Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.02 0 0.0041 0.14 2 5.3 0.30 0 0.5627 2.92 2 1.10 1 0.0058 0.25 1 5.4 0.30 0 0.4630 2.75 3 1.18 0 0.0043 0.15 3 5.5 0.30 0 0.3682 2.67 4 1.21 1 0.0046 0.23 3 5.7 0.30 0 0.4973 2.75 5 1.24 1 0.0049 0.25 3 5.4 0.30 0 0.4651 2.84 6 1.26 2 0.0059 0.25 3 5.3 0.30 0 0.4382 2.63 7 1.27 1 0.0055 0.22 3 5.5 0.27 0 0.5601 3.20 8 1.32 0 0.0066 0.17 2 6.2 0.27 0 0.5459 3.63 9 1.34 1 0.0053 0.33 2 5.9 0.30 0 0.5376 3.19 10 1.46 0 0.0056 0.20 4 6.5 0.30 0 0.6412 3.19 11 1.46 1 0.0059 0.25 2 6.5 0.28 1 0.7564 5.41 12 1.47 2 0.0066 0.25 2 7.0 0.28 1 0.7460 5.12 13 1.48 1 0.0068 0.24 3 6.4 0.30 1 0.6894 5.00 14 1.50 1 0.0063 0.25 4 6.2 0.30 0 0.7434 4.95 15 1.50 2 0.0062 0.25 3 6.3 0.29 0 0.6189 3.45 16 1.52 1 0.0063 0.25 4 6.4 0.30 0 0.6630 3.36 17 1.53 3 0.0073 0.24 2 6.2 0.30 0 0.4647 2.84 18 1.58 1 0.0064 0.24 2 6.5 0.30 0 0.8022 4.79 19 1.59 1 0.0052 0.25 5 7.0 0.29 0 0.5211 3.07 20 1.66 3 0.0074 0.30 3 6.9 0.30 0 0.5611 3.11 Ave 1.39 1 0.0058 0.24 3 6.1 0.29 0 0.5823 3.54 +/- 0.17 1 0.0009 0.04 1 0.5 0.01 0 0.1180 0.91 Min 1.02 0 0.0041 0.14 1 5.3 0.27 0 0.3682 2.63 Max 1.66 3 0.0074 0.33 5 7.0 0.30 1 0.8022 5.41 Cut 0.20 0.20 5.00 Constraints violated in 1 or more structures: # mean max. 1 5 10 15 20 Upper QG1 VAL 20 - H LYS 114 4.13 1 0.02 0.30 * peak 2804 Upper HA VAL 75 - HG LEU 76 5.10 1 0.01 0.22 * peak 4648 Upper QB GLU 85 - QB ASN 86 4.49 4 0.06 0.25 + * + + peak 2522 Upper H GLU 94 - QG GLU 94 3.89 1 0.01 0.22 * peak 1216 Upper HD21 ASN 107 - HB3 GLU 109 5.25 1 0.01 0.21 * peak 1553 Upper QG PRO 124 - H ASP 125 4.03 1 0.01 0.22 * peak 1092 Upper HA PHE 132 - QD PHE 132 3.41 2 0.03 0.23 * + peak 155 Upper QG2 ILE 144 - QG GLU 145 4.67 1 0.03 0.33 * peak 4236 Upper H VAL 168 - H LEU 169 4.09 11 0.14 0.25 + *+ +++++++ + peak 1899 VdW O LEU 15 - C GLN 16 2.80 1 0.01 0.24 * VdW HA ASP 28 - CD PRO 29 2.60 12 0.20 0.29 +++++*+ ++ + ++ VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 +++++++++++++*++++++ VdW CG1 VAL 75 - C VAL 75 2.90 2 0.13 0.23 + * VdW N ASN 107 - OD1 ASN 107 2.75 1 0.01 0.23 * VdW CB ASN 107 - H SER 108 2.55 1 0.02 0.25 * VdW O ASN 120 - C LYS 121 2.80 2 0.08 0.21 * + VdW HA ASP 123 - CD PRO 124 2.60 6 0.17 0.30 + * + +++ VdW C ASP 123 - H ASP 125 2.45 1 0.03 0.24 * VdW H MET 126 - CG MET 126 2.55 1 0.01 0.21 * VdW CG PHE 132 - C PHE 132 2.90 3 0.06 0.23 + * + VdW O LYS 154 - C LYS 155 2.80 1 0.01 0.21 * VdW N LYS 156 - HD2 PRO 157 2.45 1 0.01 0.24 * VdW HA LYS 156 - CD PRO 157 2.60 1 0.04 0.24 * VdW CB LYS 156 - CD PRO 157 3.20 1 0.01 0.23 * VdW CG2 ILE 165 - CD1 ILE 165 3.00 1 0.01 0.20 * VdW N VAL 168 - CG2 VAL 168 2.85 1 0.01 0.22 * Angle PHI ASN 93 -85.00 -59.00 2 2.39 5.12 *+ Angle PHI TYR 95 -138.00 -108.00 1 1.80 5.41 * 9 violated distance constraints. 2 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.56 +/- 0.11 A (0.38..0.84 A; 20 structures) Average heavy atom RMSD to mean : 1.02 +/- 0.09 A (0.85..1.21 A; 20 structures)