Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.08 0 0.0041 0.12 2 5.2 0.30 0 0.5399 2.75 2 1.10 0 0.0053 0.20 2 5.3 0.27 0 0.4766 2.56 3 1.12 0 0.0035 0.09 2 5.4 0.26 0 0.4914 2.59 4 1.15 0 0.0053 0.19 2 5.1 0.30 1 0.6586 5.24 5 1.17 0 0.0042 0.09 3 5.7 0.27 0 0.5569 3.34 6 1.25 0 0.0050 0.19 2 6.1 0.30 1 0.6740 5.18 7 1.25 0 0.0056 0.19 3 5.5 0.30 0 0.5506 3.57 8 1.34 0 0.0051 0.15 3 6.3 0.30 0 0.5272 2.74 9 1.34 1 0.0064 0.21 3 5.5 0.29 0 0.6828 4.14 10 1.46 0 0.0043 0.12 3 6.0 0.29 1 0.7840 5.08 11 1.46 0 0.0066 0.20 2 6.1 0.29 0 0.5358 2.87 12 1.46 1 0.0061 0.35 2 6.1 0.30 0 0.6537 3.83 13 1.47 1 0.0067 0.29 3 6.6 0.30 0 0.6584 3.32 14 1.49 1 0.0056 0.21 3 6.4 0.30 1 0.7778 5.83 15 1.49 0 0.0051 0.12 2 6.3 0.29 0 0.7350 4.46 16 1.53 0 0.0053 0.19 4 6.3 0.30 1 0.7347 5.04 17 1.59 0 0.0055 0.17 4 7.1 0.29 0 0.5540 3.07 18 1.60 1 0.0070 0.24 4 6.9 0.29 0 0.6227 3.75 19 1.62 1 0.0054 0.21 4 6.8 0.29 0 0.6712 3.20 20 1.65 1 0.0061 0.20 2 6.7 0.30 1 0.8168 5.42 Ave 1.38 0 0.0054 0.19 3 6.1 0.29 0 0.6351 3.90 +/- 0.18 0 0.0009 0.06 1 0.6 0.01 0 0.0996 1.04 Min 1.08 0 0.0035 0.09 2 5.1 0.26 0 0.4766 2.56 Max 1.65 1 0.0070 0.35 4 7.1 0.30 1 0.8168 5.83 Cut 0.20 0.20 5.00 Constraints violated in 1 or more structures: # mean max. 1 5 10 15 20 Upper HA LEU 15 - H GLN 16 3.20 1 0.02 0.35 * peak 220 Upper QG1 VAL 20 - H LYS 114 4.08 1 0.03 0.29 * peak 2804 Upper H ASN 107 - HD22 ASN 107 5.17 1 0.02 0.21 * peak 1770 Upper QG PRO 124 - H ASP 125 4.03 1 0.01 0.24 * peak 1092 Upper QG2 ILE 144 - QG GLU 145 4.61 2 0.03 0.21 * + peak 4236 Upper QG2 ILE 144 - HA LYS 148 3.88 1 0.05 0.21 * peak 1121 VdW HA ASP 28 - CD PRO 29 2.60 16 0.23 0.30 ++ *++++++ +++++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 ++++++*+++++++++++++ VdW CG ARG 54 - C ARG 54 2.90 1 0.01 0.21 * VdW HD3 ARG 54 - HH11 ARG 54 1.95 1 0.01 0.24 * VdW N TYR 60 - CG TYR 60 2.85 1 0.06 0.20 * VdW CG GLU 85 - C GLU 85 2.90 1 0.01 0.24 * VdW O ASN 107 - CB SER 108 2.90 2 0.03 0.20 + * VdW CG MET 117 - C MET 117 2.90 1 0.08 0.24 * VdW O ASN 120 - C LYS 121 2.80 2 0.05 0.23 * + VdW HA ASP 123 - CD PRO 124 2.60 6 0.15 0.28 + + * + ++ VdW C ASP 123 - H ASP 125 2.45 1 0.02 0.22 * VdW CG PHE 132 - C PHE 132 2.90 3 0.03 0.23 + +* Angle PSI VAL 34 -51.00 -31.00 1 0.92 5.08 * Angle PHI ASN 93 -85.00 -59.00 3 2.78 5.24 * + + Angle PHI TYR 95 -138.00 -108.00 2 2.38 5.83 * + 6 violated distance constraints. 3 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.58 +/- 0.11 A (0.38..0.90 A; 20 structures) Average heavy atom RMSD to mean : 1.06 +/- 0.08 A (0.93..1.25 A; 20 structures)