Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 9.85 38 0.0262 0.44 10 16.4 0.31 10 2.2965 14.32
2 10.42 34 0.0270 0.47 10 18.3 0.31 10 2.3706 15.12
3 10.54 39 0.0275 0.40 8 17.8 0.35 12 2.3003 14.48
4 10.60 42 0.0287 0.49 8 16.9 0.35 11 2.2385 12.06
5 10.98 36 0.0274 0.48 9 19.4 0.41 11 2.3056 12.70
6 11.11 44 0.0291 0.64 8 18.8 0.30 11 2.2609 13.78
7 11.16 44 0.0291 0.47 11 18.5 0.31 13 2.3070 12.92
8 11.38 51 0.0292 0.47 10 18.3 0.40 11 2.3022 12.64
9 11.60 47 0.0296 0.52 11 19.5 0.31 12 2.3389 15.16
10 11.65 45 0.0297 0.58 10 19.8 0.33 9 2.1723 14.23
11 11.80 48 0.0308 0.47 9 19.9 0.31 12 2.1384 10.04
12 11.88 48 0.0288 0.47 11 20.6 0.35 12 2.3384 13.49
13 11.88 45 0.0296 0.48 13 19.8 0.32 11 2.4353 12.49
14 11.90 52 0.0307 0.48 10 18.5 0.33 10 2.1749 13.45
15 11.92 53 0.0311 0.47 7 19.0 0.34 10 2.2733 13.51
16 12.07 43 0.0273 0.42 17 21.6 0.41 8 2.1347 15.32
17 12.11 49 0.0307 0.46 12 19.8 0.33 13 2.2008 12.94
18 12.15 49 0.0301 0.49 10 20.0 0.34 13 2.4639 12.51
19 12.16 47 0.0298 0.49 11 20.4 0.36 14 2.3633 11.53
20 12.23 57 0.0304 0.48 12 20.2 0.32 12 2.2842 14.72
Ave 11.47 46 0.0291 0.48 10 19.2 0.34 11 2.2850 13.37
+/- 0.67 6 0.0014 0.05 2 1.2 0.03 1 0.0878 1.31
Min 9.85 34 0.0262 0.40 7 16.4 0.30 8 2.1347 10.04
Max 12.23 57 0.0311 0.64 17 21.6 0.41 14 2.4639 15.32
Cut 0.20 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper H LEU 17 - H HIS 18 4.25 20 0.25 0.36 +++++++++++*++++++++ peak 163
Upper HA LEU 17 - H SER 81 4.41 12 0.21 0.27 + +++ ++++ ++*+ peak 491
Upper QD1 LEU 17 - HA3 GLY 78 3.97 7 0.13 0.45 * + ++ ++ + peak 3088
Upper QD2 LEU 17 - HA3 GLY 78 3.97 7 0.11 0.37 + + *+ ++ + peak 527
Upper HD2 HIS 18 - H VAL 79 4.10 20 0.35 0.58 +++++++++*++++++++++ peak 495
Upper QB ASN 19 - HB VAL 75 3.94 17 0.26 0.39 +++*++++++ ++++ +++ peak 125
Upper QD PHE 21 - QQG VAL 71 3.47 19 0.23 0.32 +++++++++*++++++ +++ peak 3330
Upper H VAL 31 - HB ILE 32 4.05 20 0.29 0.35 ++++++++++++*+++++++ peak 1443
Upper H ILE 32 - QG2 ILE 32 3.38 13 0.21 0.28 +++ +++++ *+ +++ peak 377
Upper H VAL 34 - QQD LEU 36 4.68 7 0.16 0.34 + ++ + +* + peak 1947
Upper HA LEU 36 - HG LEU 36 3.46 6 0.07 0.26 + ++ + *+ peak 3072
Upper HG LEU 36 - H ARG 38 4.03 12 0.18 0.30 +++ ++++* ++ ++ peak 597
Upper HA ASP 37 - H ARG 38 3.28 11 0.19 0.28 + ++ ++ ++ ++*+ peak 600
