Residual Violations greater than 0.10 14-> LYS 2 HA - ILE 3 HN [ 1.80 2.90] 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] 118-> ILE 6 HN - ILE 6 HB [ 1.80 3.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 - 1 [ 0.26 .. 0.26] 122-> ILE 6 HA - SER 7 HN [ 1.80 2.90] 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 - 1 [ 0.54 .. 0.54] 151-> GLU 8 HN - GLU 8 HB3 [ 1.80 3.50] 0.11 0.00 0.00 0.26 0.00 0.13 0.12 0.12 0.11 0.11 - 7 [ 0.11 .. 0.26] 154-> GLU 8 HA - THR 9 HN [ 1.80 2.90] 0.00 0.48 0.13 0.00 0.19 0.00 0.00 0.00 0.27 0.00 - 4 [ 0.13 .. 0.48] 155-> GLU 8 HB2 - THR 9 HN [ 1.80 3.50] 0.00 0.40 0.80 0.00 0.78 0.04 0.02 0.48 0.00 0.03 - 7 [ 0.02 .. 0.80] 156-> GLU 8 HB3 - THR 9 HN [ 1.80 3.50] 0.00 0.00 0.16 0.10 0.10 0.00 0.00 0.00 0.63 0.00 - 4 [ 0.10 .. 0.63] 160-> THR 9 HN - PRO 10 HA [ 1.80 5.00] 0.00 0.12 0.00 0.00 0.10 0.10 0.11 0.00 0.00 0.19 - 5 [ 0.10 .. 0.19] 161-> THR 9 HN - PRO 10 HD2 [ 1.80 5.00] 0.00 0.03 0.00 0.00 0.22 0.00 0.00 0.14 0.00 0.12 - 4 [ 0.03 .. 0.22] 163-> THR 9 HB - ASN 11 HN [ 1.80 5.00] 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12] 177-> ASN 11 HN - ASN 11 HB2 [ 1.80 3.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.26 - 2 [ 0.26 .. 0.48] 178-> ASN 11 HN - ASN 11 HB3 [ 1.80 3.50] 0.20 0.15 0.00 0.08 0.06 0.08 0.00 0.06 0.00 0.00 - 6 [ 0.06 .. 0.20] 184-> HIS 12 HD2 - TRP 71 HE1 [ 1.80 5.00] 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12] 188-> ASN 13 HN - THR 14 HN [ 1.80 3.50] 0.18 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.18] 197-> ASN 13 HB2 - LYS 65 HN [ 1.80 5.00] 0.33 0.00 0.19 0.40 0.11 0.03 0.00 0.07 0.11 0.03 - 9 [ 0.00 .. 0.40] 214-> THR 14 HB - ASP 64 HB3 [ 1.80 3.50] 0.33 0.43 0.00 0.26 0.49 0.26 0.48 0.41 0.00 0.15 - 8 [ 0.15 .. 0.49] 240-> MET 15 HE* - VAL 63 HB [ 1.80 6.00] 0.09 0.12 0.14 0.08 0.08 0.00 0.03 0.00 0.00 0.00 - 6 [ 0.03 .. 0.14] 242-> MET 15 HE* - TRP 71 HD1 [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.13 0.00 - 2 [ 0.13 .. 0.14] 295-> ILE 17 HG12 - ILE 61 HB [ 1.80 5.00] 0.09 0.10 0.08 0.05 0.05 0.00 0.00 0.09 0.13 0.06 - 8 [ 0.05 .. 0.13] 355-> SER 20 HN - GLU 21 HA [ 1.80 5.00] 0.00 0.00 0.05 0.08 0.21 0.04 0.00 0.15 0.01 0.05 - 7 [ 0.01 .. 0.21] 406-> MET 26 HN - ASP 59 HB* [ 1.80 6.00] 0.00 0.00 0.00 0.05 0.12 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.12] 446-> ASP 29 HB2 - HIS 56 HN [ 1.80 5.00] 0.11 0.07 0.00 0.12 0.00 0.01 0.07 0.00 0.00 0.12 - 6 [ 0.01 .. 0.12] 530-> LYS 33 HA - VAL 34 HN [ 1.80 2.90] 0.07 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.19 0.41 - 4 [ 0.07 .. 0.41] 535-> VAL 34 HN - VAL 34 HB [ 1.80 3.50] 0.07 0.00 0.00 0.08 0.50 0.00 0.00 0.07 0.05 0.09 - 6 [ 0.05 .. 0.50] 557-> VAL 34 HG2* - LEU 46 HN [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.21 0.00 0.04 0.00 0.00 0.00 - 2 [ 0.04 .. 0.21] 575-> ASP 35 HB* - ASP 36 HN [ 1.80 6.00] 0.00 0.00 0.00 0.12 0.00 0.07 0.00 0.11 0.00 0.00 - 3 [ 0.07 .. 0.12] 594-> GLN 38 HN - PRO 39 HD2 [ 1.80 5.00] 0.14 0.11 0.17 0.20 0.15 0.14 0.16 0.14 0.12 0.09 - 10 [ 0.09 .. 0.20] 598-> GLN 38 HB2 - GLN 38 HE22 [ 1.80 5.00] 0.21 0.42 0.00 0.00 0.19 0.00 0.00 0.19 0.20 0.20 - 6 [ 0.19 .. 0.42] 743-> ASN 43 HA - ASN 43 HD21 [ 1.80 5.00] 0.04 0.00 0.00 0.10 0.08 0.09 0.08 0.09 0.05 0.09 - 8 [ 0.04 .. 0.10] 949-> LYS 52 HN - SER 53 HN [ 1.80 3.50] 0.42 0.00 0.00 0.00 0.39 0.00 0.00 0.41 0.00 0.00 - 3 [ 0.39 .. 