Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.41 9 0.0113 0.41 2 4.7 0.21 0 0.5835 3.73 2 1.52 13 0.0124 0.42 2 4.8 0.29 0 0.5860 3.61 3 1.55 8 0.0110 0.45 3 5.0 0.27 0 0.5545 3.58 4 1.73 4 0.0055 0.13 4 5.9 0.29 1 1.1365 14.52 5 1.74 7 0.0111 0.44 3 6.0 0.26 0 0.6666 4.93 6 1.84 4 0.0068 0.28 5 6.4 0.28 1 1.0343 12.62 7 1.86 5 0.0076 0.23 5 7.3 0.28 1 0.9201 8.09 8 1.89 11 0.0115 0.35 5 6.3 0.29 0 0.6103 3.97 9 1.92 16 0.0155 0.44 2 4.7 0.22 0 0.6246 3.81 10 1.92 15 0.0145 0.46 1 5.5 0.30 0 0.6532 3.79 11 1.95 10 0.0123 0.41 4 6.7 0.26 0 0.6777 3.94 12 2.01 5 0.0065 0.19 5 7.1 0.30 1 1.1601 13.37 13 2.05 9 0.0120 0.42 2 7.4 0.30 0 0.7156 3.69 14 2.07 10 0.0130 0.60 4 7.0 0.26 0 0.5571 3.63 15 2.07 10 0.0125 0.38 6 6.2 0.28 0 0.5970 4.29 16 2.09 7 0.0121 0.59 6 6.6 0.27 0 0.5272 3.30 17 2.09 5 0.0075 0.30 5 6.2 0.30 1 1.3371 17.30 18 2.10 4 0.0059 0.23 5 6.8 0.30 1 1.2740 16.04 19 2.10 11 0.0113 0.36 4 7.1 0.32 0 0.7430 3.74 20 2.11 13 0.0132 0.36 4 6.3 0.29 0 0.6121 4.11 Ave 1.90 9 0.0107 0.37 4 6.2 0.28 0 0.7785 6.80 +/- 0.21 4 0.0029 0.12 1 0.8 0.03 0 0.2560 4.78 Min 1.41 4 0.0055 0.13 1 4.7 0.21 0 0.5272 3.30 Max 2.11 16 0.0155 0.60 6 7.4 0.32 1 1.3371 17.30 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA VAL 31 - QG1 VAL 34 3.72 10 0.08 0.16 + + +*++ + +++ peak 2660 Upper HB VAL 103 - H MET 111 4.10 15 0.17 0.25 +++ * +++++ ++++ ++ peak 269 Upper H ARG 104 - QG ARG 104 3.70 17 0.21 0.30 ++++++ ++++++ * ++++ peak 2 Upper H ARG 104 - HG3 ARG 104 4.36 11 0.08 0.20 +++ + +++ + * ++ peak 2 Upper H ARG 104 - H SER 108 4.77 9 0.07 0.14 +++ +++ + +* peak 615 Upper H ARG 104 - H GLU 109 4.65 10 0.07 0.18 +++ +++ + + *+ peak 251 Upper HB2 ARG 104 - H ASP 106 4.58 12 0.14 0.29 +++ + ++++ + + +* peak 446 Upper QB ARG 104 - H SER 108 4.15 12 0.25 0.45 ++* + ++++ + + ++ peak 610 Upper H ASN 107 - H SER 108 3.23 12 0.13 0.24 +++ + ++++ + * ++ peak 424 Upper HB ILE 119 - HA ASN 120 5.50 6 0.07 0.19 ++ ++ * + peak 1996 VdW HA THR 39 - CD PRO 40 2.60 20 0.25 0.30 +++++++++*++++++++++ VdW CG1 ILE 102 - C ILE 102 2.90 17 0.22 0.27 + ++++++ +++++*++++ VdW CG2 ILE 119 - C ILE 119 2.90 11 0.15 0.27 +*++ + ++ ++ ++ 10 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 7.93 +/- 2.00 A (4.73..11.82 A) Average heavy atom RMSD to mean : 8.17 +/- 1.95 A (5.17..12.16 A)