Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.11 0 0.0048 0.20 3 5.2 0.29 0 0.4266 2.80 2 1.17 3 0.0068 0.35 2 4.6 0.29 0 0.4411 2.64 3 1.18 0 0.0037 0.12 3 5.4 0.30 0 0.5274 2.61 4 1.19 0 0.0038 0.10 3 5.5 0.29 0 0.5275 2.87 5 1.27 0 0.0063 0.19 2 5.6 0.30 1 0.7911 5.19 6 1.27 0 0.0040 0.11 1 5.7 0.29 1 0.7653 6.58 7 1.28 1 0.0065 0.35 2 5.7 0.29 0 0.6434 4.44 8 1.32 1 0.0064 0.35 3 5.9 0.29 0 0.4884 2.77 9 1.40 0 0.0054 0.20 4 6.3 0.29 0 0.5027 2.52 10 1.41 2 0.0077 0.29 2 5.9 0.30 0 0.6122 4.54 11 1.46 1 0.0062 0.25 1 6.3 0.30 1 0.8728 5.53 12 1.47 0 0.0061 0.20 4 6.5 0.29 0 0.5454 3.03 13 1.50 3 0.0070 0.27 3 6.3 0.29 0 0.5858 3.04 14 1.54 3 0.0081 0.34 2 6.6 0.29 0 0.4322 2.52 15 1.59 1 0.0061 0.25 3 7.2 0.27 0 0.5882 3.30 16 1.63 2 0.0067 0.25 3 7.3 0.30 0 0.5720 2.73 17 1.65 2 0.0060 0.25 5 6.3 0.28 1 0.7264 5.10 18 1.66 3 0.0085 0.32 4 6.5 0.29 0 0.5839 2.91 19 1.66 2 0.0067 0.23 3 6.9 0.29 0 0.5330 2.84 20 1.69 3 0.0083 0.35 4 6.4 0.30 0 0.4237 3.07 Ave 1.42 1 0.0063 0.25 3 6.1 0.29 0 0.5794 3.55 +/- 0.18 1 0.0014 0.08 1 0.7 0.01 0 0.1232 1.18 Min 1.11 0 0.0037 0.10 1 4.6 0.27 0 0.4237 2.52 Max 1.69 3 0.0085 0.35 5 7.3 0.30 1 0.8728 6.58 Cut 0.20 0.20 5.00 Constraints violated in 1 or more structures: # mean max. 1 5 10 15 20 Upper H LEU 15 - HB2 LEU 15 3.34 1 0.02 0.32 * peak 74 Upper HA LEU 15 - QD2 LEU 15 3.23 1 0.04 0.20 * peak 50 Upper HA LEU 15 - H GLN 16 3.20 5 0.08 0.35 + ++ +* peak 220 Upper QG1 VAL 20 - H LYS 114 4.08 4 0.05 0.25 + * + + peak 2804 Upper H GLN 27 - QB ASP 28 4.45 1 0.02 0.28 * peak 1052 Upper HA VAL 75 - HG LEU 76 5.03 2 0.03 0.27 * + peak 4648 Upper H MET 77 - QE MET 77 4.28 1 0.02 0.22 * peak 4340 Upper QB GLU 85 - QB ASN 86 4.44 2 0.04 0.30 + * peak 2522 Upper HA ASP 123 - H ASP 125 3.87 1 0.04 0.34 * peak 1087 Upper HA PHE 132 - QD PHE 132 3.41 1 0.01 0.22 * peak 155 Upper H VAL 168 - H LEU 169 4.09 8 0.10 0.25 + ++ ++ +*+ peak 1899 VdW N LEU 15 - CD1 LEU 15 3.05 1 0.01 0.23 * VdW O PHE 26 - C GLN 27 2.80 1 0.01 0.21 * VdW HA ASP 28 - CD PRO 29 2.60 14 0.21 0.30 + + + +++ +++ ++++* VdW CG2 ILE 32 - C ILE 32 2.90 1 0.09 0.23 * VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 +++++++++++++++*++++ VdW N LEU 55 - CD2 LEU 55 3.05 1 0.01 0.20 * VdW CG GLU 85 - C GLU 85 2.90 1 0.03 0.24 * VdW CG MET 117 - C MET 117 2.90 4 0.11 0.24 + + *+ VdW O ASN 120 - C LYS 121 2.80 1 0.06 0.24 * VdW HA ASP 123 - CD PRO 124 2.60 5 0.15 0.28 * + ++ + VdW CG PHE 132 - C PHE 132 2.90 3 0.04 0.25 + * + VdW N LYS 156 - HD2 PRO 157 2.45 1 0.01 0.20 * VdW HA LYS 156 - CD PRO 157 2.60 1 0.05 0.25 * VdW CB LYS 156 - CD PRO 157 3.20 1 0.01 0.27 * VdW CG2 ILE 165 - CD1 ILE 165 3.00 1 0.01 0.24 * VdW N VAL 168 - CG2 VAL 168 2.85 1 0.01 0.22 * Angle PHI ASN 93 -85.00 -59.00 3 2.58 5.53 + * + Angle PHI TYR 95 -138.00 -108.00 1 1.98 6.58 * 11 violated distance constraints. 2 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.56 +/- 0.08 A (0.43..0.80 A; 20 structures) Average heavy atom RMSD to mean : 1.03 +/- 0.09 A (0.83..1.24 A; 20 structures)