Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.67 1 0.0050 0.11 0 4.1 0.19 0 0.4411 2.01 2 0.75 7 0.0099 0.36 0 3.3 0.18 0 0.2515 1.14 3 0.81 3 0.0094 0.32 0 3.8 0.19 0 0.2511 1.22 4 0.90 4 0.0093 0.35 0 4.4 0.20 0 0.3818 2.11 5 0.90 9 0.0089 0.15 1 4.6 0.21 0 0.4183 2.10 6 1.00 4 0.0107 0.38 2 4.2 0.21 0 0.4213 2.32 7 1.00 2 0.0057 0.20 2 4.6 0.27 0 0.3538 2.01 8 1.02 4 0.0078 0.23 2 4.1 0.32 0 0.4610 2.00 9 1.03 4 0.0102 0.35 1 4.9 0.22 0 0.3839 1.94 10 1.11 6 0.0079 0.21 4 4.6 0.27 0 0.3744 2.01 11 1.19 5 0.0077 0.24 3 5.9 0.27 0 0.5277 2.48 12 1.21 9 0.0099 0.22 3 5.8 0.21 0 0.5185 2.15 13 1.21 5 0.0082 0.20 1 5.8 0.30 0 0.5237 2.34 14 1.22 8 0.0091 0.21 2 5.2 0.25 0 0.3095 1.85 15 1.25 4 0.0092 0.30 1 5.2 0.32 0 0.5578 2.25 16 1.28 7 0.0106 0.36 2 5.0 0.27 0 0.4630 2.37 17 1.32 11 0.0134 0.36 2 5.3 0.21 0 0.5397 3.12 18 1.35 7 0.0111 0.34 2 5.1 0.32 0 0.6431 3.71 19 1.37 5 0.0099 0.36 5 5.1 0.29 0 0.5343 2.18 20 1.39 10 0.0119 0.33 3 5.3 0.32 0 0.4370 2.03 Ave 1.10 6 0.0093 0.28 2 4.8 0.25 0 0.4396 2.17 +/- 0.21 3 0.0019 0.08 1 0.7 0.05 0 0.1008 0.54 Min 0.67 1 0.0050 0.11 0 3.3 0.18 0 0.2511 1.14 Max 1.39 11 0.0134 0.38 5 5.9 0.32 0 0.6431 3.71 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB3 GLU 293 - H ARG 294 4.07 9 0.08 0.35 + + *+ ++ + ++ peak 173 VdW HA ASP 42 - CD PRO 43 2.60 8 0.21 0.30 ++ + ++ * + + VdW HA ASP 242 - CD PRO 243 2.60 8 0.20 0.21 + +++ + * ++ 1 violated distance constraint. 0 violated angle constraints. RMSDs for residues 50..78: Average backbone RMSD to mean : 0.88 +/- 0.35 A (0.46..1.64 A) Average heavy atom RMSD to mean : 1.40 +/- 0.36 A (0.92..2.15 A)