Residual Violations greater than 0.10 7-> ASP A 2 HB3 - ASN A 3 HN [ 1.80 4.70] 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 0.00 0.00 0.11 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.11] 20-> ASN A 3 HD22 - LEU A 56 HD* [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.13 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.13] 21-> ASN A 3 HN - ASN A 3 HB3 [ 1.80 3.99] 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 0.13 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13] 34-> ARG A 4 HB* - LEU A 56 HG [ 1.80 5.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.21 0.00 0.01 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.21] 50-> ARG A 4 HE - LEU A 56 HD* [ 1.80 3.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 - 4 [ 0.00 .. 0.15] 52-> ARG A 4 HE - LEU A 56 HD2* [ 1.80 5.00] 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.05 0.00 0.00 0.00 0.00 0.17 - 4 [ 0.05 .. 0.19] 58-> ARG A 4 HN - ARG A 4 HG2 [ 1.80 3.90] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26] 171-> THR A 10 HN - THR A 10 HG2* [ 1.80 3.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.11 0.00 0.05 0.04 0.00 0.08 0.00 0.04 0.00 - 6 [ 0.04 .. 0.11] 205-> SER A 13 HB3 - THR A 27 HA [ 1.80 4.88] 0.00 0.04 0.00 0.14 0.04 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.05 0.00 0.04 0.00 - 7 [ 0.01 .. 0.14] 338-> LYS A 21 HB2 - LYS A 21 HE* [ 1.80 4.30] 0.00 0.00 0.00 0.00 0.00 0.15 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 - 1 [ 0.15 .. 0.15] 473-> THR A 27 HG2* - LEU A 32 HN [ 1.80 4.17] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14] 475-> THR A 27 HN - THR A 27 HG2* [ 1.80 3.62] 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 0.00 0.00 - 1 [ 0.11 .. 0.11] 490-> ILE A 28 HN - ILE A 28 HD1* [ 1.80 3.73] 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.23] 629-> GLU A 37 HG* - LEU A 56 HD1* [ 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11] 630-> GLU A 37 HN - GLU A 37 HG* [ 1.80 4.04] 0.09 0.00 0.18 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.18] 800-> PRO A 63 HB3 - LEU A 64 HN [ 1.80 4.30] 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 0.15 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15] 811-> LEU A 64 HN - LEU A 64 HD1* [ 1.80 4.70] 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 0.00 - 1 [ 0.12 .. 0.12] 815-> GLU A 65 HA - GLU A 65 HG* [ 1.80 3.33] 0.00 0.11 0.01 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 - 2 [ 0.01 .. 0.11] 817-> GLU A 65 HB* - HIS A 66 HN [ 1.80 4.00] 0.00 0.00 0.00 0.00 0.09 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.19] 818-> GLU A 65 HG* - HIS A 66 HN [ 1.80 4.73] 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13] 821-> HIS A 70 HA - HIS A 71 HN [ 1.80 3.40] 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.05 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.11] 822-> HIS A 70 HB* - HIS A 71 HN [ 1.80 3.90] 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.05 0.00 0.02 - 4 [ 0.02 .. 0.12] ------------------------------------------- Number of Violations greater than 0.10 0 2 2 1 0 2 1 0 1 1 0 1 3 4 1 4 1 0 0 2 ------------------------------------------- ---- 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: 0 2 1 1 0 2 1 0 1 0 0 1 3 3 1 3 1 0 0 2 1.10 0.2 - 0.5 ang: 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0.20 > 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 Total : 32 30 27 25 18 23 22 24 18 26 25 21 27 36 40 26 20 28 28 26 26.10 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 : 0.095 0.108 0.221 0.141 0.086 0.192 0.123 0.085 0.153 0.256 0.099 0.105 0.193 0.210 0.108 0.227 0.152 0.087 0.095 0.175 0.256 Max Intra Viol : 0.095 0.108 0.221 0.029 0.023 0.145 0.123 0.049 0.000 0.256 0.099 0.105 0.111 0.051 0.074 0.227 0.088 0.015 0.095 0.079 0.256 Max Seque Viol : 0.054 0.100 0.083 0.091 0.086 0.192 0.044 0.072 0.033 0.079 0.000 0.092 0.042 0.126 0.108 0.107 0.152 0.070 0.076 0.028 0.192 Max Medium Viol : 0.012 0.009 0.027 0.021 0.020 0.086 0.010 0.046 0.037 0.006 0.024 0.041 0.013 0.015 0.017 0.012 0.000 0.033 0.058 0.015 0.086 Max Long Viol : 0.080 0.083 0.093 0.141 0.049 0.045 0.040 0.085 0.153 0.063 0.094 0.081 0.193 0.210 0.069 0.134 0.087 0.087 0.079 0.175 0.210 Average Violation : 0.001 0.001 0.001 0.001 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 0.001 0.001 0.001 0.00107 Avge Intra Viol : 0.001 0.000 0.002 0.000 0.000 0.001 0.001 0.000 0.000 0.002 0.001 0.001 0.001 0.000 0.000 0.002 0.001 0.000 0.001 0.001 0.00076 Avge Seque Viol : 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 0.00015 Avge Mediu Viol : 0.010 0.014 0.007 0.017 0.008 0.018 0.007 0.008 0.002 0.017 0.000 0.017 0.007 0.023 0.018 0.008 0.012 0.008 0.009 0.003 0.01072 Avge Long Viol : 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.002 0.001 0.002 0.003 0.002 0.001 0.001 0.001 0.002 0.001 0.00137 RMS Violation : 0.008 0.008 0.012 0.008 0.005 0.010 0.005 0.007 0.007 0.011 0.007 0.007 0.011 0.012 0.008 0.012 0.008 0.006 0.008 0.008 0.00870 RMS Intra : 0.009 0.007 0.019 0.002 0.002 0.011 0.008 0.004 0.000 0.017 0.007 0.007 0.009 0.004 0.005 0.017 0.009 0.001 0.007 0.006 0.00908 RMS Sequential : 0.001 0.001 0.002 0.001 0.001 0.006 0.001 0.003 0.003 0.000 0.002 0.003 0.001 0.001 0.002 0.001 0.000 0.003 0.004 0.001 0.00235 RMS Medium range : 0.020 0.033 0.022 0.036 0.024 0.052 0.015 0.021 0.009 0.031 0.000 0.034 0.016 0.047 0.036 0.028 0.040 0.023 0.023 0.009 0.02889 RMS Long range : 0.008 0.008 0.009 0.009 0.006 0.005 0.004 0.008 0.011 0.006 0.009 0.006 0.014 0.015 0.009 0.009 0.006 0.008 0.009 0.011 0.00888 Final --global-- Summary for 20 models, 862 NOEs/model, 17240 NOEs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ of viol : 18.463 Summ sq. viol : 1.305 Maximum viol : 0.256 Average viol : 0.00107 RMSD viol : 0.00870 Std. Dev. viol : 0.00864 RMS Intra : 0.00908 RMS Seque : 0.00235 RMS Medi : 0.02889 RMS Long : 0.00888