Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.63 1 0.0053 0.33 2 2.3 0.27 0 0.2640 2.45 2 0.64 0 0.0026 0.08 2 3.0 0.25 0 0.4270 2.59 3 0.70 1 0.0035 0.12 2 3.3 0.25 0 0.4439 2.70 4 0.73 4 0.0055 0.20 1 3.4 0.30 0 0.4283 2.33 5 0.93 2 0.0041 0.16 3 3.8 0.28 0 0.2627 2.45 6 0.96 2 0.0078 0.48 2 2.8 0.33 0 0.3244 2.38 7 0.97 1 0.0027 0.14 3 4.0 0.30 0 0.3320 2.30 8 1.02 1 0.0033 0.13 4 4.0 0.29 0 0.2971 2.45 9 1.02 2 0.0039 0.15 3 4.0 0.29 0 0.5990 4.41 10 1.08 4 0.0053 0.19 2 4.2 0.30 0 0.4258 3.22 11 1.09 1 0.0029 0.11 5 4.4 0.27 0 0.3264 2.35 12 1.13 2 0.0050 0.22 4 4.1 0.26 0 0.5046 2.56 13 1.15 3 0.0044 0.20 3 5.1 0.25 0 0.4516 2.04 14 1.18 2 0.0050 0.23 3 4.7 0.30 0 0.6479 3.75 15 1.23 6 0.0063 0.18 1 5.3 0.26 0 0.5675 4.42 16 1.26 1 0.0037 0.13 4 5.1 0.27 0 0.2889 2.47 17 1.33 4 0.0096 0.54 2 3.9 0.25 0 0.4957 2.74 18 1.37 4 0.0052 0.20 4 5.1 0.30 0 0.4410 2.41 19 1.37 3 0.0054 0.24 3 6.1 0.26 0 0.4844 3.05 20 1.41 3 0.0058 0.25 3 5.5 0.30 0 0.5871 3.11 Ave 1.06 2 0.0049 0.21 3 4.2 0.28 0 0.4300 2.81 +/- 0.24 1 0.0017 0.11 1 1.0 0.02 0 0.1136 0.66 Min 0.63 0 0.0026 0.08 1 2.3 0.25 0 0.2627 2.04 Max 1.41 6 0.0096 0.54 5 6.1 0.33 0 0.6479 4.42 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA HIS 72 - HD2 HIS 72 3.97 8 0.06 0.15 + + ++ ++ *+ peak 427 Upper HB ILE 119 - HA ASN 120 5.50 7 0.09 0.21 +* + + + + + peak 1996 VdW HA ASP 28 - CD PRO 29 2.60 6 0.11 0.29 + ++ + * + VdW HA THR 39 - CD PRO 40 2.60 20 0.26 0.30 +++++++++++++++++++* VdW CB TYR 60 - CD PRO 61 3.20 7 0.09 0.30 + + + + + + * VdW CG2 ILE 119 - C ILE 119 2.90 12 0.16 0.27 *++ +++ ++ + ++ + 2 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 5.31 +/- 1.38 A (3.51..7.97 A; 20 structures) Average heavy atom RMSD to mean : 5.48 +/- 1.33 A (3.66..8.13 A; 20 structures)