0.00 0.26 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.37 - 6 [ 0.14 .. 0.52] 569-> VAL 14 HG* - TYR 17 HE* [ 1.80 5.00] 0.00 0.00 0.03 0.12 0.13 0.00 0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.13 0.08 0.02 0.00 - 10 [ 0.00 .. 0.47] 573-> THR 15 HG2* - GLN 26 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 - 1 [ 0.14 .. 0.14] 617-> HIS 31 HE1 - ILE 33 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.42 .. 0.79] 618-> HIS 31 HE1 - SER 43 HB* [ 1.80 5.00] 0.00 0.00 0.04 0.04 0.12 0.00 0.07 0.00 0.14 0.27 0.00 0.66 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.07 - 9 [ 0.04 .. 0.66] 651-> PRO 37 HD* - MET 134 HB* [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10] 659-> TRP 44 HE3 - LEU 145 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 - 2 [ 0.02 .. 0.15] 662-> TRP 44 HH2 - LEU 145 HD1* [ 1.80 5.50] 0.00 0.02 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.01 - 5 [ 0.01 .. 0.11] 663-> TRP 44 HH2 - VAL 46 HG1* [ 1.80 5.00] 0.00 0.17 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.11 0.00 0.00 0.07 0.11 0.05 0.00 0.00 0.03 0.06 0.00 - 8 [ 0.02 .. 0.17] 676-> TRP 44 HZ3 - LEU 145 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11] 702-> PRO 49 HB* - ARG 98 HB* [ 1.80 5.50] 0.00 0.05 0.00 0.04 0.05 0.00 0.00 0.07 0.00 0.00 0.00 0.05 0.08 0.12 0.03 0.06 0.00 0.09 0.06 0.00 - 11 [ 0.03 .. 0.12] 704-> ILE 52 HB - LEU 56 HD1* [ 1.80 5.00] 0.13 0.00 0.00 0.00 0.12 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 - 4 [ 0.02 .. 0.13] 750-> LEU 63 HB* - ALA 88 HB* [ 1.80 5.50] 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.00 0.00 0.00 0.12 0.07 0.01 0.00 0.04 0.00 0.00 - 7 [ 0.01 .. 0.12] 778-> LEU 92 HD1* - VAL 116 HG2* [ 1.80 5.50] 0.00 0.02 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.06 0.01 - 5 [ 0.01 .. 0.10] 814-> THR 96 HG2* - LEU 145 HB* [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.19] 819-> HIS 101 HD1 - LEU 103 HD2* [ 1.80 5.00] 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 94.99 - 20 [94.99 .. 94.99] 870-> TYR 130 HB* - MET 134 HB* [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.32] 881-> LEU 133 HD1* - ARG 138 HB* [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12] 905-> ASP 19 HN - ASP 19 HB3 [ 1.80 3.50] 0.00 0.00 0.00 0.10 0.00 0.08 0.00 0.16 0.00 0.05 0.00 0.04 0.00 0.13 0.00 0.00 0.00 0.00 0.10 0.04 - 8 [ 0.04 .. 0.16] 1044-> ARG 138 HN - ARG 138 HB3 [ 1.80 3.50] 0.19 0.15 0.17 0.13 0.14 0.15 0.18 0.00 0.15 0.18 0.19 0.18 0.14 0.19 0.15 0.16 0.16 0.16 0.13 0.13 - 19 [ 0.13 .. 0.19] ------------------------------------------- Number of Violations greater than 0.10 4 3 3 5 8 2 4 5 4 6 3 8 4 8 4 2 4 3 3 5 ------------------------------------------- ---- Summary Of Residual Distance 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 ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~ 0.1 - 0.2 ang: 3 2 2 4 6 1 2 2 2 3 1 4 2 7 2 1 3 1 2 3 2.65 0.2 - 0.5 ang: 0 0 0 0 1 0 1 2 0 2 1 1 1 0 1 0 0 1 0 1 0.60 > 0.5 ang: 1 1 1 1 1 1 1 1 2 1 1 3 1 1 1 1 1 1 1 1 1.15 Total : 12 24 14 19 21 22 19 18 20 25 14 21 22 17 21 19 13 19 24 16 19.00 Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 Maximum Violation : 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 Max Intra Viol : 0.187 0.151 0.166 0.135 0.145 0.154 0.178 0.162 0.145 0.175 0.192 0.179 0.140 0.194 0.153 0.158 0.165 0.161 0.127 0.132 0.194 Max Seque Viol : 0.000 0.017 0.117 0.080 0.038 0.038 0.129 0.095 0.065 0.044 0.049 0.106 0.430 0.129 0.027 0.093 0.039 0.000 0.088 0.028 0.430 Max Medium Viol : 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 94.990 Max Long Viol : 0.023 0.081 0.070 0.115 0.228 0.097 0.333 0.468 0.516 0.271 0.257 0.663 0.112 0.137 0.106 0.086 0.104 0.366 0.071 0.366 0.663 Average Violation : 0.085 0.085 0.085 0.085 0.086 0.085 0.085 0.086 0.086 0.086 0.085 0.087 0.086 0.086 0.086 0.085 0.085 0.086 0.085 0.085 0.08550 Avge Intra Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.00117 Avge Seque Viol : 0.402 0.402 0.401 0.402 0.402 0.402 0.401 0.403 0.401 0.403 0.401 0.407 0.402 0.402 0.403 0.401 0.401 0.401 0.402 0.401 0.40196 Avge Mediu Viol : 0.000 0.000 0.001 0.000 0.000 0.000 0.001 0.001 0.000 0.000 0.000 0.001 0.002 0.001 0.000 0.000 0.000 0.000 0.001 0.000 0.00048 Avge Long Viol : 0.000 0.001 0.001 0.001 0.002 0.001 0.002 0.002 0.002 0.002 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.002 0.00127 RMS Violation : 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.832 2.83209 RMS Intra : 0.015 0.012 0.013 0.013 0.011 0.014 0.014 0.013 0.011 0.016 0.015 0.014 0.011 0.018 0.012 0.012 0.013 0.013 0.013 0.011 0.01326 RMS Sequential : 6.170 6.170 6.170 6.170 6.170 6.170 6.170 6.170 6.170 6.170 6.170 6.171 6.170 6.170 6.170 6.170 6.170 6.170 6.170 6.170 6.17029 RMS Medium range : 0.000 0.001 0.009 0.006 0.003 0.002 0.009 0.006 0.004 0.003 0.003 0.007 0.028 0.010 0.002 0.006 0.003 0.000 0.010 0.002 0.00837 RMS Long range : 0.001 0.006 0.006 0.008 0.014 0.007 0.017 0.023 0.025 0.014 0.013 0.032 0.009 0.011 0.009 0.007 0.007 0.019 0.007 0.020 0.01474 Final --global-- Summary for 20 models, 1125 NOEs/model, 22500 NOEs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ of viol : 1923.846 Summ sq. viol : 180466.469 Maximum viol : 94.990 Average viol : 0.08550 RMSD viol : 2.83209 Std. Dev. viol : 2.83080 RMS Intra : 0.01326 RMS Seque : 6.17029 RMS Medi : 0.00837 RMS Long : 0.01474