Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 68.81 12 0.0390 1.37 37 41.1 0.46 13 2.2237 10.25
2 69.20 13 0.0396 1.81 32 35.7 0.41 10 2.4904 15.18
3 69.24 11 0.0393 1.44 38 38.9 0.43 17 2.5272 12.44
4 69.38 10 0.0395 1.80 27 35.6 0.40 11 3.4145 30.81
5 69.71 12 0.0395 1.49 35 37.4 0.41 8 2.4903 15.14
6 69.78 12 0.0394 1.62 39 40.1 0.48 8 2.4807 14.20
7 69.89 10 0.0394 1.33 32 39.8 0.47 14 2.7431 13.22
8 70.00 10 0.0398 1.47 31 39.3 0.42 9 2.0999 10.97
9 70.01 10 0.0395 1.45 27 40.8 0.42 9 2.7032 18.49
10 70.33 12 0.0402 1.59 28 36.0 0.38 9 2.1903 10.62
11 70.73 15 0.0398 1.39 34 39.8 0.47 8 1.9887 10.51
12 70.98 13 0.0396 1.35 37 41.3 0.39 13 2.4719 10.60
13 71.00 11 0.0391 1.54 40 42.8 0.45 12 2.9370 20.16
14 71.01 9 0.0397 1.49 38 39.1 0.47 14 2.6519 12.47
15 71.15 11 0.0392 1.41 47 43.2 0.42 17 2.6611 10.98
16 71.27 11 0.0397 1.58 37 38.7 0.43 10 2.6890 18.83
17 71.39 12 0.0403 1.42 29 37.0 0.40 10 2.4694 20.23
18 71.51 14 0.0403 1.52 32 35.9 0.45 12 2.5037 12.85
19 71.87 12 0.0395 1.45 41 41.9 0.43 13 2.6369 16.26
20 72.24 11 0.0401 1.44 38 41.1 0.40 9 2.4094 14.33
Ave 70.48 12 0.0396 1.50 35 39.3 0.43 11 2.5391 14.93
+/- 0.95 1 0.0004 0.13 5 2.3 0.03 3 0.3005 4.84
Min 68.81 9 0.0390 1.33 27 35.6 0.38 8 1.9887 10.25
Max 72.24 15 0.0403 1.81 47 43.2 0.48 17 3.4145 30.81
Cut 0.90 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper H LEU 22 - HA ARG 23 3.08 15 0.97 1.25 ++ +++ +*++ ++++++ peak 10728
Upper H THR 25 - H LYS 26 3.15 17 1.01 1.34 ++++ +++++++ +++++* peak 6245
Upper HA LYS 31 - H ILE 32 2.50 6 0.65 0.96 + * + +++ peak 6342
Upper HA ILE 32 - HB3 SER 33 3.98 18 1.33 1.59 + + +++++*++++++++++ peak 10859
Upper HB2 SER 33 - HA ALA 34 3.91 19 1.10 1.81 +*+ ++++++++++++++++ peak 10865
Upper H LYS 36 - HG3 LYS 36 3.60 18 0.92 1.11 +*+ ++++ +++++++++++ peak 6395
Upper H LYS 36 - HB ILE 37 4.24 6 0.84 1.24 + + * + + + peak 10894
Upper HB2 LYS 36 - QG2 ILE 37 4.20 18 1.27 1.62 +++ +*++ +++++++++++ peak 10822
Upper HB2 CYS 79 - QG2 ILE 80 4.98 17 0.96 1.04 +++++++ ++++*+++ ++ peak 11214
Upper QG1 VAL 105 - HA SER 106 4.27 16 1.07 1.17 ++++ + ++++ ++*++++ peak 11534
Upper HB VAL 112 - HD3 PRO 113 3.84 10 0.74 1.08 +++ ++ + +* ++ peak 11571
Upper HA2 GLY 114 - HB THR 115 3.83 13 0.95 1.29 + +++ +++*+ ++++ peak 10187
Upper HA PRO 117 - HB VAL 118 4.67 13 0.95 1.08 + +++*+++++ + ++ peak 11542
Upper QD2 LEU 119 - HB2 ASN 120 4.87 9 0.79 1.09 ++ * + + + + + + peak 10293
QD2 LEU 119 - HB3 ASN 120
VdW CG2 THR 18 - C THR 18 2.90 17 0.25 0.32 ++*+++ ++++ ++++ +++
VdW CG LYS 36 - C LYS 36 2.90 17 0.22 0.24 + + ++++ ++++++++*++
VdW HG2 LYS 36 - C LYS 36 2.50 18 0.37 0.48 + + +*++++++++++++++
