Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.02 1 0.0090 0.25 4 7.2 0.30 2 0.9122 5.20 2 2.06 0 0.0096 0.20 2 7.7 0.31 0 0.8184 4.30 3 2.13 0 0.0090 0.18 3 7.6 0.31 0 0.8716 4.04 4 2.21 2 0.0101 0.24 3 7.7 0.30 1 0.8477 5.01 5 2.29 0 0.0093 0.18 5 8.0 0.30 0 0.8626 4.33 6 2.29 3 0.0100 0.24 3 8.3 0.29 0 0.8294 3.28 7 2.47 2 0.0106 0.35 4 8.0 0.29 0 0.9562 4.23 8 2.61 2 0.0105 0.32 6 8.7 0.30 0 0.8219 4.19 9 2.67 3 0.0110 0.24 4 9.0 0.31 0 0.9172 4.96 10 2.69 1 0.0106 0.24 5 9.0 0.30 1 0.9481 5.98 11 2.71 1 0.0103 0.24 6 10.0 0.29 0 0.9336 4.41 12 2.75 5 0.0122 0.35 2 9.4 0.30 0 0.8689 4.11 13 2.85 4 0.0118 0.31 6 8.8 0.30 0 0.8756 4.63 14 2.86 4 0.0125 0.29 4 8.6 0.29 0 0.8486 3.96 15 2.87 2 0.0120 0.34 4 8.9 0.30 0 0.8870 4.09 16 2.94 2 0.0120 0.30 6 10.1 0.30 0 0.9454 4.92 17 3.05 3 0.0119 0.38 4 10.0 0.30 0 0.9820 4.92 18 3.09 4 0.0129 0.36 3 9.5 0.30 2 1.1293 5.67 19 3.12 5 0.0125 0.30 4 10.2 0.30 2 1.0209 6.37 20 3.13 5 0.0129 0.28 6 9.5 0.30 0 0.8640 4.16 Ave 2.64 2 0.0110 0.28 4 8.8 0.30 0 0.9070 4.64 +/- 0.36 2 0.0013 0.06 1 0.9 0.01 1 0.0743 0.73 Min 2.02 0 0.0090 0.18 2 7.2 0.29 0 0.8184 3.28 Max 3.13 5 0.0129 0.38 6 10.2 0.31 2 1.1293 6.37 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 0.30 * peak 74 Upper HA LEU 15 - HG LEU 15 4.00 1 0.01 0.26 * peak 3524 Upper HA LEU 15 - QD2 LEU 15 3.14 1 0.06 0.24 * peak 50 Upper HA LEU 15 - H GLN 16 3.20 2 0.04 0.35 * + peak 220 Upper QG1 VAL 20 - H LYS 114 3.97 2 0.03 0.36 + * peak 2804 Upper H GLN 27 - QB ASP 28 4.40 1 0.02 0.29 * peak 1052 Upper H GLN 27 - HB2 ASP 28 5.03 1 0.01 0.22 * peak 1052 Upper H GLN 27 - HB3 ASP 28 5.03 1 0.03 0.24 * peak 2322 Upper H VAL 34 - QQD LEU 36 5.22 1 0.03 0.24 * peak 1947 Upper H MET 35 - QE MET 35 4.62 1 0.12 0.27 * peak 2897 Upper QG MET 35 - QQD LEU 87 4.06 1 0.01 0.21 * peak 4319 Upper QE MET 35 - QB ASN 86 3.95 1 0.06 0.22 * peak 1864 Upper HB2 SER 44 - HB2 GLU 105 4.14 1 0.01 0.27 * peak 4587 Upper H THR 46 - QQG VAL 75 4.78 1 0.04 0.24 * peak 3944 Upper H THR 46 - QG GLU 105 4.12 1 0.01 0.20 * peak 2380 Upper HA GLN 51 - QE PHE 53 5.12 1 0.04 0.31 * peak 679 Upper QB GLN 51 - QD PHE 53 4.04 1 0.01 0.20 * peak 124 Upper H ARG 58 - QQD LEU 59 5.39 1 0.01 0.28 * peak 2174 Upper HG2 MET 77 - H GLY 78 4.92 1 0.09 0.21 * peak 4697 Upper QQG VAL 79 - H LEU 87 4.21 2 0.12 0.22 + * peak 2965 Upper H GLU 85 - HG2 GLU 85 4.08 2 0.03 0.34 *+ peak 465 Upper H GLU 85 - HG3 GLU 85 4.08 2 0.03 0.32 * + peak 466 Upper HD21 ASN 86 - HB VAL 90 4.84 1 0.04 0.30 * peak 2125 Upper HB2 TYR 95 - QD TYR 116 4.18 1 0.02 0.22 * peak 96 Upper H THR 99 - HB THR 99 3.30 6 0.07 0.24 + *+ + + + peak 2201 Upper QQG VAL 103 - H SER 108 4.18 1 0.17 0.28 * peak 609 Upper HA MET 111 - QQG VAL 113 4.42 2 0.17 0.21 + * peak 2803 Upper HA ASP 123 - H ASP 125 3.87 1 0.03 0.26 * peak 1087 Upper HD1 TRP 130 - H ASN 131 5.00 1 0.02 0.38 * peak 321 Upper HZ3 TRP 130 - QD PHE 132 3.97 1 0.02 0.21 * peak 385 Upper QG2 ILE 144 - HA LYS 148 3.77 1 0.07 0.27 * peak 1121 Upper H VAL 168 - H LEU 169 4.09 7 0.10 0.25 + + ++ + *+ peak 1899 VdW N LEU 15 - CD1 LEU 15 3.05 1 0.01 0.26 * VdW HA ASP 28 - CD PRO 29 2.60 20 0.28 0.31 ++*+++++++++++++++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 *+++++++++++++++++++ VdW CG1 VAL 75 - C VAL 75 2.90 14 0.21 0.24 + ++++++ ++ +* + ++ VdW CG GLU 85 - C GLU 85 2.90 1 0.04 0.22 * VdW HD2 ARG 97 - HH11 ARG 97 1.95 1 0.01 0.22 * VdW O ARG 104 - O ASN 107 2.60 1 0.10 0.23 * VdW CG MET 117 - C MET 117 2.90 3 0.12 0.22 + * + VdW O ASN 120 - C LYS 121 2.80 4 0.05 0.24 + + * + VdW HA ASP 123 - CD PRO 124 2.60 13 0.21 0.30 + + +*++ + ++++++ VdW HA LYS 156 - CD PRO 157 2.60 2 0.05 0.24 * + VdW CG2 ILE 165 - CD1 ILE 165 3.00 2 0.02 0.24 * + VdW N VAL 168 - CG2 VAL 168 2.85 2 0.02 0.22 * + Angle PHI VAL 34 -81.00 -61.00 1 3.29 6.37 * Angle PSI VAL 34 -51.00 -31.00 3 4.15 5.20 + + * Angle PHI ASN 93 -85.00 -59.00 2 3.37 5.45 + * Angle PHI TYR 95 -138.00 -108.00 1 2.18 5.98 * Angle PHI PHE 143 -76.00 -56.00 1 1.03 5.67 * 32 violated distance constraints. 5 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.50 +/- 0.10 A (0.29..0.71 A; 20 structures) Average heavy atom RMSD to mean : 0.98 +/- 0.10 A (0.78..1.18 A; 20 structures)