Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.42 0 0.0072 0.16 0 7.6 0.19 0 0.2867 2.21 2 2.93 3 0.0099 0.29 1 8.4 0.21 0 0.3924 2.67 3 2.99 2 0.0090 0.21 2 7.8 0.30 0 0.3472 3.44 4 3.01 1 0.0086 0.34 4 8.4 0.25 0 0.3897 3.45 5 3.02 3 0.0089 0.32 3 8.1 0.29 0 0.2882 2.11 6 3.03 4 0.0103 0.33 0 7.3 0.16 0 0.4011 2.76 7 3.10 3 0.0103 0.26 0 7.5 0.19 0 0.4433 2.89 8 3.10 5 0.0094 0.23 1 8.1 0.22 0 0.3386 2.06 9 3.15 4 0.0094 0.25 1 7.5 0.20 1 0.6669 7.41 10 3.17 3 0.0092 0.29 2 7.4 0.31 0 0.3896 2.55 11 3.22 4 0.0122 0.40 0 8.9 0.19 0 0.4955 3.94 12 3.25 2 0.0091 0.29 3 8.6 0.28 0 0.3909 3.56 13 3.36 2 0.0097 0.22 0 7.9 0.19 0 0.3777 2.37 14 3.42 3 0.0093 0.28 0 7.7 0.18 0 0.2891 1.75 15 3.43 3 0.0099 0.34 2 9.0 0.26 0 0.4464 3.26 16 3.55 1 0.0086 0.21 1 8.5 0.25 0 0.4612 3.25 17 3.62 4 0.0115 0.31 1 8.5 0.21 0 0.5538 3.86 18 3.67 0 0.0086 0.19 3 8.9 0.28 1 0.5464 5.03 19 3.69 10 0.0114 0.30 4 9.3 0.29 0 0.3361 2.40 20 3.70 10 0.0136 0.46 2 8.7 0.29 0 0.5440 4.68 Ave 3.24 3 0.0098 0.28 2 8.2 0.24 0 0.4192 3.28 +/- 0.31 3 0.0014 0.07 1 0.6 0.05 0 0.0989 1.27 Min 2.42 0 0.0072 0.16 0 7.3 0.16 0 0.2867 1.75 Max 3.70 10 0.0136 0.46 4 9.3 0.31 1 0.6669 7.41 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA LEU 84 - QD1 LEU 87 4.63 11 0.21 0.34 + ++++++ * + ++ peak 3123 VdW HA ARG 108 - CD PRO 109 2.60 6 0.12 0.30 * + + +++ VdW HA ARG 408 - CD PRO 409 2.60 6 0.10 0.29 * + + +++ 1 violated distance constraint. 2 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.42 +/- 0.14 A (0.24..0.82 A; 20 structures) Average heavy atom RMSD to mean : 0.84 +/- 0.10 A (0.69..1.11 A; 20 structures)