Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.66 11 0.0112 0.29 8 10.8 0.36 1 1.3487 13.11 2 3.99 20 0.0143 0.31 8 13.4 0.30 2 1.1868 6.74 3 4.00 10 0.0117 0.41 11 12.1 0.33 1 1.3384 14.42 4 4.11 16 0.0142 0.35 9 11.8 0.33 2 1.5972 16.56 5 4.23 16 0.0141 0.34 9 12.2 0.32 5 1.5522 15.17 6 4.61 17 0.0124 0.32 12 13.6 0.32 3 1.6733 17.01 7 4.62 30 0.0186 0.43 8 12.7 0.32 4 1.5288 9.45 8 4.74 15 0.0149 0.43 16 13.2 0.33 1 0.7364 5.17 9 4.81 21 0.0173 0.44 10 13.9 0.36 3 1.0930 6.74 10 4.82 31 0.0184 0.33 11 13.0 0.36 6 1.4232 7.49 11 4.86 18 0.0175 0.45 13 13.6 0.33 0 1.0521 4.66 12 4.95 28 0.0204 0.38 10 13.8 0.31 0 0.9924 3.99 13 4.97 26 0.0191 0.47 10 12.1 0.34 4 1.0814 7.17 14 4.98 19 0.0171 0.44 12 12.1 0.30 5 1.8959 15.66 15 5.12 27 0.0216 0.46 8 11.4 0.33 4 1.4183 8.40 16 5.17 22 0.0176 0.37 8 14.1 0.33 2 1.5960 16.20 17 5.17 19 0.0158 0.36 11 15.6 0.33 3 1.4993 14.48 18 5.28 36 0.0220 0.38 12 14.0 0.32 1 1.1063 6.14 19 5.29 11 0.0112 0.25 14 15.1 0.46 2 1.4942 14.70 20 5.31 29 0.0200 0.44 11 11.6 0.32 9 1.7658 9.49 Ave 4.73 21 0.0165 0.38 11 13.0 0.34 3 1.3690 10.64 +/- 0.48 7 0.0033 0.06 2 1.2 0.03 2 0.2858 4.44 Min 3.66 10 0.0112 0.25 8 10.8 0.30 0 0.7364 3.99 Max 5.31 36 0.0220 0.47 16 15.6 0.46 9 1.8959 17.01 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD TYR 23 - HB ILE 63 5.50 7 0.08 0.20 + + + + *++ peak 62 Upper H LEU 36 - HG LEU 36 4.00 8 0.10 0.29 * + ++ + + + + peak 1192 Upper HA GLU 41 - QG2 ILE 42 5.01 11 0.07 0.18 + +*++++ ++ + + peak 3273 Upper H ILE 42 - QG2 VAL 43 4.54 10 0.16 0.42 + + + ++*+ + + + peak 1976 Upper HA ILE 42 - HB VAL 43 4.45 10 0.15 0.32 + + + +*++ + + + peak 2937 Upper HB VAL 43 - HD3 ARG 104 4.61 9 0.10 0.36 + + ++++++ * peak 1968 Upper QG1 VAL 43 - H VAL 75 4.42 6 0.07 0.17 + + *+ + + peak 2946 Upper H THR 46 - HB VAL 103 4.30 6 0.10 0.44 + + * + + + peak 504 Upper HB3 PHE 50 - HB ILE 63 5.50 14 0.12 0.20 ++ +*+++ ++ ++++ + peak 2240 Upper H TYR 95 - QG2 ILE 119 5.50 6 0.07 0.18 + + ++ *+ peak 1027 Upper HA ILE 102 - HB VAL 103 5.50 17 0.12 0.17 ++++++ + *+++++ ++++ peak 3051 Upper HE ARG 104 - HD22 ASN 107 5.50 10 0.15 0.45 + + +++++*+ + peak 1574 Upper QG2 ILE 144 - HA LYS 148 4.38 7 0.09 0.19 ++ + + + +* peak 1121 VdW HA ASP 28 - CD PRO 29 2.60 20 0.29 0.31 ++++++++*+++++++++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 +++++++++++++++++++* VdW CG2 ILE 42 - C ILE 42 2.90 20 0.28 0.33 +++++++++++++++*++++ VdW CB TYR 60 - CD PRO 61 3.20 7 0.12 0.30 + * ++ ++ + VdW CG2 ILE 63 - C ILE 63 2.90 6 0.13 0.32 + + + ++ * VdW O ASP 106 - CB ASN 107 2.90 16 0.22 0.32 +++++++++ + ++ *+++ VdW CG2 ILE 119 - C ILE 119 2.90 8 0.19 0.30 + + * ++++ + VdW O ASN 120 - C LYS 121 2.80 10 0.18 0.33 + * +++ + ++++ VdW CG2 ILE 144 - C ILE 144 2.90 20 0.29 0.33 ++++++++++++++++*+++ VdW CG PHE 147 - C PHE 147 2.90 12 0.14 0.25 ++++ ++*+ +++ + Angle PSI LEU 47 94.00 144.00 10 5.41 9.45 + ++* ++ +++ + Angle PSI ASP 106 -48.00 -12.00 10 7.73 17.01 + +++*+ + ++ + Angle PSI ASN 120 -9.00 11.00 6 3.09 6.74 * +++ + + 13 violated distance constraints. 3 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 1.06 +/- 0.13 A (0.82..1.28 A; 20 structures) Average heavy atom RMSD to mean : 1.66 +/- 0.10 A (1.47..1.81 A; 20 structures)