Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.76 1 0.0037 0.22 2 3.5 0.24 0 0.3826 2.52 2 0.80 0 0.0016 0.05 3 3.7 0.24 0 0.4181 2.75 3 0.84 0 0.0022 0.09 2 3.8 0.24 0 0.4944 2.80 4 0.86 2 0.0036 0.16 2 3.8 0.30 0 0.4845 3.25 5 0.91 2 0.0043 0.22 4 3.9 0.25 0 0.3312 2.63 6 0.93 1 0.0034 0.20 2 4.0 0.25 0 0.3734 2.54 7 0.94 1 0.0047 0.29 3 3.2 0.27 0 0.4177 3.42 8 1.08 1 0.0046 0.27 3 4.3 0.29 0 0.3283 2.47 9 1.11 1 0.0055 0.34 4 4.2 0.28 0 0.4317 3.07 10 1.14 6 0.0076 0.24 2 4.8 0.25 0 0.4783 2.90 11 1.28 1 0.0042 0.23 5 4.7 0.29 0 0.3517 2.50 12 1.42 3 0.0093 0.53 4 4.7 0.28 0 0.3817 1.75 13 1.55 6 0.0069 0.21 5 5.3 0.28 0 0.4436 3.23 14 1.59 5 0.0078 0.34 5 5.1 0.40 0 0.5602 3.27 15 1.70 4 0.0077 0.39 6 6.3 0.30 0 0.4563 4.35 16 1.87 9 0.0108 0.39 4 5.9 0.37 0 0.4709 2.30 17 1.89 2 0.0053 0.29 8 6.7 0.34 0 0.4617 3.42 18 2.28 12 0.0151 0.74 2 7.0 0.30 0 0.6293 3.78 19 2.53 4 0.0113 0.53 7 5.6 0.30 3 1.2419 10.07 20 2.53 5 0.0103 0.53 8 7.5 0.30 0 0.4006 3.21 Ave 1.40 3 0.0065 0.31 4 4.9 0.29 0 0.4769 3.31 +/- 0.56 3 0.0034 0.16 2 1.2 0.04 1 0.1897 1.65 Min 0.76 0 0.0016 0.05 2 3.2 0.24 0 0.3283 1.75 Max 2.53 12 0.0151 0.74 8 7.5 0.40 3 1.2419 10.07 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HD1 TRP 135 - H LYS 136 4.19 8 0.09 0.29 + + * + ++ + + peak 1517 VdW HA THR 39 - CD PRO 40 2.60 20 0.27 0.30 +++++++++++++++++*++ VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.24 0.25 +++++++++++++++*++++ 1 violated distance constraint. 2 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 7.22 +/- 1.64 A (4.76..10.86 A; 20 structures) Average heavy atom RMSD to mean : 7.44 +/- 1.59 A (5.05..11.02 A; 20 structures)