Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.96 0 0.0080 0.18 5 7.5 0.30 0 0.7307 4.37 2 2.03 1 0.0093 0.20 2 7.6 0.30 0 0.8360 4.63 3 2.16 0 0.0087 0.19 4 7.9 0.31 0 0.7826 4.11 4 2.16 0 0.0094 0.20 3 7.4 0.30 1 0.8837 5.13 5 2.24 1 0.0094 0.31 4 7.5 0.30 1 0.8450 5.16 6 2.25 3 0.0096 0.27 4 8.2 0.28 0 0.9364 4.40 7 2.34 1 0.0087 0.28 7 7.9 0.31 0 0.7926 4.34 8 2.39 0 0.0086 0.20 5 8.7 0.30 0 0.9399 4.59 9 2.41 2 0.0108 0.25 4 8.2 0.30 1 0.8551 5.19 10 2.42 1 0.0104 0.36 4 8.3 0.31 0 0.8153 4.25 11 2.60 2 0.0105 0.28 5 9.4 0.30 0 0.7876 4.33 12 2.61 0 0.0097 0.19 5 8.8 0.30 0 0.9559 4.85 13 2.63 3 0.0106 0.28 4 8.6 0.29 2 1.1077 5.53 14 2.71 0 0.0096 0.20 7 9.0 0.31 0 0.7993 3.79 15 2.77 0 0.0089 0.20 7 9.7 0.29 1 0.9871 6.44 16 2.79 3 0.0125 0.47 2 9.1 0.30 3 1.0952 5.69 17 2.80 1 0.0128 0.67 3 8.6 0.29 0 0.8669 3.78 18 2.82 3 0.0116 0.27 4 9.3 0.30 2 1.1028 5.83 19 2.83 3 0.0112 0.29 4 9.5 0.30 2 0.9591 5.51 20 2.88 3 0.0119 0.39 5 9.6 0.30 0 0.7868 4.60 Ave 2.49 1 0.0101 0.28 4 8.5 0.30 1 0.8933 4.83 +/- 0.28 1 0.0013 0.12 1 0.7 0.01 1 0.1109 0.70 Min 1.96 0 0.0080 0.18 2 7.4 0.28 0 0.7307 3.78 Max 2.88 3 0.0128 0.67 7 9.7 0.31 3 1.1077 6.44 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 3.24 1 0.02 0.31 * peak 220 Upper H GLN 16 - QG GLN 16 3.63 1 0.03 0.39 * peak 223 Upper QD PHE 26 - HA ILE 32 4.41 1 0.01 0.22 * peak 673 Upper H THR 39 - HB THR 39 3.54 1 0.01 0.28 * peak 560 Upper QG2 THR 39 - HD3 PRO 40 3.79 1 0.03 0.29 * peak 3172 Upper HA GLN 51 - QE PHE 53 5.12 2 0.05 0.27 + * peak 679 Upper QB GLN 51 - QD PHE 53 4.04 1 0.02 0.25 * peak 124 Upper QD PHE 53 - H CYS 62 5.50 1 0.02 0.28 * peak 927 Upper HA VAL 75 - HG LEU 76 4.88 1 0.02 0.36 * peak 4648 Upper QQG VAL 79 - H LEU 87 4.21 1 0.09 0.20 * peak 2965 Upper HA GLU 83 - QD2 ASN 86 4.23 1 0.07 0.20 * peak 2212 Upper H GLU 85 - HG3 GLU 85 4.13 3 0.04 0.28 + * + peak 466 Upper QB ASN 86 - QQG VAL 90 4.20 2 0.02 0.21 * + peak 2360 Upper H THR 99 - HB THR 99 3.34 3 0.11 0.21 + + * peak 2201 Upper H ASN 107 - HD22 ASN 107 5.24 1 0.03 0.67 * peak 1770 Upper HA MET 111 - QQG VAL 113 4.42 1 0.17 0.20 * peak 2803 Upper HD1 TRP 135 - H LYS 136 4.75 1 0.02 0.47 * peak 1517 Upper HH2 TRP 135 - QB LEU 138 4.54 1 0.01 0.24 * peak 369 Upper QG2 ILE 144 - HA LYS 148 3.77 2 0.08 0.28 * + peak 1121 Upper H VAL 168 - H LEU 169 4.15 1 0.10 0.28 * peak 1899 VdW O LEU 15 - C GLN 16 2.80 1 0.02 0.21 * VdW CG GLN 16 - C GLN 16 2.90 1 0.01 0.22 * VdW HA ASP 28 - CD PRO 29 2.60 20 0.28 0.31 ++++++*+++++++++++++ VdW CG2 ILE 32 - C ILE 32 2.90 1 0.13 0.21 * VdW H LEU 36 - H ASP 37 1.90 1 0.01 0.22 * 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 HB2 TYR 60 - HD2 PRO 61 2.00 1 0.01 0.23 * VdW CG1 VAL 75 - C VAL 75 2.90 11 0.20 0.24 + + +++ ++ +*+ + VdW CG GLU 91 - C GLU 91 2.90 2 0.02 0.23 + * VdW HG2 GLU 91 - C GLU 91 2.50 1 0.02 0.28 * VdW O GLU 91 - N TYR 95 2.75 1 0.03 0.22 * VdW HD3 ARG 104 - HH11 ARG 104 1.95 1 0.01 0.25 * VdW O ARG 104 - O ASN 107 2.60 1 0.08 0.28 * VdW O ASN 120 - C LYS 121 2.80 1 0.03 0.23 * VdW HA ASP 123 - CD PRO 124 2.60 13 0.21 0.31 + *++++++ + ++ + + VdW CG PHE 132 - C PHE 132 2.90 4 0.05 0.22 +* + + VdW HA LYS 156 - CD PRO 157 2.60 2 0.05 0.24 + * VdW O HIS 167 - HG22 VAL 168 2.30 1 0.01 0.22 * VdW N VAL 168 - CG1 VAL 168 2.85 1 0.01 0.21 * VdW N VAL 168 - CG2 VAL 168 2.85 1 0.01 0.22 * VdW CG2 VAL 168 - C VAL 168 2.90 1 0.03 0.29 * VdW N LEU 169 - CD1 LEU 169 3.05 1 0.02 0.23 * Angle PHI VAL 34 -81.00 -61.00 1 2.92 5.51 * Angle PSI VAL 34 -51.00 -31.00 6 4.48 5.21 ++ + + *+ Angle PHI ASN 93 -85.00 -59.00 2 2.74 5.69 + * Angle PHI TYR 95 -138.00 -108.00 1 2.57 6.44 * Angle PHI LYS 136 -73.00 -53.00 1 0.48 5.01 * Angle PHI PHE 143 -76.00 -56.00 2 1.19 5.83 + * 20 violated distance constraints. 6 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.53 +/- 0.10 A (0.37..0.78 A; 20 structures) Average heavy atom RMSD to mean : 1.03 +/- 0.10 A (0.88..1.31 A; 20 structures)