Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 1.23 0 0.0031 0.08 4 4.7 0.32 0 0.5754 4.57
2 1.30 2 0.0048 0.15 4 5.3 0.30 0 0.5759 3.64
3 1.51 7 0.0081 0.24 5 5.2 0.32 0 0.5036 3.28
4 1.69 2 0.0048 0.14 4 6.7 0.32 2 0.9946 6.49
5 2.01 7 0.0084 0.33 6 7.3 0.32 1 0.7835 7.49
6 2.18 4 0.0108 0.52 4 6.8 0.30 3 0.9950 7.10
7 2.30 6 0.0080 0.32 6 8.0 0.32 2 1.0569 6.15
8 2.39 12 0.0098 0.24 4 8.1 0.30 2 1.1304 8.22
9 2.41 4 0.0053 0.17 8 7.0 0.40 1 0.7549 6.64
10 2.44 4 0.0059 0.16 8 8.5 0.31 3 0.9604 6.02
11 2.53 14 0.0118 0.33 5 7.7 0.32 1 0.9519 5.86
12 2.57 4 0.0063 0.21 9 9.0 0.38 0 0.5928 3.13
13 2.58 5 0.0073 0.31 9 8.0 0.41 1 0.7174 5.14
14 2.65 6 0.0086 0.34 7 8.8 0.32 0 0.7694 4.33
15 2.79 2 0.0048 0.23 11 7.9 0.40 1 0.6284 5.59
16 2.91 7 0.0091 0.34 9 9.1 0.40 0 0.6251 3.40
17 2.96 8 0.0081 0.28 9 8.5 0.42 1 0.8434 6.12
18 3.06 14 0.0145 0.44 7 9.6 0.33 0 0.7495 3.59
19 3.65 7 0.0097 0.34 9 10.8 0.36 5 1.4562 9.37
20 3.98 10 0.0114 0.34 11 12.2 0.33 5 1.1994 7.11
Ave 2.46 6 0.0080 0.27 7 8.0 0.34 1 0.8432 5.66
+/- 0.69 4 0.0028 0.10 2 1.8 0.04 2 0.2407 1.72
Min 1.23 0 0.0031 0.08 4 4.7 0.30 0 0.5036 3.13
Max 3.98 14 0.0145 0.52 11 12.2 0.42 5 1.4562 9.37
Cut 0.10 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper HD1 TRP 135 - H LYS 136 4.19 7 0.07 0.23 + + * ++ + + peak 1517
VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 +++++++++*++++++++++
VdW CG2 ILE 63 - C ILE 63 2.90 16 0.25 0.33 + +++++ ++*++++++ +
VdW HA VAL 64 - CD PRO 65 2.60 9 0.17 0.25 ++ * ++ + + ++
VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.24 0.25 +++*++++++++++++++++
Angle PHI ILE 119 -78.00 -50.00 9 3.34 8.22 + +* ++ + + ++
1 violated distance constraint.
1 violated angle constraint.
RMSDs for residues 18..164:
Average backbone RMSD to mean : 8.31 +/- 2.42 A (5.35..15.10 A)
Average heavy atom RMSD to mean : 8.51 +/- 2.23 A (5.82..14.78 A)