Structural statistics:
str target upper limits lower limits van der Waals torsion angles
function # rms max # rms max # sum max # rms max
1 0.95 29 0.0050 0.33 0 0.0012 0.01 4 3.5 0.27 0 0.1897 1.68
2 0.96 24 0.0034 0.19 0 0.0004 0.00 4 4.1 0.27 0 0.1791 1.86
3 0.98 21 0.0041 0.19 0 0.0001 0.00 4 4.0 0.27 0 0.1676 1.88
4 1.03 26 0.0041 0.19 0 0.0000 0.00 4 3.9 0.31 0 0.1804 1.69
5 1.03 36 0.0055 0.25 0 0.0000 0.00 4 3.9 0.27 0 0.1773 1.81
6 1.04 23 0.0048 0.30 0 0.0000 0.00 5 4.0 0.27 0 0.1913 1.88
7 1.05 28 0.0054 0.26 0 0.0005 0.00 4 4.0 0.28 0 0.1841 1.63
8 1.08 33 0.0043 0.19 0 0.0005 0.00 4 4.3 0.27 0 0.1638 1.68
9 1.09 30 0.0054 0.24 0 0.0007 0.01 4 3.8 0.28 0 0.1740 1.61
10 1.10 36 0.0052 0.24 0 0.0000 0.00 4 4.0 0.28 0 0.1672 1.74
11 1.12 33 0.0059 0.33 0 0.0005 0.00 4 3.9 0.28 0 0.2012 1.73
12 1.13 26 0.0050 0.30 0 0.0007 0.01 5 4.2 0.27 0 0.1754 1.72
13 1.20 37 0.0059 0.24 0 0.0003 0.00 4 4.2 0.28 0 0.1745 1.59
14 1.20 29 0.0037 0.19 0 0.0000 0.00 5 4.7 0.28 0 0.1978 1.68
15 1.21 28 0.0063 0.33 0 0.0002 0.00 4 3.8 0.30 0 0.1683 1.41
16 1.27 28 0.0050 0.21 0 0.0000 0.00 4 4.6 0.28 0 0.1781 1.65
17 1.28 48 0.0063 0.22 0 0.0006 0.00 4 4.5 0.27 0 0.2344 1.75
18 1.30 38 0.0062 0.26 0 0.0000 0.00 4 4.7 0.27 0 0.1896 1.90
19 1.34 33 0.0075 0.55 0 0.0011 0.01 4 4.2 0.27 0 0.1938 1.90
20 1.36 55 0.0065 0.26 0 0.0009 0.01 4 4.7 0.27 0 0.2082 1.67
Ave 1.14 32 0.0053 0.26 0 0.0004 0.00 4 4.1 0.28 0 0.1848 1.72
+/- 0.12 8 0.0010 0.08 0 0.0004 0.00 0 0.3 0.01 0 0.0164 0.12
Min 0.95 21 0.0034 0.19 0 0.0000 0.00 4 3.5 0.27 0 0.1638 1.41
Max 1.36 55 0.0075 0.55 0 0.0012 0.01 5 4.7 0.31 0 0.2344 1.90
Cut 0.02 0.20 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper HA THR 8 - HB3 SER 9 4.44 14 0.03 0.08 *+ + ++ ++ ++++++ + peak 8684
Upper HA SER 9 - HB ILE 28 4.14 20 0.04 0.07 *+++++++++++++++++++ peak 9031
Upper HB3 SER 9 - QE PHE 10 6.00 20 0.12 0.19 ++++++++++*+++++++++ peak 11140
Upper HB3 PHE 10 - QG2 VAL 69 4.24 8 0.02 0.05 ++ ++ +++* peak 9807
Upper QD PHE 10 - H ILE 11 3.94 15 0.03 0.05 + +++ +*++++ +++++ peak 6084
Upper QD PHE 10 - HG2 GLN 27 6.00 10 0.02 0.04 ++ + ++ + +* ++ peak 11088
Upper QE PHE 10 - QG1 VAL 25 4.44 20 0.03 0.05 ++++++++++*+++++++++ peak 8967
Upper HB ILE 11 - H LEU 12 3.40 19 0.04 0.05 *+++++++++ +++++++++ peak 160
Upper QG2 ILE 11 - QD1 ILE 28 3.54 9 0.02 0.04 +* ++ + ++ + + peak 8762
