Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 2.27 64 0.0075 0.62 6 7.7 0.32 0 0.4879 3.33
2 2.34 70 0.0076 0.60 7 8.1 0.32 0 0.4943 3.30
3 2.35 74 0.0076 0.59 7 7.8 0.31 0 0.4891 3.32
4 2.62 83 0.0081 0.58 9 8.6 0.32 0 0.5523 3.62
5 2.65 70 0.0096 0.58 8 7.8 0.31 0 0.4968 3.49
6 2.65 85 0.0081 0.56 9 8.6 0.32 0 0.5904 3.23
7 2.66 75 0.0093 0.58 8 8.1 0.31 0 0.4680 3.18
8 2.67 66 0.0074 0.57 11 8.5 0.31 0 0.4995 3.40
9 2.67 61 0.0095 0.60 7 8.3 0.32 0 0.5023 3.18
10 2.71 88 0.0083 0.57 9 8.8 0.33 0 0.4816 3.28
11 2.71 74 0.0082 0.58 8 8.4 0.34 0 0.5374 3.49
12 2.75 91 0.0096 0.63 8 8.8 0.31 0 0.4499 3.23
13 2.77 74 0.0096 0.57 8 8.5 0.31 0 0.5142 3.12
14 2.79 83 0.0093 0.57 8 8.3 0.35 0 0.4896 3.15
15 2.79 74 0.0101 0.58 8 8.1 0.31 0 0.4742 3.23
16 2.81 76 0.0078 0.60 9 8.7 0.34 0 0.4995 3.19
17 2.81 72 0.0102 0.62 7 8.2 0.32 0 0.4883 3.17
18 2.83 79 0.0100 0.59 7 8.3 0.32 0 0.4759 3.13
19 2.93 80 0.0104 0.58 8 8.5 0.32 0 0.4909 3.37
20 2.95 76 0.0105 0.58 8 8.2 0.32 0 0.5442 3.42
Ave 2.69 76 0.0089 0.59 8 8.3 0.32 0 0.5013 3.29
+/- 0.18 8 0.0011 0.02 1 0.3 0.01 0 0.0318 0.13
Min 2.27 61 0.0074 0.56 6 7.7 0.31 0 0.4499 3.12
Max 2.95 91 0.0105 0.63 11 8.8 0.35 0 0.5904 3.62
Cut 0.02 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper QG2 VAL 6 - QG2 THR 8 3.57 17 0.05 0.09 ++*+++ +++++++++ ++ peak 8690
Upper HA THR 8 - QG2 VAL 29 4.27 7 0.02 0.04 + + + + + + * peak 8687
Upper HB THR 8 - QG2 VAL 29 5.05 20 0.08 0.09 +++++++++++*++++++++ peak 8689
Upper QG2 THR 8 - HA SER 9 4.40 16 0.04 0.10 ++++++++++ +++++ * peak 10280
Upper HA SER 9 - HB ILE 28 3.82 20 0.04 0.05 ++++++++++++++++*+++ peak 8704
Upper H PHE 10 - H ILE 28 4.08 6 0.02 0.03 ++ ++ + * peak 6364
Upper H PHE 10 - QG2 ILE 28 4.94 20 0.09 0.14 +++++++++++*++++++++ peak 8709
Upper H PHE 10 - HG13 ILE 28 4.77 17 0.03 0.04 +*++ + +++++++++++ + peak 8707
Upper HA PHE 10 - HG2 GLN 27 5.71 20 0.08 0.09 +++++++++*++++++++++ peak 9005
Upper HA PHE 10 - QG2 VAL 69 6.00 20 0.07 0.24 +++++++++++*++++++++ peak 9802
Upper QD PHE 10 - QG2 VAL 25 5.03 11 0.02 0.04 + * ++ + ++ ++ ++ peak 8723
Upper QD PHE 10 - HG2 GLN 27 5.97 8 0.02 0.05 + ++* ++++ peak 11088
