Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 4.04 11 0.0150 0.53 1 11.2 0.22 0 0.6154 3.92 2 4.76 9 0.0152 0.47 3 10.7 0.23 0 0.6091 4.86 3 4.83 7 0.0158 0.50 2 11.3 0.22 0 0.6918 4.38 4 4.88 8 0.0149 0.52 3 11.6 0.21 0 0.6869 4.67 5 4.90 12 0.0163 0.51 2 11.8 0.22 0 0.7290 4.61 6 4.93 10 0.0151 0.51 1 11.7 0.21 0 0.7334 4.24 7 5.04 11 0.0165 0.48 1 11.9 0.23 0 0.6698 4.53 8 5.10 9 0.0141 0.50 1 11.1 0.22 0 0.6956 4.18 9 5.21 14 0.0162 0.50 3 12.2 0.22 0 0.6476 4.22 10 5.28 9 0.0147 0.51 1 11.6 0.21 1 0.7025 5.16 11 5.33 10 0.0156 0.51 1 12.0 0.23 0 0.6380 4.44 12 5.35 7 0.0150 0.49 2 12.5 0.23 1 0.7244 5.06 13 5.45 7 0.0153 0.48 3 13.6 0.23 0 0.7933 4.66 14 5.50 10 0.0180 0.71 2 11.8 0.23 0 0.6622 4.54 15 5.58 11 0.0166 0.49 1 11.3 0.22 1 0.6517 5.09 16 5.61 9 0.0165 0.48 3 13.1 0.23 1 0.7186 5.15 17 5.63 10 0.0153 0.51 3 11.6 0.25 0 0.7201 4.90 18 5.66 11 0.0182 0.64 2 10.7 0.22 0 0.6774 4.37 19 5.71 10 0.0164 0.51 4 12.8 0.23 2 0.7594 5.96 20 5.76 13 0.0175 0.66 2 11.7 0.22 0 0.6991 4.14 Ave 5.23 10 0.0159 0.53 2 11.8 0.22 0 0.6913 4.65 +/- 0.41 2 0.0011 0.06 1 0.7 0.01 1 0.0455 0.46 Min 4.04 7 0.0141 0.47 1 10.7 0.21 0 0.6091 3.92 Max 5.76 14 0.0182 0.71 4 13.6 0.25 2 0.7933 5.96 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD PHE 47 - H ARG 70 5.20 17 0.24 0.30 + +++++*+++ +++++ ++ peak 97 Upper QE TYR 52 - QB ALA 395 4.70 20 0.27 0.29 +++++++++++++++*++++ peak 234 Upper QD1 LEU 62 - H LEU 65 5.50 20 0.50 0.53 +++++++++++++++++++* peak 2306 Upper HA ALA 63 - H GLU 67 4.15 6 0.19 0.33 + + + + * + peak 214 Upper H GLU 67 - QD2 LEU 68 5.09 20 0.25 0.28 +++++++++++++++++*++ peak 956 Upper H LEU 87 - HG LEU 87 3.44 10 0.20 0.32 + ++++ + *+++ peak 1109 Upper QQG VAL 88 - HA CYS 369 4.54 10 0.20 0.30 + + + +++ + *++ peak 3150 Upper H VAL 104 - HB VAL 104 3.22 6 0.11 0.39 + + +++ * peak 728 Upper QB GLN 107 - H LEU 118 5.31 8 0.17 0.26 * + +++ ++ + peak 3622 Upper HA LEU 122 - QD1 LEU 122 3.23 16 0.24 0.39 +++++++ ++++ + +*++ peak 565 VdW CA LEU 62 - CD2 LEU 62 3.00 20 0.22 0.23 ++++++++++*+++++++++ VdW CA LEU 122 - CD2 LEU 122 3.00 12 0.18 0.23 ++++ + ++* ++ ++ 10 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.51 +/- 0.22 A (0.20..0.92 A; 20 structures) Average heavy atom RMSD to mean : 0.94 +/- 0.13 A (0.75..1.24 A; 20 structures)