Upper HA ARG 38 - HB THR 39 4.17 20 0.31 0.37 ++++++*+++++++++++++ peak 238
Upper H THR 39 - HA PRO 40 4.26 20 0.33 0.38 ++++++++++++*+++++++ peak 569
Upper HA ILE 42 - QQG VAL 75 3.99 8 0.19 0.32 ++ + + ++ + * peak 2793
Upper QD1 ILE 42 - H VAL 43 4.55 20 0.27 0.36 +++++++++++++++*++++ peak 3258
Upper H VAL 43 - QB ALA 45 4.72 19 0.24 0.36 +++++++++ *+++++++++ peak 1407
Upper HB VAL 43 - H VAL 75 4.85 19 0.28 0.37 +++++++++ ++++++*+++ peak 2552
Upper QB ALA 45 - HB THR 46 4.48 20 0.24 0.35 ++++++++++++++*+++++ peak 3542
Upper QB ALA 45 - H MET 111 4.72 11 0.21 0.35 + + ++ +*+ + ++ + peak 3761
Upper H THR 46 - QG2 THR 46 3.55 8 0.20 0.26 + ++ ++ +*+ peak 500
Upper H PHE 50 - HB VAL 71 4.03 19 0.27 0.33 ++ ++*++++++++++++++ peak 1731
Upper HB2 PHE 50 - HB ILE 63 5.47 15 0.24 0.38 ++++ + + *++++++++ peak 1566
Upper H TYR 60 - QB MET 126 4.65 7 0.19 0.40 + + * ++ + + peak 789
Upper QG2 ILE 63 - H TYR 116 4.48 16 0.27 0.43 ++ ++*+++ ++ ++++++ peak 2193
Upper H MET 77 - QE MET 77 4.16 20 0.33 0.46 ++++++*+++++++++++++ peak 4340
Upper HA VAL 79 - H LEU 84 4.70 8 0.20 0.31 + ++ +++* + peak 3896
Upper HA GLU 83 - QD2 ASN 86 3.93 8 0.19 0.37 * + + + ++++ peak 2212
Upper H LEU 84 - HG LEU 84 4.09 19 0.36 0.49 ++++++++ ++++++++*++ peak 202
Upper H ASN 86 - HG LEU 87 3.90 11 0.22 0.35 ++ ++++++ +* + peak 310
Upper HA LEU 87 - QD1 LEU 87 3.39 20 0.44 0.52 ++++++++*+++++++++++ peak 2178
Upper H ARG 97 - QD1 ILE 119 4.96 10 0.20 0.28 ++ ++ + + *+++ peak 1067
Upper HA ARG 97 - H MET 117 3.97 16 0.22 0.29 + ++ ++++++ + ++*+++ peak 2019
Upper QG1 VAL 98 - HG2 MET 117 4.31 9 0.15 0.34 +++ + + + *++ peak 915
Upper H THR 99 - QE MET 117 5.09 10 0.18 0.27 +++ + + *+ +++ peak 4351
Upper H GLY 101 - HA ALA 112 4.74 16 0.25 0.36 + + *+++++ + +++++++ peak 974
Upper QD1 ILE 102 - HG2 MET 111 3.98 13 0.23 0.31 + +++++ +++ ++ *+ peak 3256
Upper QQG VAL 103 - H SER 108 4.04 19 0.31 0.47 ++++++++++ +++*+++++ peak 609
Upper H ARG 104 - H GLU 109 4.13 20 0.27 0.32 +++*++++++++++++++++ peak 251
Upper H GLU 109 - HB3 GLU 109 3.29 19 0.28 0.31 ++*+++++++++++++++ + peak 245
Upper HB2 GLU 109 - H LYS 110 3.64 11 0.19 0.27 * +++++ +++++ peak 2031
Upper HG3 MET 111 - H ALA 112 4.43 20 0.32 0.41 +++++++++++++++*++++ peak 848
Upper HA TYR 116 - QE TYR 116 4.39 8 0.21 0.48 + + +*+++ + peak 661
Upper HZ3 TRP 118 - H ILE 119 4.79 20 0.28 0.36 +++++*++++++++++++++ peak 772
