Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 10.55 43 0.0293 0.37 19 20.0 0.36 14 3.5242 20.24
2 10.55 43 0.0304 0.44 17 20.1 0.36 10 3.4757 19.87
3 11.29 46 0.0331 0.61 15 21.1 0.38 15 3.6247 20.11
4 12.08 39 0.0299 0.53 27 23.8 0.39 17 3.5024 19.57
5 12.81 54 0.0334 0.65 21 23.7 0.33 20 3.8305 18.98
6 12.81 41 0.0378 0.59 19 22.3 0.36 13 3.7261 22.24
7 12.98 53 0.0375 0.53 21 22.0 0.33 21 3.8256 17.83
8 13.42 51 0.0350 0.58 20 22.5 0.35 25 4.2064 19.85
9 13.58 40 0.0330 0.94 29 23.7 0.40 23 3.9856 18.98
10 13.79 53 0.0375 0.56 24 24.7 0.33 21 3.8646 18.98
11 14.15 61 0.0408 0.65 24 26.2 0.40 16 3.6045 19.40
12 14.64 45 0.0364 0.77 29 25.3 0.58 20 3.8714 21.10
13 14.82 49 0.0384 0.62 22 27.8 0.34 22 4.0419 18.20
14 14.94 55 0.0404 0.65 20 27.0 0.45 14 3.8812 19.71
15 15.03 50 0.0449 0.88 23 22.7 0.46 25 4.0449 17.81
16 19.05 55 0.0479 1.06 22 30.2 0.43 30 4.5721 20.14
17 19.75 67 0.0450 0.72 33 31.7 0.46 37 4.5544 17.76
18 21.26 53 0.0521 0.99 37 31.7 0.40 27 4.5096 19.55
19 21.31 65 0.0456 0.84 30 35.5 0.39 45 5.0936 21.03
20 21.51 51 0.0611 1.32 31 26.2 0.50 22 4.3904 24.36
Ave 15.02 51 0.0395 0.72 24 25.4 0.40 22 4.0065 19.78
+/- 3.48 8 0.0079 0.22 6 4.1 0.06 8 0.4194 1.54
Min 10.55 39 0.0293 0.37 15 20.0 0.33 10 3.4757 17.76
Max 21.51 67 0.0611 1.32 37 35.5 0.58 45 5.0936 24.36
Cut 0.10 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper HA GLN 16 - HB3 LEU 17 5.50 6 0.06 0.24 ++ + ++ * peak 83
Upper HA ASN 19 - H GLY 78 5.50 8 0.09 0.22 + + ++ ++ * + peak 119
Upper HD21 ASN 19 - H THR 46 5.44 6 0.07 0.33 + ++ ++* peak 1696
Upper HD21 ASN 19 - HB VAL 71 4.71 10 0.12 0.35 + + + *+ + ++ + + peak 1693
Upper HD22 ASN 19 - QG2 VAL 71 5.02 7 0.06 0.16 + ++ +* + + peak 1706
Upper HA PHE 21 - H LEU 76 4.11 6 0.08 0.46 + + ++ *+ peak 689
Upper QD PHE 21 - H VAL 75 5.50 8 0.13 0.69 + +++ + + +* peak 677
Upper QD PHE 21 - QG2 VAL 75 4.54 8 0.08 0.22 ++ + + *++ + peak 504
Upper H VAL 22 - H LYS 74 3.89 6 0.10 0.53 + + * + ++ peak 1318
Upper HA VAL 31 - QG1 VAL 34 3.65 6 0.07 0.29 + ++ + + * peak 1466
Upper HA VAL 31 - HZ2 TRP 135 3.95 6 0.09 0.61 * ++ + + + peak 554
Upper HB ILE 32 - H LEU 36 5.50 8 0.08 0.26 + * + + + +++ peak 175
Upper HB VAL 34 - HH2 TRP 135 5.50 8 0.12 0.41 + *++++ ++ peak 2335
Upper QG2 VAL 34 - HA LYS 148 4.50 15 0.20 0.49 ++ + *+ +++++++ +++ peak 1121
Upper HD3 PRO 40 - QG1 VAL 75 4.81 9 0.08 0.21 + +*+++ + + + peak 254
Upper QB ALA 45 - H LYS 74 4.60 12 0.13 0.66 ++++++ ++ + +* + peak 1313
Upper HB2 LEU 47 - HA ILE 102 5.50 16 0.14 0.22 ++++++++ ++* + +++ + peak 1512
Upper HG LEU 47 - HB2 PHE 50 5.50 8 0.08 0.23 + *+ + ++ ++ peak 1564
Upper HG LEU 47 - QD PHE 50 3.47 10 0.16 0.56 ++ ++ + +*+ ++ peak 176