0.42] 950-> LYS 52 HN - ASP 64 HB* [ 1.80 6.00] 0.73 0.00 0.00 0.00 0.78 0.00 0.00 0.73 0.00 0.00 - 3 [ 0.73 .. 0.78] 1042-> HIS 56 HD2 - VAL 57 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 - 1 [ 0.95 .. 0.95] 1043-> HIS 56 HD2 - PHE 60 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 - 1 [ 0.12 .. 0.12] 1060-> VAL 57 HB - PHE 60 HZ [ 1.80 5.00] 0.12 0.16 0.13 0.16 0.14 0.08 0.07 0.12 0.09 0.11 - 10 [ 0.07 .. 0.16] 1076-> MET 58 HB* - ASP 59 HN [ 1.80 4.50] 0.09 0.11 0.08 0.14 0.16 0.06 0.04 0.12 0.13 0.13 - 10 [ 0.04 .. 0.16] 1080-> MET 58 HG* - ASP 59 HB2 [ 1.80 6.00] 0.00 0.00 0.00 0.80 0.79 0.00 0.00 0.80 0.75 0.68 - 5 [ 0.68 .. 0.80] 1180-> LYS 65 HG3 - TRP 71 HE1 [ 1.80 5.00] 0.00 0.01 0.00 0.00 0.00 0.09 0.00 0.00 0.13 0.02 - 4 [ 0.01 .. 0.13] 1206-> GLU 66 HB* - ASN 67 HN [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.12 0.00 - 2 [ 0.10 .. 0.12] 1441-> PHE 82 HN - PHE 82 HZ [ 1.80 5.00] 0.38 0.79 1.09 0.51 0.97 0.17 0.95 1.06 0.47 0.81 - 10 [ 0.17 .. 1.09] 1485-> GLU 85 HB* - HIS 86 HN [ 1.80 6.00] 0.00 0.12 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 0.12] 1508-> ALA 40 O - ASN 43 HN [ 1.50 2.30] 0.05 0.08 0.12 0.05 0.05 0.06 0.08 0.05 0.07 0.09 - 10 [ 0.05 .. 0.12] 1530-> PHE 60 O - VAL 57 HN [ 1.50 2.30] 0.00 0.00 0.13 0.09 0.08 0.00 0.07 0.07 0.09 0.06 - 8 [ 0.00 .. 0.13] ------------------------------------------- Number of Violations greater than 0.10 12 12 11 15 19 7 7 15 15 14 ------------------------------------------- ---- 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 Averages ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~ 0.1 - 0.2 ang: 6 7 9 9 9 5 4 8 9 9 7.50 0.2 - 0.5 ang: 5 4 0 4 5 1 2 4 4 2 3.10 > 0.5 ang: 1 1 2 2 5 1 1 3 2 3 2.10 Total : 43 34 38 43 53 39 42 38 41 42 41.30 Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 Maximum Violation : 0.731 0.792 1.087 0.798 0.968 0.536 0.948 1.061 0.753 0.955 1.087 Max Intra Viol : 0.379 0.792 1.087 0.511 0.968 0.169 0.948 1.061 0.484 0.812 1.087 Max Seque Viol : 0.421 0.475 0.798 0.798 0.789 0.536 0.375 0.798 0.753 0.955 0.955 Max Medium Viol : 0.125 0.160 0.128 0.157 0.142 0.083 0.078 0.117 0.094 0.124 0.160 Max Long Viol : 0.731 0.429 0.187 0.401 0.777 0.262 0.484 0.726 0.130 0.151 0.777 Average Violation : 0.003 0.003 0.003 0.003 0.005 0.002 0.003 0.004 0.003 0.004 0.00327 Avge Intra Viol : 0.002 0.003 0.002 0.002 0.004 0.001 0.003 0.004 0.003 0.004 0.00287 Avge Seque Viol : 0.001 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.00115 Avge Mediu Viol : 0.005 0.007 0.008 0.007 0.015 0.005 0.005 0.011 0.011 0.012 0.00857 Avge Long Viol : 0.004 0.002 0.002 0.003 0.005 0.002 0.002 0.004 0.002 0.001 0.00268 RMS Violation : 0.029 0.032 0.037 0.031 0.050 0.019 0.031 0.045 0.034 0.041 0.03570 RMS Intra : 0.023 0.042 0.050 0.027 0.051 0.011 0.044 0.052 0.033 0.041 0.03957 RMS Sequential : 0.009 0.009 0.012 0.012 0.011 0.008 0.008 0.009 0.009 0.011 0.00981 RMS Medium range : 0.033 0.044 0.056 0.056 0.082 0.037 0.030 0.069 0.069 0.083 0.05898 RMS Long range : 0.042 0.022 0.014 0.025 0.046 0.016 0.024 0.040 0.013 0.011 0.02820 Final --global-- Summary for 10 models, 1544 NOEs/model, 15440 NOEs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ of viol : 50.470 Summ sq. viol : 19.674 Maximum viol : 1.087 Average viol : 0.00327 RMSD viol : 0.03570 Std. Dev. viol : 0.03555 RMS Intra : 0.03957 RMS Seque : 0.00981 RMS Medi : 0.05898 RMS Long : 0.02820