Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.47 15 0.0149 0.43 4 7.7 0.29 1 0.8817 6.55 2 2.53 17 0.0148 0.41 6 7.7 0.32 1 0.8520 5.75 3 2.85 8 0.0087 0.21 12 8.8 0.32 1 0.7700 5.10 4 2.93 15 0.0160 0.38 6 8.2 0.32 0 0.7519 4.20 5 3.01 22 0.0183 0.38 5 9.1 0.30 0 0.8291 4.77 6 3.18 14 0.0160 0.38 5 10.3 0.30 0 0.7650 4.18 7 3.39 11 0.0195 0.79 7 7.6 0.31 1 0.8255 6.63 8 3.46 17 0.0132 0.25 8 9.2 0.50 0 0.7508 4.80 9 3.48 19 0.0217 0.68 6 7.5 0.30 1 0.8914 8.47 10 3.62 20 0.0175 0.59 9 9.7 0.33 2 0.9847 5.32 11 3.69 19 0.0165 0.40 7 11.8 0.32 0 0.7891 3.91 12 3.75 16 0.0200 0.68 7 9.2 0.33 0 0.8618 4.70 13 3.76 15 0.0205 0.62 5 8.3 0.35 4 1.3224 9.41 14 3.86 19 0.0206 0.78 8 9.3 0.30 1 1.0119 6.67 15 4.17 14 0.0206 0.65 10 11.2 0.30 1 1.0063 5.67 16 4.20 16 0.0249 0.84 6 8.8 0.30 1 0.9877 5.25 17 4.24 18 0.0211 0.60 8 11.2 0.30 0 0.9112 4.85 18 4.35 22 0.0206 0.67 8 12.6 0.30 3 1.2185 7.28 19 4.37 15 0.0220 0.63 10 10.3 0.31 1 1.0099 6.16 20 4.37 18 0.0255 0.61 7 9.1 0.30 2 0.9154 5.54 Ave 3.58 17 0.0187 0.55 7 9.4 0.32 1 0.9168 5.76 +/- 0.59 3 0.0039 0.18 2 1.4 0.04 1 0.1469 1.39 Min 2.47 8 0.0087 0.21 4 7.5 0.29 0 0.7508 3.91 Max 4.37 22 0.0255 0.84 12 12.6 0.50 4 1.3224 9.41 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H VAL 20 - QG1 VAL 75 3.77 8 0.06 0.21 + +*+ + + + + peak 499 Upper HA PHE 21 - QG1 VAL 22 4.23 8 0.09 0.28 +* + + ++++ peak 1357 Upper HA PHE 21 - QG2 VAL 22 4.52 8 0.25 0.68 ++ * + ++++ peak 2425 Upper QG2 VAL 31 - HB ILE 32 5.50 9 0.07 0.19 ++ + +* + ++ + peak 2668 Upper QG2 VAL 31 - HZ2 TRP 135 3.90 6 0.05 0.20 + + +++ * peak 555 Upper HB ILE 32 - H LEU 36 5.50 16 0.14 0.23 ++++++++ +++ +* ++ + peak 175 Upper HG12 ILE 32 - QD2 LEU 36 3.99 6 0.06 0.16 *++ ++ + peak 176 Upper HA LEU 36 - QD2 LEU 36 3.62 8 0.15 0.38 +*++ ++ + + peak 209 Upper HG LEU 36 - H ARG 38 4.29 12 0.27 0.84 ++++ + +++ +* ++ peak 597 Upper HA ILE 42 - HB VAL 75 4.94 7 0.07 0.24 +*+ + + + + peak 2836 Upper H VAL 43 - HB VAL 75 4.50 6 0.06 0.20 + +* + + + peak 2781 Upper H SER 44 - HG3 LYS 74 5.50 6 0.05 0.15 * + +++ + peak 72 Upper HB3 LEU 47 - HB VAL 71 5.50 6 0.05 0.12 ++ *+ + + peak 1522 VdW CG1 VAL 22 - C VAL 22 2.90 8 0.10 0.26 +* + + ++++ VdW HA ASP 28 - CD PRO 29 2.60 14 0.25 0.30 ++++ +* + ++++ +++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 +++++++*++++++++++++ VdW CB TYR 60 - CD PRO 61 3.20 8 0.12 0.32 +* ++ + + ++ VdW CG2 ILE 119 - C ILE 119 2.90 16 0.21 0.27 + ++++++*++++ +++ + VdW CG TRP 135 - C TRP 135 2.90 12 0.18 0.26 *+++ + + + +++ + + 13 violated distance constraints. 6 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 4.41 +/- 1.14 A (3.02..8.30 A; 20 structures) Average heavy atom RMSD to mean : 4.67 +/- 1.10 A (3.29..8.38 A; 20 structures)