Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.85 0 0.0071 0.20 4 7.6 0.30 0 0.7443 4.46 2 1.92 0 0.0069 0.20 4 7.1 0.29 1 0.8365 5.35 3 1.99 1 0.0084 0.21 4 7.5 0.30 0 0.8042 3.67 4 1.99 0 0.0080 0.19 4 7.3 0.29 0 0.7798 4.39 5 2.01 1 0.0085 0.27 3 7.8 0.28 0 0.9759 4.14 6 2.12 2 0.0108 0.28 2 7.8 0.29 0 0.9101 3.95 7 2.16 2 0.0088 0.28 4 7.9 0.30 1 0.9417 5.32 8 2.25 0 0.0087 0.18 2 8.3 0.30 1 0.9124 5.19 9 2.35 1 0.0104 0.27 3 8.3 0.28 1 0.9858 5.50 10 2.36 1 0.0088 0.21 5 8.5 0.29 0 0.9105 4.54 11 2.39 2 0.0091 0.27 4 9.1 0.30 0 0.9486 4.39 12 2.40 2 0.0117 0.55 4 7.9 0.30 1 0.8036 5.16 13 2.42 3 0.0101 0.31 4 8.0 0.30 1 0.9666 5.29 14 2.49 5 0.0102 0.25 5 8.4 0.29 0 0.8020 3.92 15 2.50 2 0.0102 0.28 3 8.7 0.30 0 0.9819 4.58 16 2.54 2 0.0102 0.41 2 8.9 0.27 1 0.9866 5.43 17 2.55 1 0.0099 0.23 4 8.9 0.30 0 0.8433 4.54 18 2.61 2 0.0112 0.30 4 8.0 0.30 1 1.0978 5.05 19 2.65 2 0.0106 0.29 3 9.1 0.30 1 0.9005 5.03 20 2.73 2 0.0105 0.23 6 8.8 0.31 0 0.8445 4.75 Ave 2.31 2 0.0095 0.27 4 8.2 0.30 0 0.8988 4.73 +/- 0.26 1 0.0013 0.08 1 0.6 0.01 0 0.0873 0.54 Min 1.85 0 0.0069 0.18 2 7.1 0.27 0 0.7443 3.67 Max 2.73 5 0.0117 0.55 6 9.1 0.31 1 1.0978 5.50 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 3.28 3 0.04 0.27 + * + peak 220 Upper HA ASN 19 - QQG VAL 75 4.01 1 0.02 0.28 * peak 2784 Upper QB ASN 19 - H GLY 78 4.80 1 0.01 0.22 * peak 950 Upper H VAL 20 - QB LEU 76 3.96 1 0.02 0.23 * peak 797 Upper QG1 VAL 20 - H LYS 114 4.08 2 0.03 0.29 + * peak 2804 Upper H THR 39 - HB THR 39 3.58 3 0.04 0.25 + * + peak 560 Upper QG2 THR 39 - HD3 PRO 40 3.79 3 0.08 0.41 + * + peak 3172 Upper HA ILE 42 - QQG VAL 75 3.99 1 0.12 0.22 * peak 2793 Upper HA ILE 42 - QQD LEU 76 4.17 1 0.02 0.25 * peak 4647 Upper H VAL 43 - HB VAL 75 4.31 1 0.01 0.23 * peak 2781 Upper HB2 PHE 50 - HB ILE 63 5.47 1 0.05 0.23 * peak 1566 Upper HA GLN 51 - QE PHE 53 5.12 1 0.04 0.27 * peak 679 Upper H ARG 58 - QQD LEU 59 5.44 1 0.01 0.22 * peak 2174 Upper QQD LEU 76 - H MET 77 3.90 1 0.05 0.21 * peak 87 Upper H MET 77 - QE MET 77 4.15 2 0.03 0.22 + * peak 4340 Upper QG MET 77 - H GLY 78 4.10 1 0.01 0.23 * peak 4697 Upper QQG VAL 79 - H LEU 87 4.21 2 0.07 0.22 + * peak 2965 Upper H GLU 85 - HG3 GLU 85 4.15 1 0.01 0.26 * peak 466 Upper H ASN 107 - HD22 ASN 107 5.30 1 0.03 0.55 * peak 1770 Upper H ASN 107 - H GLU 109 4.21 1 0.02 0.36 * peak 1771 Upper HA MET 111 - QQG VAL 113 4.42 1 0.18 0.20 * peak 2803 Upper QG2 ILE 144 - HA LYS 148 3.77 1 0.07 0.28 * peak 1121 VdW HA ASP 28 - CD PRO 29 2.60 20 0.28 0.31 +++++++++++++++++++* VdW H LEU 36 - H ASP 37 1.90 2 0.03 0.26 + * VdW HA THR 39 - CD PRO 40 2.60 19 0.28 0.30 +++++++*+++++++ ++++ VdW CG1 VAL 75 - C VAL 75 2.90 10 0.19 0.24 + + + + +++* + + VdW CG GLU 91 - C GLU 91 2.90 1 0.01 0.23 * VdW O ASN 120 - C LYS 121 2.80 4 0.08 0.23 * + + + VdW HA ASP 123 - CD PRO 124 2.60 6 0.17 0.30 + + + ++ * VdW CG PHE 132 - C PHE 132 2.90 4 0.04 0.23 ++ * + VdW HA LYS 156 - CD PRO 157 2.60 5 0.08 0.29 + + + + * VdW CG2 ILE 165 - CD1 ILE 165 3.00 2 0.02 0.24 +* VdW O HIS 167 - C VAL 168 2.80 1 0.01 0.23 * Angle PHI VAL 34 -81.00 -61.00 1 3.17 5.43 * Angle PSI VAL 34 -51.00 -31.00 6 4.48 5.35 * + ++ ++ Angle PHI ASN 93 -85.00 -59.00 1 3.08 5.50 * Angle PHI PHE 143 -76.00 -56.00 1 1.12 5.32 * 22 violated distance constraints. 4 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.49 +/- 0.08 A (0.35..0.60 A; 20 structures) Average heavy atom RMSD to mean : 0.97 +/- 0.08 A (0.82..1.08 A; 20 structures)