Upper QD1 LEU 47 - HB VAL 71 4.28 7 0.08 0.36 + + + ++ +* peak 1322
Upper QD2 LEU 47 - HB THR 115 4.51 6 0.09 0.36 + + * +++ peak 1525
Upper H GLY 49 - HA GLU 70 4.10 9 0.10 0.26 * + + + + ++ + + peak 1176
Upper HB2 PHE 50 - HB ILE 63 5.50 19 0.29 0.42 +++++++++*+++ ++++++ peak 1566
Upper QD PHE 50 - HA PRO 65 5.50 6 0.06 0.21 + * + + ++ peak 369
Upper QE PHE 50 - HG12 ILE 63 4.04 8 0.10 0.31 ++ ++ ++ + * peak 252
Upper HG2 GLN 51 - H SER 66 4.13 6 0.08 0.21 + ++ + + * peak 1256
Upper QD PHE 53 - H CYS 62 5.10 12 0.16 0.65 +++ ++ ++ * ++ ++ peak 927
Upper H ILE 63 - HA MET 117 4.95 17 0.20 0.36 +++++ +++++++++ +*+ peak 991
Upper H ILE 63 - QD1 ILE 119 5.01 6 0.06 0.25 + + +* ++ peak 990
Upper QG2 ILE 63 - HB3 MET 117 4.96 7 0.09 0.34 + + + * ++ + peak 1730
Upper QG2 ILE 63 - HG13 ILE 119 5.44 17 0.22 0.81 +++++++++ +++++ ++* peak 1676
Upper HG13 ILE 63 - HB ILE 119 5.09 17 0.16 0.39 ++ +++++++++ +++++ * peak 1997
Upper HB3 LYS 74 - H LEU 76 5.50 6 0.07 0.29 + +++ + * peak 697
Upper HA TYR 95 - H ILE 119 5.50 6 0.05 0.26 + + + + +* peak 1901
Upper H GLU 96 - H ILE 119 5.50 9 0.12 0.64 + ++ + ++ ++ * peak 889
Upper HB2 ARG 97 - QD TYR 116 4.11 8 0.10 0.31 ++ + + *+ ++ peak 95
Upper HB3 ARG 97 - QD TYR 116 3.73 6 0.09 0.30 + ++ + +* peak 98
Upper QG1 VAL 98 - H MET 117 5.28 7 0.05 0.20 ++ + *++ + peak 708
Upper QG2 VAL 98 - HB2 LYS 114 4.88 7 0.07 0.37 + + + *+ ++ peak 870
Upper QG2 VAL 98 - HB3 LYS 114 4.73 10 0.14 0.43 + + + ++*+ + ++ peak 886
Upper H GLY 101 - HB ILE 102 5.50 20 0.29 0.56 +++++++++++++*++++++ peak 978
Upper H GLY 101 - HG13 ILE 102 5.50 11 0.09 0.20 ++ ++++ ++* + + peak 1954
Upper QD1 ILE 102 - HA ALA 112 5.50 9 0.12 0.37 ++ ++ ++* ++ peak 853
Upper H ASN 107 - HD21 ASN 107 5.50 8 0.08 0.33 + + + + +*+ + peak 1769
Upper H ASN 107 - H SER 108 3.87 17 0.17 0.37 +*++++ +++++++ ++++ peak 603
Upper HB2 PHE 132 - HE1 HIS 139 5.03 9 0.11 0.23 + * + + +++++ peak 968
Upper HB3 PHE 132 - HE1 HIS 139 5.10 14 0.18 0.36 +++ ++ + ++* +++++ peak 974
Upper H GLU 133 - HE1 HIS 139 5.03 16 0.21 0.31 +++++ *++++ +++ + ++ peak 1304
Upper H TRP 135 - HD2 HIS 139 5.23 20 0.31 0.39 +++++++*++++++++++++ peak 726
Upper HZ2 TRP 135 - QD PHE 147 4.88 7 0.07 0.41 + + + + * ++ peak 557
Upper HA LYS 141 - QG2 ILE 144 4.15 8 0.11 0.25 + + +*++++ peak 2400
Upper HA PHE 143 - QD PHE 147 4.69 10 0.17 0.84 ++ + + + ++ ++* peak 111
Upper QD PHE 147 - HG3 LYS 148 5.05 14 0.27 0.94 ++ +++++*+ + + +++ peak 115
Upper H ILE 150 - HG12 ILE 150 4.16 6 0.05 0.26 ++ + * ++ peak 1341
VdW HA ASP 28 - CD PRO 29 2.60 9 0.14 0.31 *+ ++ + + ++ +
VdW N VAL 34 - CG2 VAL 34 2.85 6 0.08 0.23 * + + + + +
VdW H VAL 34 - CG2 VAL 34 2.55 8 0.11 0.36 +* + + + ++ +
