Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.58 6 0.0086 0.21 3 6.2 0.32 2 0.8215 5.86 2 3.09 18 0.0147 0.27 7 10.4 0.33 0 0.8640 4.44 3 3.51 12 0.0163 0.38 8 10.3 0.32 5 1.2742 9.02 4 3.86 15 0.0210 0.52 7 10.3 0.30 3 1.3872 8.48 5 3.95 24 0.0208 0.38 6 11.3 0.33 2 1.0628 7.98 6 4.32 21 0.0221 0.52 6 11.2 0.33 0 1.1560 4.60 7 4.74 20 0.0213 0.51 9 11.9 0.33 6 1.6665 11.49 8 4.87 17 0.0230 0.69 8 13.1 0.32 2 1.2374 10.34 9 5.19 31 0.0257 0.55 6 14.1 0.30 5 1.4981 8.86 10 5.26 21 0.0233 0.47 9 14.6 0.32 5 1.4456 10.23 11 5.33 26 0.0259 0.56 7 14.1 0.42 3 1.4100 8.66 12 5.52 26 0.0236 0.63 12 12.9 0.41 5 1.5651 9.49 13 5.64 33 0.0291 0.57 6 12.9 0.31 8 1.6262 9.02 14 5.68 25 0.0235 0.58 10 14.1 0.50 7 1.6413 9.31 15 5.70 37 0.0252 0.55 6 15.1 0.34 6 1.6496 8.73 16 5.72 26 0.0257 0.55 6 13.6 0.33 5 1.8668 11.61 17 5.72 21 0.0247 0.70 9 15.3 0.33 5 1.4641 8.16 18 5.92 22 0.0222 0.46 9 14.2 0.33 9 2.2609 14.54 19 6.03 31 0.0272 0.50 9 14.2 0.35 3 1.5192 10.11 20 6.14 24 0.0264 0.57 9 14.3 0.50 2 1.5046 11.52 Ave 4.89 23 0.0225 0.51 8 12.7 0.35 4 1.4461 9.12 +/- 1.15 7 0.0046 0.12 2 2.2 0.06 2 0.3213 2.31 Min 1.58 6 0.0086 0.21 3 6.2 0.30 0 0.8215 4.44 Max 6.14 37 0.0291 0.70 12 15.3 0.50 9 2.2609 14.54 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA LEU 17 - QD2 LEU 17 3.01 6 0.11 0.39 + + + * + + peak 88 Upper HA PHE 26 - H ASP 28 3.96 6 0.07 0.34 + + + * ++ peak 1332 Upper HB2 ASP 28 - H VAL 31 4.81 6 0.06 0.21 + + + + *+ peak 1438 Upper HA ILE 42 - H VAL 75 5.00 7 0.14 0.57 + + *+++ + peak 833 Upper HA VAL 43 - H VAL 75 5.50 6 0.07 0.35 + *+++ + peak 834 Upper H ALA 45 - HD3 LYS 74 4.11 6 0.05 0.22 + ++*+ + peak 1391 Upper HB2 LEU 47 - HB VAL 71 4.98 10 0.12 0.38 + ++++++ *++ peak 2440 Upper HG LEU 47 - H PHE 50 5.21 6 0.07 0.17 ++ + * + + peak 1734 Upper HG LEU 47 - HB2 PHE 50 5.50 9 0.10 0.31 + * ++ + ++++ peak 1564 Upper HG LEU 47 - QD PHE 50 3.77 9 0.11 0.35 *+ + + + + + ++ peak 176 Upper QD1 LEU 47 - HB VAL 71 4.25 6 0.06 0.22 + + ++ +* peak 1322 Upper HB3 PHE 50 - HB ILE 63 5.47 9 0.10 0.38 ++ * ++++ + + peak 2240 Upper QD PHE 50 - QG2 VAL 71 4.09 11 0.13 0.39 + ++*++++ +++ peak 173 Upper HB2 GLN 51 - HA ILE 63 5.50 9 0.09 0.29 + + + ++++* + peak 325 Upper HG2 GLN 51 - H ARG 52 4.52 7 0.09 0.35 + * + ++ + + peak 1854 Upper H PHE 53 - H VAL 64 5.50 8 0.08 0.17 + +* ++++ + peak 1477 Upper HB2 LEU 59 - HZ2 TRP 118 5.50 7 0.08 0.23 ++ + *+ + + peak 543 Upper HB3 LEU 59 - H CYS 62 5.50 6 0.08 0.29 *+ +++ + peak 926 Upper H ILE 63 - H TRP 118 4.36 8 0.07 0.16 * +++ + + ++ peak 1076 Upper QD1 ILE 63 - H VAL 71 5.50 7 0.09 0.29 *+ ++ ++ + peak 1783 Upper HA TRP 135 - HB2 LEU 138 5.50 6 0.07 0.31 + + ++ *+ peak 1026 Upper H LYS 136 - HD3 ARG 137 5.30 6 0.09 0.35 + + ++ * + peak 1520 Upper HA ARG 137 - QD1 LEU 138 4.93 11 0.29 0.58 + ++ +++ * + +++ peak 1001 Upper HG3 ARG 137 - H LEU 138 3.56 12 0.16 0.55 ++++ ++ + ++* ++ peak 994 Upper HG3 GLU 145 - H LYS 149 5.50 6 0.08 0.31 + + * +++ peak 1104 Upper HA PHE 147 - HE3 LYS 148 4.92 8 0.14 0.48 + ++ + * +++ peak 1111 Upper QD PHE 147 - HG3 LYS 148 5.50 6 0.10 0.55 + + + *+ + peak 115 VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 +++++++*++++++++++++ VdW CG1 ILE 42 - C ILE 42 2.90 6 0.14 0.29 + ++ ++* VdW CG2 ILE 63 - C ILE 63 2.90 13 0.23 0.33 +++++ *+ + ++++ + VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.25 0.25 ++++++++++++++++*+++ VdW CG TRP 118 - O TRP 118 2.90 6 0.13 0.31 *+ + + ++ Angle PSI LEU 47 94.00 144.00 10 5.27 8.23 + + + ++ +++* + Angle PSI CYS 62 148.00 170.00 11 4.66 8.99 + ++ + ++ *+++ + Angle PHI ILE 63 -151.00 -129.00 7 3.69 6.89 + + * ++ + + Angle PHI ILE 119 -78.00 -50.00 14 6.36 10.34 +++ +*++ +++++++ Angle PSI ILE 119 -43.00 -21.00 10 4.37 9.48 + +++ +++++* 27 violated distance constraints. 5 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 6.45 +/- 1.83 A (3.84..9.84 A) Average heavy atom RMSD to mean : 6.73 +/- 1.76 A (4.41..10.24 A)