Residual Violations greater than 0.10 20-> ASP 14 HN - ASP 14 HB2 [ 1.80 3.60] 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] 46-> ASP 15 HN - ASP 15 HB3 [ 1.80 3.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32] 61-> ASP 14 HN - ASP 15 HN [ 1.80 3.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11] 80-> VAL 55 HN - VAL 55 HB [ 1.80 3.42] 0.39 0.36 0.00 0.28 0.40 0.36 0.25 0.40 0.40 0.39 0.00 0.00 0.24 0.00 0.00 0.24 0.00 0.37 0.40 0.00 - 13 [ 0.24 .. 0.40] 88-> VAL 55 HB - LYS 56 HN [ 1.80 3.29] 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.73 0.00 0.71 0.73 0.00 0.74 0.00 0.00 0.64 - 7 [ 0.64 .. 0.74] 99-> THR 16 HN - THR 16 HB [ 1.80 3.53] 0.00 0.11 0.09 0.00 0.00 0.00 0.11 0.12 0.10 0.10 0.00 0.00 0.11 0.16 0.00 0.10 0.00 0.09 0.11 0.00 - 11 [ 0.09 .. 0.16] 108-> PHE 3 HN - PHE 3 HB2 [ 1.80 3.87] 0.00 0.09 0.06 0.00 0.09 0.06 0.00 0.00 0.10 0.11 0.00 0.09 0.08 0.00 0.00 0.00 0.10 0.00 0.10 0.00 - 10 [ 0.06 .. 0.11] 192-> ASN 40 HB2 - TRP 41 HN [ 1.80 4.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 - 2 [ 0.05 .. 0.17] 202-> ILE 58 HN - ILE 58 HB [ 1.80 3.29] 0.00 0.00 0.00 0.00 0.38 0.35 0.00 0.00 0.40 0.00 0.00 0.00 0.39 0.37 0.35 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.35 .. 0.40] 211-> LYS 56 HN - LYS 56 HB3 [ 1.80 3.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.21 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 [ 0.21 .. 0.21] 256-> THR 16 HB - TYR 17 HN [ 1.80 3.79] 0.00 0.34 0.25 0.00 0.00 0.00 0.13 0.13 0.19 0.28 0.00 0.00 0.34 0.17 0.00 0.31 0.00 0.27 0.24 0.00 - 11 [ 0.13 .. 0.34] 276-> ILE 58 HB - LEU 59 HN [ 1.80 3.66] 0.49 0.40 0.32 0.45 0.00 0.00 0.45 0.32 0.00 0.45 0.31 0.38 0.00 0.00 0.00 0.30 0.44 0.48 0.34 0.47 - 14 [ 0.30 .. 0.49] 301-> THR 7 HB - VAL 55 HB [ 1.80 4.69] 0.10 0.08 0.00 0.08 0.08 0.07 0.02 0.14 0.04 0.07 0.00 0.00 0.01 0.00 0.00 0.04 0.00 0.10 0.10 0.00 - 13 [ 0.01 .. 0.14] 487-> ASN 38 HN - TRP 41 HE3 [ 1.80 4.21] 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.20 - 3 [ 0.07 .. 0.20] 586-> LYS 56 HN - LYS 56 HB* [ 1.80 3.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.16 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 [ 0.16 .. 0.16] ------------------------------------------- Number of Violations greater than 0.10 2 4 3 2 2 2 7 5 4 4 2 2 4 5 2 4 2 3 7 3 ------------------------------------------- ---- 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 1 0 0 0 0 4 3 2 1 0 0 1 3 0 0 0 0 4 1 1.00 0.2 - 0.5 ang: 2 3 2 2 2 2 3 2 2 3 1 1 3 1 1 4 1 3 3 1 2.10 > 0.5 ang: 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 0 1 0 0 1 0.35 Total : 11 15 11 8 10 12 14 13 13 12 8 9 13 12 9 14 9 13 19 10 11.75 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 : 0.490 0.398 0.721 0.454 0.396 0.355 0.450 0.402 0.401 0.454 0.688 0.731 0.391 0.709 0.726 0.318 0.737 0.480 0.397 0.639 0.737 Max Intra Viol : 0.390 0.363 0.090 0.281 0.396 0.355 0.253 0.402 0.401 0.391 0.011 0.090 0.391 0.366 0.355 0.318 0.099 0.370 0.397 0.000 0.402 Max Seque Viol : 0.490 0.398 0.721 0.454 0.033 0.063 0.450 0.317 0.192 0.454 0.688 0.731 0.337 0.709 0.726 0.314 0.737 0.480 0.337 0.639 0.737 Max Medium Viol : 0.067 0.068 0.023 0.043 0.047 0.006 0.032 0.078 0.059 0.065 0.063 0.067 0.078 0.055 0.060 0.049 0.050 0.056 0.101 0.200 0.200 Max Long Viol : 0.099 0.082 0.000 0.076 0.080 0.065 0.039 0.136 0.044 0.071 0.000 0.000 0.047 0.012 0.015 0.056 0.019 0.099 0.102 0.039 0.136 Average Violation : 0.002 0.003 0.003 0.002 0.002 0.002 0.003 0.002 0.002 0.003 0.002 0.002 0.002 0.003 0.002 0.003 0.003 0.003 0.003 0.003 0.00241 Avge Intra Viol : 0.003 0.004 0.001 0.002 0.006 0.005 0.005 0.004 0.006 0.004 0.000 0.001 0.005 0.003 0.002 0.004 0.001 0.003 0.004 0.000 0.00322 Avge Seque Viol : 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.001 0.002 0.00049 Avge Mediu Viol : 0.010 0.014 0.024 0.008 0.001 0.002 0.010 0.009 0.004 0.015 0.019 0.022 0.007 0.020 0.014 0.012 0.022 0.015 0.014 0.021 0.01317 Avge Long Viol : 0.001 0.001 0.000 0.000 0.000 0.001 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.001 0.001 0.000 0.00038 RMS Violation : 0.026 0.028 0.035 0.022 0.024 0.021 0.026 0.023 0.026 0.028 0.031 0.034 0.025 0.035 0.033 0.025 0.036 0.028 0.026 0.034 0.02869 RMS Intra : 0.031 0.031 0.009 0.022 0.045 0.040 0.032 0.034 0.046 0.033 0.001 0.007 0.038 0.032 0.028 0.033 0.009 0.030 0.034 0.000 0.03004 RMS Sequential : 0.006 0.007 0.002 0.004 0.004 0.000 0.003 0.006 0.005 0.005 0.005 0.005 0.007 0.005 0.005 0.004 0.004 0.005 0.009 0.016 0.00622 RMS Medium range : 0.065 0.070 0.110 0.060 0.005 0.011 0.062 0.046 0.026 0.071 0.101 0.110 0.045 0.099 0.096 0.058 0.114 0.073 0.059 0.105 0.07625 RMS Long range : 0.007 0.006 0.000 0.005 0.005 0.005 0.004 0.009 0.004 0.005 0.000 0.000 0.004 0.001 0.001 0.005 0.001 0.007 0.008 0.003 0.00482 Final --global-- Summary for 20 models, 589 NOEs/model, 11780 NOEs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ of viol : 28.335 Summ sq. viol : 9.699 Maximum viol : 0.737 Average viol : 0.00241 RMSD viol : 0.02869 Std. Dev. viol : 0.02859 RMS Intra : 0.03004 RMS Seque : 0.00622 RMS Medi : 0.07625 RMS Long : 0.00482