VdW O LYS 36 - C ILE 37 2.80 16 0.25 0.40 +++* + + +++++++++ +
VdW N ILE 37 - CG1 ILE 37 2.85 16 0.22 0.24 +++++ ++ +++ ++ ++*+
VdW N ILE 37 - HG12 ILE 37 2.45 17 0.27 0.35 +++ + ++ +++++++++*+
VdW H ILE 37 - CG1 ILE 37 2.55 20 0.36 0.41 ++++*+++++++++++++++
VdW H ILE 37 - HG12 ILE 37 1.95 19 0.35 0.47 +++ +++++++++*++++++
VdW H LEU 70 - CG LEU 70 2.55 9 0.13 0.34 + + + +* +++ +
VdW H LEU 70 - HG LEU 70 1.95 7 0.11 0.34 + + ++ + * +
VdW CG1 VAL 77 - N ASP 78 3.05 10 0.18 0.29 +* + ++++ ++ +
VdW O CYS 79 - C ILE 80 2.80 15 0.20 0.29 ++ +++* ++++++ ++ +
VdW HA ILE 80 - CD PRO 81 2.60 8 0.21 0.31 +++ ++ + *+
VdW CG2 ILE 80 - C ILE 80 2.90 15 0.26 0.33 ++ ++++ +*++++ ++ +
VdW CG1 VAL 93 - C VAL 93 2.90 13 0.19 0.26 + +++++++++ + + *
VdW N GLN 104 - HG2 GLN 104 2.45 9 0.15 0.32 +++ + +++ * +
VdW H GLN 104 - CG GLN 104 2.55 7 0.14 0.31 + ++ + * ++
VdW H GLN 104 - HG2 GLN 104 1.95 6 0.12 0.32 ++ + * + +
VdW CB GLN 104 - HE21 GLN 104 2.55 7 0.14 0.34 + ++ ++* +
VdW N VAL 112 - CG2 VAL 112 2.85 8 0.12 0.25 +++ + +*+ +
VdW HA VAL 112 - CD PRO 113 2.60 12 0.22 0.27 *++ +++ + ++ +++
VdW CG1 VAL 112 - HD2 PRO 113 2.60 11 0.19 0.32 +++++ * +++ ++
VdW O PRO 113 - C GLY 114 2.80 6 0.13 0.37 + ++ + *+
VdW HA ASN 116 - CD PRO 117 2.60 13 0.21 0.30 ++++++ + +*+ ++ +
VdW C ASN 116 - H VAL 118 2.45 8 0.16 0.38 ++ + + +* ++
VdW HA VAL 126 - CG1 ILE 129 2.60 6 0.14 0.35 *+ + +++
VdW CG GLU 128 - C GLU 128 2.90 9 0.18 0.24 + + ++ + ++ * +
VdW HG3 GLU 128 - C GLU 128 2.50 7 0.15 0.47 ++ * ++ + +
VdW H ILE 129 - CG1 ILE 129 2.55 9 0.15 0.34 +++ *+ ++ ++
VdW H ILE 129 - HG12 ILE 129 1.95 15 0.21 0.33 ++ ++++ ++++*+ +++
VdW H VAL 133 - CG1 VAL 133 2.55 9 0.15 0.41 +* + + ++ + ++
VdW H VAL 133 - CG2 VAL 133 2.55 7 0.10 0.29 + + + ++ + *
VdW CG2 VAL 133 - C VAL 133 2.90 10 0.14 0.32 ++ + * ++ + +++
Angle PHI LYS 36 -93.10 -50.30 20 7.57 12.41 ++++++++*+++++++++++
Angle PHI SER 51 -76.00 -56.00 6 3.96 18.49 + + * + ++
Angle PSI PRO 56 126.00 162.00 18 10.82 16.09 ++*++++++++++++ +++
Angle PHI VAL 57 -140.60 -66.90 16 7.81 12.87 +++++*++ ++++++ + +
Angle PHI TYR 76 -73.60 -53.60 7 4.39 6.04 ++ ++ ++ *
Angle PHI ARG 90 -71.60 -51.40 12 5.20 9.13 ++ + ++++*+ +++
Angle PHI GLU 102 -78.80 -50.40 11 5.62 11.54 + +++*++ ++ + +
Angle PSI GLU 102 -54.00 -27.70 12 5.22 14.20 +++ +*++ ++++ +
Angle PSI PRO 113 122.00 170.00 13 6.16 20.23 + ++++ +++++ * ++
Angle PHI VAL 118 -73.20 -49.90 11 7.15 18.83 ++ + + ++++*+ +
14 violated distance restraints.
33 violated van der Waals restraints.
10 violated angle restraints.
RMSDs for residues 36..131:
Average backbone RMSD to mean : 0.93 +/- 0.22 A (0.63..1.44 A; 20 structures)
Average heavy atom RMSD to mean : 1.15 +/- 0.17 A (0.91..1.50 A; 20 structures)