Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.68 1 0.0083 0.20 4 6.9 0.30 0 0.6119 3.31 2 2.15 0 0.0094 0.20 4 8.2 0.30 0 0.8443 3.43 3 2.16 0 0.0093 0.20 3 8.0 0.30 0 0.8889 4.98 4 2.23 1 0.0091 0.24 4 8.7 0.30 0 0.7348 3.75 5 2.28 2 0.0111 0.35 3 8.0 0.30 0 0.8139 3.95 6 2.30 0 0.0090 0.20 6 8.5 0.30 0 0.7493 3.69 7 2.35 4 0.0117 0.27 2 8.1 0.25 0 0.8653 3.62 8 2.52 2 0.0114 0.35 3 8.7 0.30 0 0.8585 4.62 9 2.54 1 0.0104 0.21 7 8.5 0.30 0 0.9323 3.99 10 2.54 2 0.0105 0.48 4 8.5 0.30 1 1.0165 5.59 11 2.56 2 0.0112 0.52 4 8.4 0.31 0 0.9562 4.76 12 2.63 4 0.0118 0.40 4 8.7 0.30 0 0.8591 4.72 13 2.66 1 0.0111 0.21 7 8.8 0.31 0 0.8665 4.02 14 2.68 2 0.0123 0.35 2 9.0 0.29 1 1.0076 5.28 15 2.75 2 0.0112 0.28 5 9.0 0.31 0 0.8601 4.55 16 2.80 1 0.0113 0.26 5 9.5 0.30 2 1.0046 6.68 17 2.93 3 0.0123 0.32 5 9.8 0.27 0 0.7816 3.56 18 2.93 6 0.0141 0.52 3 9.1 0.28 0 0.8874 4.86 19 2.94 3 0.0106 0.28 7 9.7 0.30 0 0.6668 3.59 20 2.96 2 0.0120 0.39 6 10.0 0.30 0 0.9090 4.62 Ave 2.53 2 0.0109 0.31 4 8.7 0.30 0 0.8557 4.38 +/- 0.32 1 0.0013 0.10 2 0.7 0.01 1 0.1050 0.83 Min 1.68 0 0.0083 0.20 2 6.9 0.25 0 0.6119 3.31 Max 2.96 6 0.0141 0.52 7 10.0 0.31 2 1.0165 6.68 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA GLU 83 - HD22 ASN 86 4.99 6 0.13 0.25 + + ++ * + peak 2212 VdW HA ASP 28 - CD PRO 29 2.60 19 0.23 0.26 ++++++ ++*++++++++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 ++++++++++*+++++++++ VdW CG1 VAL 75 - C VAL 75 2.90 12 0.18 0.23 +++ ++ ++ + +++ * VdW HA ASP 123 - CD PRO 124 2.60 11 0.21 0.31 + + +++*++ + + + 1 violated distance constraint. 0 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.43 +/- 0.09 A (0.29..0.60 A; 20 structures) Average heavy atom RMSD to mean : 0.93 +/- 0.08 A (0.73..1.07 A; 20 structures)