Upper H ASN 120 - QB ALA 122 4.85 20 0.40 0.48 +++++++++++++*++++++ peak 3294
Upper QB LYS 121 - H ASP 123 4.83 9 0.20 0.34 + ++*++ +++ peak 747
Upper QB PHE 127 - H GLY 128 3.50 6 0.14 0.37 + + * ++ + peak 952
Upper HA LYS 140 - HB ILE 144 5.41 8 0.17 0.35 + +++++ * + peak 2404
Upper HA LYS 141 - QD1 ILE 144 4.10 12 0.18 0.28 + ++ ++ +++++ * + peak 2086
Upper QG2 ILE 144 - QG GLU 145 4.49 6 0.13 0.46 + * + + + + peak 4236
Upper QD1 ILE 144 - H GLU 145 4.32 16 0.22 0.29 ++++++ ++++* +++ ++ peak 2091
Upper HA PHE 147 - QE PHE 147 3.84 20 0.25 0.26 +*++++++++++++++++++ peak 214
Upper H ASP 172 - H GLN 173 4.07 6 0.07 0.24 + + + + + * peak 42
VdW HA ASP 28 - CD PRO 29 2.60 20 0.26 0.30 +++++++++++*++++++++
VdW CG2 ILE 32 - C ILE 32 2.90 20 0.26 0.29 +++++++++++++++*++++
VdW N LEU 36 - HG LEU 36 2.45 14 0.16 0.26 +++ +++++ ++*++ +
VdW O LEU 36 - CB ASP 37 2.90 17 0.28 0.41 ++++*+++++ ++ +++++
VdW HA THR 39 - CD PRO 40 2.60 20 0.28 0.30 ++++++++++++*+++++++
VdW CG1 VAL 79 - O VAL 79 2.90 10 0.19 0.24 +++ +*++ ++ +
VdW O ARG 104 - O ASN 107 2.60 20 0.32 0.36 ++++++++++++++++++*+
VdW O ASN 120 - C LYS 121 2.80 20 0.29 0.33 +++++++++++++*++++++
VdW HA ASP 123 - CD PRO 124 2.60 11 0.21 0.30 + *+ +++++ + + +
Angle PSI HIS 18 139.00 159.00 9 5.00 6.18 + +++ + * +++
Angle PHI VAL 34 -81.00 -61.00 8 4.64 9.31 + +* +++ + +
Angle PSI VAL 34 -51.00 -31.00 12 5.38 6.91 ++++++*++ + + +
Angle PSI MET 35 -35.00 -15.00 20 11.07 13.51 ++++++++++++++*+++++
Angle PHI LEU 36 -115.00 -83.00 20 9.51 12.34 ++++++++++++*+++++++
Angle PSI LEU 36 -34.00 10.00 18 12.05 15.32 ++++++++++ +++ *++++
Angle PSI SER 44 123.00 143.00 20 6.66 7.34 +++++++*++++++++++++
Angle PSI LEU 47 94.00 144.00 16 5.61 7.04 + + ++++++ ++++*+++
Angle PSI CYS 62 148.00 170.00 16 6.64 8.25 +++++++*+ ++ + ++++
Angle PHI ILE 63 -151.00 -129.00 17 6.80 8.26 *++++++++ +++ + ++++
Angle PSI MET 117 116.00 154.00 16 5.61 7.99 +++ ++ +*++++++ +++
Angle PHI TRP 118 -129.00 -69.00 18 7.13 9.00 +++++++++++++++ *++
Angle PSI ASN 120 -9.00 11.00 16 5.45 6.29 ++++++ ++++*+ + +++
54 violated distance constraints.
13 violated angle constraints.
RMSDs for residues 18..123:
Average backbone RMSD to mean : 0.40 +/- 0.11 A (0.21..0.71 A; 20 structures)
Average heavy atom RMSD to mean : 0.95 +/- 0.14 A (0.82..1.45 A; 20 structures)