Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 0.53 19 0.0034 0.11 1 2.4 0.30 0 0.1222 1.06
2 0.54 25 0.0034 0.11 1 2.5 0.30 0 0.1323 1.12
3 0.59 23 0.0039 0.15 1 2.7 0.30 0 0.1322 1.06
4 0.64 26 0.0041 0.13 2 2.7 0.30 0 0.1435 1.21
5 0.64 30 0.0034 0.12 2 3.0 0.30 0 0.1693 1.43
6 0.65 21 0.0034 0.11 2 2.8 0.30 0 0.1275 1.12
7 0.65 26 0.0037 0.15 1 3.0 0.30 0 0.1806 1.49
8 0.67 26 0.0037 0.12 1 2.9 0.30 0 0.1072 0.93
9 0.67 28 0.0037 0.12 1 3.1 0.30 0 0.1080 0.95
10 0.70 29 0.0039 0.16 1 3.3 0.30 0 0.1929 1.68
11 0.71 32 0.0037 0.11 3 3.1 0.30 0 0.1938 1.60
12 0.78 32 0.0060 0.29 3 2.6 0.30 0 0.1352 1.12
13 0.79 32 0.0046 0.21 2 3.3 0.30 0 0.1438 0.96
14 0.81 28 0.0061 0.29 1 3.0 0.30 0 0.1248 1.07
15 0.81 21 0.0063 0.46 2 2.9 0.30 0 0.1254 0.94
16 0.82 26 0.0068 0.47 1 2.6 0.30 0 0.1420 1.23
17 0.83 24 0.0068 0.47 1 2.7 0.30 0 0.1278 1.08
18 0.84 36 0.0049 0.20 3 3.4 0.30 0 0.1916 1.26
19 0.84 34 0.0067 0.47 1 3.1 0.30 0 0.1368 1.17
20 0.85 38 0.0062 0.29 2 3.1 0.30 0 0.1673 1.35
Ave 0.72 28 0.0047 0.23 2 2.9 0.30 0 0.1452 1.19
+/- 0.10 5 0.0013 0.13 1 0.3 0.00 0 0.0268 0.21
Min 0.53 19 0.0034 0.11 1 2.4 0.30 0 0.1072 0.93
Max 0.85 38 0.0068 0.47 3 3.4 0.30 0 0.1938 1.68
Cut 0.02 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper HB2 LYS 13 - HD2 PRO 14 4.95 7 0.02 0.07 * ++ ++++ peak 4813
Upper HA ARG 26 - HB2 LEU 29 4.42 20 0.12 0.16 +++++++++*++++++++++ peak 5348
Upper HB2 LEU 29 - QB ALA 30 4.64 14 0.03 0.05 ++++ + +++++*+++ peak 4843
Upper HB3 LEU 29 - H ALA 30 4.16 15 0.03 0.05 ++ +++++*+++ + ++ + peak 82
Upper HG2 MET 31 - H LYS 32 5.47 11 0.03 0.07 ++ * +++ +++ + + peak 3774
Upper HG2 LYS 32 - H ILE 33 4.82 7 0.02 0.07 + ++ + * + + peak 99
Upper H ILE 33 - QD2 LEU 64 4.96 7 0.02 0.04 + + +++ * + peak 5559
Upper QD1 ILE 33 - H VAL 65 4.43 6 0.02 0.03 + + *+ + + peak 5795
Upper HA PRO 34 - QE PHE 35 6.13 20 0.08 0.09 +++++++++++*++++++++ peak 5935
Upper QD PHE 35 - HG2 PRO 36 4.57 18 0.03 0.04 ++++++ ++ *+++++++++ peak 4650
Upper QE PHE 35 - H ILE 40 4.81 14 0.02 0.04 +++ ++ ++ +++ +++* peak 5122
Upper HA ASP 38 - QG1 VAL 41 4.95 6 0.01 0.03 * ++ + + + peak 4334
Upper H LEU 43 - HD2 PRO 44 4.89 19 0.09 0.12 +++++++++++++++++ *+ peak 5640
Upper QD2 LEU 43 - QD PHE 48 5.71 13 0.03 0.06 ++ ++ +++++ + ++* peak 4919
Upper HA PRO 44 - QG2 VAL 45 5.36 20 0.07 0.08 ++++++++++++++++*+++ peak 5650
Upper H VAL 45 - QG2 VAL 45 3.64 20 0.08 0.09 ++++++++++++++++*+++ peak 629
Upper HB VAL 45 - H ASP 46 3.85 19 0.04 0.05 ++++*++++++++++++ ++ peak 3835
Upper QG1 VAL 45 - QD PHE 48 5.32 7 0.02 0.04 + + ++ * ++ peak 5656
Upper H ASP 47 - HB2 ASP 47 3.50 17 0.05 0.08 ++*+++ +++++++ ++ ++ peak 637
Upper H GLU 50 - QB ALA 53 5.14 13 0.02 0.03 + + ++++ + +++*++ peak 4501
Upper H LEU 57 - HG LEU 62 4.64 19 0.10 0.11 +++++++++++ +++++*++ peak 5747
Upper HA GLU 59 - HB3 LEU 62 4.02 19 0.05 0.06 +++ ++++++++*+++++++ peak 4638
Upper H GLN 61 - HB3 LEU 62 5.78 17 0.03 0.04 +++ +++++++ ++ ++*++ peak 5778
Upper QD1 LEU 62 - QG2 VAL 65 4.18 20 0.07 0.09 ++++++++*+++++++++++ peak 5006
Upper HA ALA 63 - HB2 ARG 66 4.63 10 0.02 0.04 +++ *+ +++ ++ peak 5369
Upper H ARG 70 - HG2 ARG 70 4.21 8 0.02 0.07 ++ * + +++ + peak 2864
Upper H LYS 73 - HB3 LYS 73 3.32 7 0.02 0.08 + + ++*+ + peak 788
Upper HA LYS 75 - H VAL 76 3.42 18 0.06 0.14 +++++++++ +* +++++++ peak 3975
VdW HA ILE 33 - CD PRO 34 2.60 20 0.30 0.30 *+++++++++++++++++++
VdW HA TYR 55 - CD PRO 56 2.60 6 0.20 0.24 ++ *+ + +
28 violated distance restraints.
2 violated van der Waals restraints.
0 violated angle restraints.
RMSDs for residues 21..66:
Average backbone RMSD to mean : 0.37 +/- 0.18 A (0.15..0.93 A; 20 structures)
Average heavy atom RMSD to mean : 0.88 +/- 0.10 A (0.74..1.18 A; 20 structures)