Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 6.70 4 0.0128 0.52 9 16.8 0.33 3 1.3807 10.40
2 6.94 3 0.0129 0.43 9 17.3 0.31 3 1.3502 10.01
3 7.06 6 0.0137 0.53 8 16.6 0.31 4 1.4268 9.49
4 7.26 5 0.0139 0.54 8 16.5 0.33 6 1.5018 9.92
5 7.76 4 0.0129 0.47 10 19.5 0.33 6 1.6288 9.80
6 7.91 3 0.0140 0.47 10 19.1 0.32 3 1.5462 10.59
7 8.29 9 0.0153 0.73 7 18.8 0.30 2 1.3648 9.81
8 8.42 7 0.0151 0.78 9 18.5 0.33 2 1.3679 9.86
9 8.56 13 0.0161 0.83 6 17.7 0.31 3 1.3950 10.21
10 8.65 7 0.0148 0.81 11 19.7 0.33 4 1.5332 10.06
11 8.66 11 0.0161 0.69 7 17.7 0.32 5 1.4962 9.96
12 8.73 6 0.0159 1.16 8 18.6 0.33 3 1.4934 11.54
13 8.83 11 0.0165 0.65 6 18.0 0.33 2 1.3520 10.03
14 8.89 8 0.0147 0.65 14 18.7 0.36 3 1.2896 9.56
15 9.01 10 0.0161 0.49 6 18.2 0.33 6 1.6148 10.07
16 9.07 7 0.0165 1.12 8 18.0 0.33 3 1.5536 12.16
17 9.07 9 0.0154 0.47 10 20.2 0.31 3 1.5871 12.36
18 9.10 7 0.0157 0.53 9 19.1 0.33 7 1.7140 9.85
19 9.20 10 0.0159 0.63 9 19.3 0.33 7 1.7318 10.03
20 9.35 10 0.0159 0.53 10 19.9 0.33 7 1.7128 9.74
Ave 8.37 8 0.0150 0.65 9 18.4 0.33 4 1.5020 10.27
+/- 0.80 3 0.0012 0.20 2 1.1 0.01 2 0.1310 0.78
Min 6.70 3 0.0128 0.43 6 16.5 0.30 2 1.2896 9.49
Max 9.35 13 0.0165 1.16 14 20.2 0.36 7 1.7318 12.36
Cut 0.30 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper H SER 33 - HB2 SER 33 3.17 7 0.19 0.54 + ++ * + + + peak 6367
Upper H LYS 36 - HG2 LYS 36 3.87 19 0.44 0.48 ++*++++++++++ ++++++ peak 6394
Upper QG1 VAL 77 - HG3 LYS 86 3.92 6 0.19 0.32 + + + + + * peak 9650
Upper HA ASN 120 - HD22 ASN 120 4.64 7 0.15 0.39 ++* + + ++ peak 7684
Upper HB2 ASN 120 - HA ASN 121 4.32 7 0.14 0.37 +++ + + +* peak 11626
HB3 ASN 120 - HA ASN 121
Upper QD2 LEU 122 - H CYS 125 4.24 10 0.31 0.48 ++ + * ++++ ++ peak 10366
VdW CG1 VAL 77 - C VAL 77 2.90 15 0.22 0.27 +*+++++ + +++ +++ +
VdW HA ILE 80 - CD PRO 81 2.60 20 0.26 0.30 +++++++++++++*++++++
VdW CG2 ILE 80 - C ILE 80 2.90 19 0.31 0.33 ++++++ ++++++++++++*
VdW HG LEU 96 - C LEU 96 2.50 7 0.20 0.26 + + + *+ + +
VdW HA VAL 112 - CD PRO 113 2.60 20 0.26 0.27 +++++++*++++++++++++
VdW O PRO 113 - C GLY 114 2.80 20 0.28 0.30 +*++++++++++++++++++
VdW HA ASN 116 - CD PRO 117 2.60 17 0.21 0.25 +++++ +++++* + +++++
Angle PSI PRO 56 126.00 162.00 20 10.27 12.36 ++++++++++++++++*+++
Angle PHI VAL 57 -140.60 -66.90 20 8.46 9.28 +++++*++++++++++++++
Angle PSI CYS 73 -50.30 -30.30 6 4.70 5.48 + + + ++*
Angle PSI GLU 102 -54.00 -27.70 8 4.45 6.30 + ++ +++ + *
6 violated distance restraints.
7 violated van der Waals restraints.
4 violated angle restraints.
RMSDs for residues 36..131:
Average backbone RMSD to mean : 0.25 +/- 0.05 A (0.16..0.36 A; 20 structures)
Average heavy atom RMSD to mean : 0.63 +/- 0.06 A (0.49..0.73 A; 20 structures)