Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 4.88 12 0.0234 0.63 3 10.9 0.30 3 1.3353 10.05 2 5.29 11 0.0232 0.64 6 12.3 0.30 2 1.1752 9.29 3 5.42 18 0.0245 0.63 4 12.3 0.35 2 1.1795 9.21 4 5.47 15 0.0252 0.64 1 12.9 0.30 3 1.2347 9.51 5 5.48 15 0.0248 0.62 6 11.5 0.30 4 1.2548 8.73 6 5.51 14 0.0243 0.62 5 12.7 0.28 3 1.3112 9.20 7 5.61 13 0.0240 0.60 8 12.6 0.34 2 1.0885 8.60 8 5.69 14 0.0234 0.62 4 12.5 0.30 3 1.7511 15.77 9 5.70 15 0.0257 0.60 4 11.7 0.28 3 1.3486 8.91 10 5.73 15 0.0245 0.62 6 12.3 0.30 3 1.2511 8.77 11 5.88 19 0.0263 0.76 4 11.6 0.30 4 1.4735 10.44 12 5.89 16 0.0253 0.64 3 13.6 0.30 2 1.2542 10.06 13 5.89 18 0.0249 0.66 4 13.5 0.30 2 1.2503 10.61 14 5.94 18 0.0254 0.63 4 12.6 0.33 2 1.3331 9.24 15 5.99 13 0.0240 0.60 7 12.3 0.30 3 1.7989 15.13 16 6.06 19 0.0239 0.64 6 12.9 0.30 3 1.8436 15.85 17 6.10 13 0.0228 0.60 8 14.1 0.35 3 1.3875 8.51 18 6.20 18 0.0247 0.59 7 12.9 0.33 3 1.7039 15.30 19 6.21 18 0.0257 0.66 5 14.1 0.37 2 1.2681 9.82 20 6.32 18 0.0259 0.68 4 14.5 0.31 4 1.3586 9.84 Ave 5.76 16 0.0246 0.63 5 12.7 0.31 3 1.3801 10.64 +/- 0.35 2 0.0010 0.04 2 0.9 0.02 1 0.2142 2.51 Min 4.88 11 0.0228 0.59 1 10.9 0.28 2 1.0885 8.51 Max 6.32 19 0.0263 0.76 8 14.5 0.37 4 1.8436 15.85 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H GLN 16 - H LEU 17 3.67 10 0.22 0.57 *+++ + + ++ + + peak 222 Upper HB2 PHE 21 - QG2 THR 115 4.08 20 0.24 0.30 +++++++++++*++++++++ peak 2644 Upper HA ILE 42 - QQG VAL 75 3.99 10 0.20 0.29 +++ + + + ++ + * peak 2793 Upper QG2 ILE 42 - H LYS 74 4.47 12 0.22 0.31 *+ ++ + + +++ + ++ peak 2011 Upper QD1 ILE 42 - H VAL 43 4.54 20 0.34 0.49 ++++++++++*+++++++++ peak 3258 Upper H VAL 43 - QG1 VAL 43 3.62 19 0.28 0.31 ++++++++ +++++++++*+ peak 2944 Upper HA ALA 45 - H ARG 104 4.29 7 0.17 0.29 + +++ + * + peak 9 Upper QG2 THR 46 - HG2 PRO 48 3.85 20 0.47 0.50 ++++++*+++++++++++++ peak 2479 Upper H PHE 50 - HA PRO 65 4.78 7 0.19 0.25 ++ + + * ++ peak 370 Upper HA VAL 79 - QB LEU 84 4.26 11 0.21 0.31 + + ++ + ++++ + * peak 576 Upper HB VAL 100 - H GLY 101 3.56 7 0.11 0.33 + ++ ++ +* peak 968 Upper H ARG 104 - H GLU 109 4.25 16 0.38 0.48 *++++++ ++++++ + ++ peak 251 Upper H ASP 106 - H SER 108 4.31 16 0.53 0.76 +++++++ ++*+++ + ++ peak 2020 Upper H ASN 107 - H SER 108 3.12 16 0.20 0.32 +++++++ ++++++ + +* peak 424 Upper HB ILE 119 - QD1 ILE 119 3.01 11 0.11 0.22 + ++* + + + +++ + peak 2001 Upper QD1 ILE 144 - H GLU 145 4.31 10 0.16 0.39 + +* ++++ +++ peak 2091 VdW CB GLN 16 - H LEU 17 2.55 6 0.07 0.22 +*+ + ++ VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 ++++++++++++*+++++++ VdW O ASN 120 - C LYS 121 2.80 7 0.11 0.27 ++ + + * + + VdW CG2 ILE 144 - C ILE 144 2.90 13 0.18 0.28 +++ +*++++++ + + Angle PSI LEU 47 94.00 144.00 20 9.94 12.58 ++++++++++++++*+++++ Angle PHI SER 108 -88.00 -50.00 16 6.38 10.44 +++++++ ++*+++ + ++ Angle PSI ASN 120 -9.00 11.00 7 3.31 6.88 +++ *++ + 16 violated distance constraints. 3 violated angle constraints. RMSDs for residues 18..123: Average backbone RMSD to mean : 1.02 +/- 0.21 A (0.72..1.57 A; 20 structures) Average heavy atom RMSD to mean : 1.61 +/- 0.18 A (1.32..1.98 A; 20 structures)