Upper O ILE 11 - H ASP 26 2.00 11 0.02 0.10 +++++ + *+ ++ +
Upper H GLN 27 - HB3 SER 34 4.82 6 0.04 0.15 *+ + + + + peak 9115
Upper H GLN 27 - HG LEU 36 5.36 6 0.01 0.06 ++ + + + * peak 11261
Upper QD1 ILE 28 - HA THR 33 4.97 14 0.02 0.04 *+++++++ ++ ++ + + peak 8180
Upper QD1 ILE 28 - QG2 THR 33 2.87 19 0.06 0.11 ++++++++++ ++++++*++ peak 9104
Upper H VAL 29 - H GLY 32 3.46 6 0.01 0.05 ++ * + + + peak 10813
Upper HB VAL 29 - HB2 SER 34 5.02 6 0.07 0.26 ++ + + * + peak 8231
Upper QG2 VAL 29 - HA2 GLY 32 5.47 6 0.03 0.12 ++ + + + * peak 9098
Upper QG2 VAL 29 - H THR 33 4.18 6 0.01 0.04 ++ * + + + peak 8212
Upper HE3 TRP 42 - H ALA 47 4.09 7 0.02 0.05 + + +* + ++ peak 9263
Upper HZ3 TRP 42 - HA ASP 46 5.94 18 0.04 0.07 +++ ++++++++++ ++++* peak 10409
Upper H LYS 58 - HG12 ILE 61 4.32 6 0.02 0.03 * + + +++ peak 10761
Upper HB2 LYS 58 - H ILE 61 3.37 7 0.02 0.03 +* ++ + ++ peak 6801
Upper HD1 TRP 60 - H ILE 61 4.16 11 0.02 0.04 + ++ +++++ + *+ peak 6794
Upper O ALA 62 - H ARG 66 2.00 15 0.03 0.06 +*+ ++++ + + ++ ++++
Upper O ALA 64 - H ASN 68 2.00 18 0.04 0.05 + +++++++++++ ++*+++
Upper O ASP 65 - N VAL 69 3.00 7 0.02 0.03 ++ + +++*
Upper O ASP 65 - H VAL 69 2.00 20 0.05 0.07 +++++++++++++*++++++
Upper HG3 ARG 66 - QD1 LEU 70 4.25 8 0.02 0.04 +* + + +++ + peak 9712
Upper QD2 LEU 83 - HE3 LYS 88 3.65 9 0.05 0.20 ++ + ++ + * ++ peak 10084
Upper HB2 LYS 88 - HG2 LYS 88 2.91 7 0.02 0.08 +* ++ + ++ peak 3426
Upper HG3 LYS 88 - HD2 LYS 88 2.72 8 0.07 0.19 ++ ++ + *++ peak 3462
Upper O PHE 99 - N VAL 102 3.00 20 0.12 0.12 ++++++++++++*+++++++
Upper O PHE 99 - H VAL 102 2.00 20 0.19 0.19 ++++++++++++*+++++++
Upper HG2 PRO 100 - H GLU 101 2.79 20 0.06 0.06 ++++++++++*+++++++++ peak 7258
Upper QD2 LEU 109 - H GLU 110 3.81 8 0.02 0.08 + ++++ + * + peak 10492
VdW HA TRP 42 - C PRO 43 2.50 20 0.22 0.23 +++*++++++++++++++++
VdW CG TRP 42 - C TRP 42 2.90 20 0.23 0.24 +++++++++++++++++++*
VdW O PRO 43 - C ARG 44 2.80 20 0.26 0.31 +++*++++++++++++++++
VdW CG2 ILE 61 - C ILE 61 2.90 20 0.27 0.28 +++++++++++++++*++++
35 violated distance restraints.
4 violated van der Waals restraints.
0 violated angle restraints.
RMSDs for residues 8..80:
Average backbone RMSD to mean : 0.14 +/- 0.04 A (0.08..0.24 A; 20 structures)
Average heavy atom RMSD to mean : 0.53 +/- 0.07 A (0.39..0.73 A; 20 structures)