Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.02 4 0.0075 0.28 6 7.7 0.30 0 0.7529 4.55 2 2.04 4 0.0077 0.24 4 7.9 0.33 2 1.1165 5.81 3 2.11 3 0.0068 0.25 5 8.2 0.30 0 1.0368 4.19 4 2.12 4 0.0087 0.36 3 8.3 0.30 2 1.1601 7.08 5 2.12 2 0.0058 0.24 6 7.6 0.30 0 1.0737 4.92 6 2.36 4 0.0057 0.16 8 9.2 0.30 1 0.8264 5.35 7 2.37 6 0.0095 0.27 6 8.4 0.30 3 1.1367 6.67 8 2.50 7 0.0097 0.28 3 9.2 0.30 3 1.3704 7.84 9 2.62 8 0.0121 0.46 6 7.8 0.30 1 1.0275 6.56 10 2.68 4 0.0076 0.28 7 9.3 0.30 3 1.3029 6.56 11 2.79 4 0.0108 0.45 4 9.4 0.36 1 1.2225 6.54 12 2.85 5 0.0108 0.29 5 10.0 0.30 3 1.2871 7.04 13 2.87 8 0.0135 0.56 4 8.2 0.30 4 1.1432 7.16 14 2.87 9 0.0119 0.32 8 9.3 0.30 3 1.2541 6.58 15 3.09 12 0.0108 0.44 5 10.4 0.31 3 1.4243 9.38 16 3.29 5 0.0139 0.55 6 9.9 0.38 2 1.2251 8.89 17 3.50 12 0.0134 0.37 10 10.2 0.31 1 1.2353 5.23 18 3.56 8 0.0154 0.54 6 10.1 0.30 2 1.3309 6.74 19 3.60 6 0.0128 0.60 9 9.8 0.38 4 1.2539 7.33 20 3.64 6 0.0074 0.24 12 12.2 0.39 1 1.0042 6.25 Ave 2.75 6 0.0101 0.36 6 9.2 0.32 2 1.1592 6.53 +/- 0.54 3 0.0028 0.13 2 1.1 0.03 1 0.1667 1.28 Min 2.02 2 0.0057 0.16 3 7.6 0.30 0 0.7529 4.19 Max 3.64 12 0.0154 0.60 12 12.2 0.39 4 1.4243 9.38 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA2 GLY 69 - H GLU 70 3.20 6 0.08 0.33 + + ++ + * peak 435 Upper H GLY 101 - HB ILE 102 5.50 10 0.19 0.45 + ++++++*++ peak 978 Upper HA3 GLY 101 - H VAL 113 4.78 7 0.06 0.15 + +++* ++ peak 901 Upper QD1 ILE 102 - HA ALA 112 4.55 7 0.09 0.26 +++ + *+ + peak 1961 VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 *+++++++++++++++++++ VdW CG1 ILE 42 - C ILE 42 2.90 6 0.18 0.24 + + * + ++ VdW HG12 ILE 42 - C ILE 42 2.50 6 0.18 0.27 + + * + ++ VdW HA VAL 64 - CD PRO 65 2.60 9 0.18 0.26 *+++ ++ + ++ VdW CG2 ILE 102 - CD1 ILE 102 3.00 10 0.12 0.24 +++ +++*+ ++ VdW CG1 ILE 102 - C ILE 102 2.90 11 0.21 0.28 * ++++++ +++ + VdW HG12 ILE 102 - C ILE 102 2.50 9 0.15 0.26 * ++++ + ++ + Angle PSI ILE 42 123.00 143.00 6 4.83 7.84 +* + +++ Angle PSI LEU 47 94.00 144.00 6 4.62 6.54 + ++ *++ Angle PSI VAL 64 143.00 169.00 6 2.27 7.08 * + ++ ++ 4 violated distance constraints. 3 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 5.40 +/- 2.33 A (3.29..10.23 A) Average heavy atom RMSD to mean : 5.89 +/- 2.27 A (3.86..10.62 A)