Upper QD PHE 10 - QD1 LEU 36 4.11 12 0.02 0.04 +++++ + *+ ++++ peak 8241
Upper QE PHE 10 - QG2 ILE 61 4.04 14 0.02 0.04 ++ * +++ ++ ++++++ peak 8383
Upper H ILE 11 - H ILE 28 4.29 20 0.06 0.09 ++++++*+++++++++++++ peak 8734
Upper QG2 ILE 11 - HG12 ILE 28 4.25 10 0.02 0.05 + + + *++ +++ + peak 8053
Upper QD1 ILE 11 - H LEU 12 4.52 20 0.04 0.05 ++++*+++++++++++++++ peak 6101
Upper QD1 ILE 11 - H ASP 26 4.34 14 0.03 0.07 + ++++++ *++ ++ ++ peak 10322
Upper QD1 ILE 11 - H ILE 28 4.17 20 0.05 0.06 *+++++++++++++++++++ peak 8743
Upper QD1 LEU 12 - H ALA 24 3.18 15 0.02 0.03 +++ ++*+ + ++++ +++ peak 10845
Upper QD1 LEU 12 - H GLN 72 4.97 6 0.02 0.05 + + * + ++ peak 9858
Upper QD2 LEU 12 - H GLN 72 4.44 17 0.05 0.10 ++++++ ++++*+ +++++ peak 8785
Upper H LEU 15 - HG LEU 17 6.00 9 0.02 0.07 + + ++ +++ +* peak 10285
Upper HB2 ASN 20 - HB2 ARG 44 6.00 11 0.02 0.08 ++++ ++ +++ * + peak 10897
Upper HB2 ASN 20 - HG2 ARG 44 5.97 11 0.05 0.17 + +++ + ++++*+ peak 10895
HB2 ASN 20 - HG3 ARG 44
Upper QG1 VAL 21 - HB3 TRP 42 4.10 6 0.01 0.04 +++ + + * peak 8117
Upper QG2 ILE 23 - H TRP 48 4.62 10 0.02 0.04 ++ + + +++ +* + peak 11154
Upper QD1 ILE 23 - HA ALA 73 4.37 7 0.02 0.03 * + + + + ++ peak 10495
Upper QB ALA 24 - H PHE 40 3.96 10 0.02 0.03 +++ + + +*+ ++ peak 8279
Upper QG2 VAL 25 - H ASP 26 3.86 7 0.01 0.05 + + *+ + ++ peak 676
Upper HB3 ASP 26 - QG2 THR 33 3.58 8 0.02 0.03 + + + * +++ + peak 8218
Upper H GLN 27 - H ILE 28 4.48 11 0.02 0.02 + ++++ + ++*++ peak 6332
Upper H GLN 27 - HB THR 33 5.08 18 0.03 0.04 ++++++++++ ++*+ ++++ peak 9113
Upper HG3 GLN 27 - H ILE 28 4.58 20 0.04 0.05 +++++++++++*++++++++ peak 6355
Upper HA ILE 28 - HB THR 33 3.90 11 0.02 0.03 + * + +++++++ + peak 9111
Upper HG12 ILE 28 - QG2 THR 33 3.81 20 0.04 0.05 +++++*++++++++++++++ peak 9105
Upper QD1 ILE 28 - HA THR 33 4.45 20 0.11 0.12 +++++++++++++*++++++ peak 8180
Upper QG1 VAL 29 - HA LYS 31 4.42 20 0.05 0.05 +++++*++++++++++++++ peak 9095
Upper QG1 VAL 29 - HB2 SER 34 4.51 20 0.04 0.05 ++++++++++*+++++++++ peak 8190
Upper QD2 LEU 36 - HE1 TRP 60 5.24 20 0.04 0.10 +++++++++++*++++++++ peak 9599
