Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 9.69 6 0.0304 0.62 15 21.8 0.31 10 2.5532 16.39
2 12.57 18 0.0402 0.79 19 23.7 0.38 8 2.2324 11.73
3 13.93 13 0.0410 1.11 16 25.0 0.43 12 2.7093 14.68
4 14.70 15 0.0427 0.84 22 24.4 0.50 16 2.9067 17.79
5 14.84 12 0.0388 0.83 27 25.1 0.52 14 2.5754 14.76
6 14.93 17 0.0422 1.13 19 27.1 0.56 12 2.5961 15.21
7 15.04 14 0.0420 1.13 18 29.0 0.49 10 2.1429 11.75
8 15.06 12 0.0423 1.15 21 26.1 0.50 17 3.1404 22.61
9 15.26 16 0.0456 1.10 20 25.2 0.43 11 2.6680 16.21
10 15.48 13 0.0422 1.02 22 28.0 0.42 14 2.8083 14.59
11 15.86 17 0.0469 0.99 19 27.0 0.47 11 2.4559 13.02
12 16.13 19 0.0465 1.12 15 28.1 0.44 13 2.8856 16.26
13 16.13 18 0.0430 0.78 29 30.2 0.43 8 2.2829 17.93
14 16.33 18 0.0444 0.73 22 28.4 0.42 15 2.8818 14.90
15 16.39 19 0.0427 1.11 22 26.6 0.43 21 3.2287 15.67
16 16.54 15 0.0456 1.21 20 26.4 0.47 21 3.1852 15.65
17 16.58 15 0.0446 0.78 27 29.3 0.42 12 2.5527 12.81
18 16.69 12 0.0406 1.13 28 28.8 0.44 15 3.0071 14.52
19 16.75 13 0.0470 1.11 21 28.4 0.39 14 2.9211 14.91
20 16.99 17 0.0471 0.87 20 29.8 0.49 16 2.6707 15.07
Ave 15.29 15 0.0428 0.98 21 26.9 0.45 14 2.7202 15.32
+/- 1.67 3 0.0037 0.17 4 2.1 0.05 4 0.3000 2.33
Min 9.69 6 0.0304 0.62 15 21.8 0.31 8 2.1429 11.73
Max 16.99 19 0.0471 1.21 29 30.2 0.56 21 3.2287 22.61
Cut 0.30 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper HG12 ILE 32 - QD2 LEU 36 3.66 6 0.17 0.79 +* +++ + peak 176
Upper H MET 35 - HG LEU 36 5.50 8 0.18 0.56 +++ + ++ + * peak 1020
Upper HB3 PHE 50 - HB ILE 63 5.47 15 0.39 0.52 +++*+ ++ +++ +++ ++ peak 2240
Upper HD1 TRP 118 - HG12 ILE 119 4.60 6 0.17 0.36 + + + + * + peak 305
Upper HA ARG 137 - QD1 LEU 138 4.93 11 0.57 1.13 + *+ +++++ + ++ peak 1001
Upper HB2 LEU 138 - HD2 HIS 139 4.60 11 0.24 0.69 + ++ ++*++ + ++ peak 683
Upper HB2 LEU 138 - HE1 HIS 139 4.55 10 0.23 0.71 + ++ ++*++ + + peak 642
Upper QD1 LEU 138 - HD2 HIS 139 4.30 9 0.30 0.83 ++ +* + + ++ + peak 483
Upper HD2 HIS 139 - HA LYS 140 4.26 8 0.23 0.64 ++ ++ + *+ + peak 481
VdW HA ASP 28 - CD PRO 29 2.60 7 0.16 0.31 * +++ ++ +
VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 ++++++++++++*+++++++
VdW O GLN 51 - HA ILE 63 2.30 12 0.23 0.43 ++ +++++ +++ *+
VdW CG1 VAL 64 - C VAL 64 2.90 6 0.10 0.33 *+ + ++ +
VdW CG2 ILE 102 - CD1 ILE 102 3.00 15 0.23 0.31 ++ + ++++++++ + +*+
VdW O ASP 106 - CB ASN 107 2.90 9 0.18 0.52 + +* ++ ++ + +
VdW CG2 THR 115 - C THR 115 2.90 12 0.23 0.32 +++ * +++++ + ++
VdW CG TRP 118 - C TRP 118 2.90 10 0.14 0.25 + ++ ++ + + *++
VdW CD1 TRP 118 - C TRP 118 3.10 13 0.22 0.41 + ++ + ++ + ++*+++
VdW CG LYS 121 - C LYS 121 2.90 6 0.07 0.23 + + + * ++
VdW CB PRO 124 - H ASP 125 2.55 6 0.07 0.26 + ++ +*+
VdW CG ARG 137 - C ARG 137 2.90 8 0.11 0.24 + + +* ++ + +
VdW CD1 LEU 138 - C LEU 138 3.10 8 0.17 0.44 + *+ ++ + + +
VdW N HIS 139 - CG HIS 139 2.85 10 0.20 0.22 ++ +* + + ++ ++
VdW N HIS 139 - CD2 HIS 139 3.05 8 0.15 0.29 ++ ++ + ++ *
VdW H HIS 139 - CD2 HIS 139 2.55 9 0.21 0.30 ++ ++ ++ +* +
Angle PHI VAL 34 -81.00 -61.00 8 5.04 9.98 + +*+ ++ ++
Angle PSI LEU 47 94.00 144.00 16 7.55 12.01 +++++++* +++++++ +
Angle PSI ARG 52 118.00 150.00 6 2.89 11.73 *+ + ++ +
Angle PSI CYS 62 148.00 170.00 14 6.37 11.98 ++++ +++* ++++++
Angle PHI ILE 63 -151.00 -129.00 18 9.02 17.93 ++++++ ++++*+++++++
Angle PHI ASP 106 -81.00 -55.00 6 3.32 5.93 +* + + ++
Angle PHI ILE 119 -78.00 -50.00 14 9.17 15.21 ++++ * ++ + ++++++
Angle PSI ILE 119 -43.00 -21.00 15 9.77 17.79 + +*+++ ++ + ++++++
Angle PHI ASN 120 -107.00 -79.00 16 7.89 15.65 + +*+++ ++ + +++++++
Angle PSI ASN 120 -9.00 11.00 8 4.03 10.92 + +* +++++
Angle PSI TRP 135 -52.00 -32.00 7 3.06 8.64 + + + ++* +
Angle PSI ARG 137 -51.00 -31.00 17 8.66 14.14 +++++++++*+++ + +++
Angle PHI LEU 138 -91.00 -71.00 18 6.74 10.54 + +++++++*++ +++++++
Angle PHI HIS 139 -115.00 -77.00 9 4.01 8.25 ++ ++ + +* + +
9 violated distance constraints.
14 violated angle constraints.
RMSDs for residues 18..164:
Average backbone RMSD to mean : 7.99 +/- 1.37 A (5.69..11.01 A)
Average heavy atom RMSD to mean : 8.18 +/- 1.33 A (6.06..10.93 A)