Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 3.01 0 0.0116 0.19 8 9.8 0.30 1 0.9775 6.02
2 3.10 6 0.0126 0.38 7 8.5 0.30 4 1.1999 7.80
3 3.11 1 0.0117 0.30 5 10.6 0.30 1 1.0611 5.71
4 3.24 2 0.0115 0.30 6 10.9 0.30 2 1.0341 6.07
5 3.38 4 0.0123 0.29 6 10.5 0.30 2 1.1446 6.03
6 3.52 5 0.0128 0.32 6 10.3 0.33 2 1.1137 7.54
7 3.58 5 0.0139 0.35 6 10.8 0.30 1 1.0977 6.04
8 3.61 5 0.0128 0.36 7 10.3 0.30 3 1.2013 7.38
9 3.78 5 0.0134 0.35 7 11.1 0.30 3 1.2002 7.83
10 3.83 9 0.0142 0.34 7 11.1 0.30 1 1.0850 5.65
11 3.85 4 0.0135 0.33 5 10.6 0.48 1 1.1964 7.85
12 3.87 6 0.0154 0.66 5 10.7 0.30 1 0.9796 6.23
13 3.97 6 0.0152 0.56 6 9.9 0.39 1 1.0460 5.46
14 3.98 6 0.0143 0.32 8 11.0 0.30 1 1.1281 5.14
15 3.98 8 0.0145 0.35 6 11.2 0.43 0 0.9694 3.99
16 4.01 6 0.0139 0.37 9 11.8 0.33 1 1.1585 5.20
17 4.07 10 0.0146 0.32 6 11.1 0.32 2 1.1439 5.82
18 4.10 5 0.0138 0.38 8 11.6 0.37 0 1.0820 4.98
19 4.16 5 0.0152 0.71 8 11.2 0.30 3 1.2596 6.55
20 4.27 7 0.0140 0.39 7 11.6 0.46 0 1.1431 4.98
Ave 3.72 5 0.0136 0.38 7 10.7 0.33 2 1.1111 6.11
+/- 0.37 2 0.0012 0.12 1 0.7 0.06 1 0.0802 1.06
Min 3.01 0 0.0115 0.19 5 8.5 0.30 0 0.9694 3.99
Max 4.27 10 0.0154 0.71 9 11.8 0.48 4 1.2596 7.85
Cut 0.20 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper QG1 VAL 20 - H LYS 114 3.97 6 0.10 0.33 +++ * + + peak 2804
Upper HG2 MET 77 - H GLY 78 4.92 6 0.13 0.26 + + + + + * peak 4697
Upper HA GLU 83 - HD22 ASN 86 4.93 6 0.16 0.27 + + + *+ + peak 2212
Upper QG1 VAL 98 - HG2 MET 117 4.30 8 0.12 0.33 ++ +*++ + + peak 915
Upper H VAL 168 - H LEU 169 4.09 9 0.12 0.25 + ++ ++*+ + + peak 1899
VdW HA ASP 28 - CD PRO 29 2.60 20 0.26 0.30 +++*++++++++++++++++
VdW CG2 ILE 32 - C ILE 32 2.90 8 0.19 0.25 *+ + ++ + ++
VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 +++*++++++++++++++++
VdW CG1 VAL 75 - C VAL 75 2.90 13 0.19 0.23 +++*+++++ + + ++
VdW O ARG 104 - O ASN 107 2.60 19 0.26 0.30 +++++++*+++ ++++++++
VdW O ASN 120 - C LYS 121 2.80 18 0.31 0.48 ++ +++ +++*+++++++++
VdW HA ASP 123 - CD PRO 124 2.60 19 0.26 0.30 +++++++ +++*++++++++
Angle PHI GLU 105 -68.00 -48.00 6 3.69 7.85 + + ++ * +
Angle PHI TRP 118 -129.00 -69.00 9 4.90 6.53 *++ +++ + + +
Angle PSI ASN 120 -9.00 11.00 9 4.75 6.07 ++ *+ +++ ++
5 violated distance constraints.
3 violated angle constraints.
RMSDs for residues 18..123:
Average backbone RMSD to mean : 0.43 +/- 0.08 A (0.33..0.63 A; 20 structures)
Average heavy atom RMSD to mean : 0.97 +/- 0.10 A (0.83..1.17 A; 20 structures)