VdW HA THR 39 - CD PRO 40 2.60 9 0.21 0.30 + *++++ + + +
VdW O PRO 40 - O GLU 41 2.60 12 0.20 0.40 + ++ + ++ + ++*++
VdW CD1 LEU 47 - O LEU 47 2.90 10 0.15 0.40 ++ ++ + ++* ++
VdW CG PHE 50 - C PHE 50 2.90 13 0.19 0.23 ++ ++++ +*++ + ++
VdW N ILE 63 - CG1 ILE 63 2.85 11 0.19 0.23 * + ++ ++++++ +
VdW HA VAL 64 - CD PRO 65 2.60 6 0.19 0.22 + ++ * ++
VdW CG2 ILE 102 - C ILE 102 2.90 16 0.29 0.33 +++++ +++ +++ ++ *++
VdW HA GLU 134 - HB2 ARG 137 2.00 6 0.08 0.27 + + + + *+
VdW O GLU 134 - C TRP 135 2.80 19 0.23 0.26 +++++*++++++ +++++++
VdW O GLU 134 - N LEU 138 2.75 19 0.23 0.26 +++++ ++++++++++*+++
VdW HA TRP 135 - HB2 HIS 139 2.00 20 0.32 0.36 ++++++++++++++++++*+
VdW HA TRP 135 - ND1 HIS 139 2.50 10 0.20 0.26 ++ + ++ +++ * +
VdW O TRP 135 - C HIS 139 2.80 6 0.17 0.29 + + ++* +
VdW C LEU 138 - H LYS 140 2.45 20 0.32 0.35 ++++++++*+++++++++++
VdW N HIS 139 - CD2 HIS 139 3.05 19 0.24 0.29 ++++ +++++++++*+++++
VdW CG PHE 143 - C PHE 143 2.90 14 0.17 0.24 ++*+ + +++++ +++ +
VdW O PHE 143 - HB2 PHE 147 2.30 6 0.09 0.23 ++ ++ + *
VdW CG2 ILE 144 - C ILE 144 2.90 11 0.19 0.33 + + +++* + ++ ++
VdW CG2 ILE 150 - C ILE 150 2.90 6 0.12 0.33 + + + * + +
VdW HA LYS 156 - CD PRO 157 2.60 7 0.10 0.30 ++ ++++ *
Angle PSI PRO 40 116.00 150.00 18 9.92 18.28 ++++++++++ + ++*++++
Angle PHI ILE 42 -126.00 -96.00 16 5.80 9.43 + ++++ +++ ++++*++ +
Angle PSI LEU 47 93.00 143.00 13 6.63 16.35 + + +++ ++ + +++*+
Angle PSI ASN 86 -52.00 -32.00 7 3.52 15.11 + + + *+++
Angle PSI VAL 100 147.00 167.00 11 4.74 7.22 + ++ ++ *+ ++++
Angle PSI MET 117 118.00 156.00 19 13.08 21.03 ++++++++++++++++++*
Angle PHI TRP 118 -127.00 -59.00 19 11.19 17.07 ++++++++++++++++++*
Angle PSI TRP 118 117.00 157.00 9 4.71 24.36 + ++ + + +++ *
Angle PSI GLU 134 -54.00 -34.00 20 17.47 18.98 +++++++++*++++++++++
Angle PHI TRP 135 -73.00 -53.00 20 16.84 19.19 +++++*++++++++++++++
Angle PHI LYS 136 -73.00 -53.00 20 19.13 22.24 +++++*++++++++++++++
Angle PSI LYS 136 -52.00 -32.00 20 11.87 17.27 ++++++++++++++++++*+
Angle PSI ARG 137 -51.00 -31.00 20 16.41 17.34 +++++++*++++++++++++
Angle PHI LEU 138 -91.00 -71.00 17 5.81 10.81 +++++ +++++ + +++*++
Angle PSI LEU 138 -45.00 -15.00 11 5.05 6.23 ++++ +++++ + *
Angle PSI HIS 139 -41.00 -1.00 15 7.54 12.60 ++++++++ +++*++ +
Angle PHI LYS 140 -70.00 -50.00 12 4.93 8.22 + +++++ +*++++
Angle PHI GLU 145 -71.00 -51.00 6 4.29 16.46 + + ++*+
Angle PSI PHE 147 -50.00 -30.00 6 3.59 10.59 *+++ + +
54 violated distance constraints.
19 violated angle constraints.
RMSDs for residues 18..164:
Average backbone RMSD to mean : 5.71 +/- 2.05 A (3.52..11.47 A)
Average heavy atom RMSD to mean : 6.11 +/- 2.11 A (3.84..12.29 A)