Upper HA THR 37 - HB2 SER 38 4.90 6 0.01 0.03 + ++ * ++ peak 8273
Upper HB2 PHE 40 - QD1 LEU 51 6.00 9 0.02 0.04 *++ ++ ++ + + peak 10888
Upper H PHE 41 - HB2 ARG 44 4.97 6 0.01 0.03 + * ++++ peak 9232
Upper HZ3 TRP 42 - HA ASP 46 5.32 16 0.04 0.07 +++ +++++ *++++++ + peak 10409
Upper HZ3 TRP 42 - H ALA 47 5.47 16 0.05 0.09 +++ +++++ ++* + ++++ peak 9264
Upper H ARG 44 - HG2 ARG 44 3.49 12 0.23 0.54 + +++ *+++++++ peak 6535
H ARG 44 - HG3 ARG 44
Upper HB2 ARG 44 - QB ALA 45 3.51 7 0.04 0.14 + + + +++* peak 8293
Upper HG2 ARG 44 - H ALA 45 3.87 13 0.08 0.32 ++++++++ +++ * + peak 6545
Upper QB ALA 45 - HG3 GLN 50 4.83 14 0.03 0.08 + + +++++++++++* peak 9271
Upper HE1 TRP 48 - HB3 LEU 70 3.69 15 0.03 0.05 +++++++*++ + + +++ peak 9343
Upper HE1 TRP 48 - H ALA 73 4.83 6 0.01 0.03 + + + *+ + peak 9308
Upper HE1 TRP 48 - QB ALA 73 3.63 6 0.01 0.03 *+ + + ++ peak 9345
Upper HZ3 TRP 48 - HE3 LYS 52 4.39 7 0.02 0.05 + + + +* ++ peak 9444
Upper HH2 TRP 48 - HB3 LYS 52 6.00 9 0.04 0.12 + + + ++ *+ ++ peak 10824
Upper HH2 TRP 48 - HD2 LYS 52 4.32 6 0.01 0.05 + + + * ++ peak 9429
Upper H GLN 49 - HG3 GLN 49 4.45 7 0.01 0.05 + + ++ * ++ peak 9361
Upper HE21 GLN 49 - HE3 LYS 52 4.42 6 0.01 0.04 + + * + ++ peak 10435
Upper HE22 GLN 49 - HB3 LYS 52 5.59 6 0.01 0.06 + + * + ++ peak 9381
Upper HE22 GLN 49 - H ASP 53 5.62 7 0.01 0.04 + + + + * ++ peak 9448
Upper H GLN 50 - HG3 GLN 50 3.72 9 0.02 0.07 ++ +++ ++ +* peak 1430
Upper HA GLN 50 - HE21 GLN 50 5.65 16 0.08 0.15 + +++ + ++++++++++* peak 6600
Upper QD2 LEU 51 - QG2 VAL 69 3.10 7 0.01 0.03 + + + + +* + peak 11169
Upper HG2 LYS 52 - HE2 LYS 52 4.14 6 0.01 0.03 + + + + + * peak 1576
Upper HD2 LYS 52 - QD1 LEU 70 4.51 8 0.02 0.07 ++ + + + +* + peak 10434
Upper HD3 LYS 52 - H ASP 53 5.69 6 0.03 0.11 + + + + *+ peak 6667
Upper HA ASP 53 - H ALA 57 4.24 9 0.02 0.07 + + ++ +* ++ + peak 6729
Upper HB3 LYS 58 - HD2 LYS 58 2.66 17 0.03 0.05 + +++++++++++ ++ +*+ peak 1807
Upper HD3 LYS 58 - HD1 TRP 60 6.00 14 0.02 0.05 +++ + +++++ *+ +++ peak 10779
Upper H ILE 61 - HG12 ILE 61 3.05 20 0.59 0.63 +++++++++++*++++++++ peak 6803
Upper QG2 ILE 61 - HA ARG 66 3.90 6 0.01 0.03 +++ + +* peak 8422
Upper HG13 ILE 61 - H ALA 62 3.78 16 0.03 0.08 ++++++++ ++*++ +++ peak 6812
Upper QB ALA 62 - QB ALA 64 3.47 13 0.03 0.06 ++++ +++ * +++ ++ peak 8409
Upper HA GLU 63 - QD1 ILE 67 4.17 15 0.03 0.09 +++++ ++ +* ++++++ peak 9750
Upper HG2 GLU 63 - QG2 ILE 67 4.23 20 0.06 0.11 +++++++++*++++++++++ peak 9747
Upper H ALA 64 - QD1 ILE 67 5.60 20 0.05 0.07 +++++*++++++++++++++ peak 8441
Upper HA ALA 64 - QG2 ILE 67 3.65 19 0.07 0.14 +++++++++++ +*++++++ peak 8435
Upper QB ALA 64 - H ARG 66 4.70 16 0.04 0.12 +++++ +++ +* ++++++ peak 9725
Upper QB ALA 64 - HD22 ASN 68 5.59 16 0.02 0.03 ++++++ ++*+ + +++ ++ peak 9775
Upper H ARG 66 - QD1 ILE 67 4.65 19 0.06 0.08 +++++++++++ *+++++++ peak 9734
Upper HA ILE 67 - H LEU 70 3.65 9 0.02 0.05 ++++ + +* ++ peak 6938
Upper QG2 ILE 67 - H ASN 68 3.37 12 0.02 0.04 ++++ ++ * ++ + ++ peak 6896
Upper QD1 ILE 67 - H ASN 68 4.46 20 0.08 0.09 ++++++++++++++*+++++ peak 2139
Upper QD1 ILE 67 - HB3 LEU 70 3.74 11 0.02 0.03 ++++ + ++* +++ peak 8432
Upper H ASN 68 - HD21 ASN 68 5.33 20 0.07 0.11 +++++++++++*++++++++ peak 6908
Upper H LEU 70 - QD1 LEU 70 3.70 6 0.01 0.04 ++ + * ++ peak 9487
Upper H ASN 71 - HB2 ASN 71 3.45 6 0.02 0.05 ++ + * + + peak 6967
Upper HA ASN 71 - QG2 THR 74 4.12 19 0.05 0.07 +*+++++ ++++++++++++ peak 9854
Upper H GLN 72 - QB ALA 73 4.24 18 0.04 0.07 ++*++++ +++ ++++++++ peak 9857
Upper HB3 GLN 72 - H GLU 101 5.30 18 0.03 0.04 ++++++++ ++*+++++++ peak 10491
Upper QB ALA 73 - HB THR 74 4.56 18 0.04 0.06 +++++ + ++++++++++*+ peak 10494
Upper H THR 74 - HG2 GLU 75 4.38 11 0.02 0.03 + + + + ++*++++ peak 1645
Upper QG2 THR 74 - HG3 GLU 75 4.49 19 0.04 0.05 +++++++ +++*++++++++ peak 9948
Upper HB3 ASN 87 - H LYS 88 4.31 7 0.02 0.06 ++ + +* + + peak 3390
Upper HG3 GLU 101 - QG2 VAL 102 4.15 20 0.04 0.05 +++++*++++++++++++++ peak 10206
Upper HD21 ASN 108 - QD2 LEU 109 4.51 7 0.01 0.05 +++ + + * + peak 10739
VdW N ILE 11 - CG1 ILE 11 2.85 10 0.20 0.21 +*+++ + + ++ +
VdW CG2 ILE 28 - CD1 ILE 28 3.00 20 0.32 0.32 +++++++++++++++++*++
VdW HA TRP 42 - C PRO 43 2.50 20 0.23 0.28 +++*++++++++++++++++
VdW CG TRP 42 - C TRP 42 2.90 20 0.25 0.25 ++++++++++*+++++++++
VdW CD1 TRP 42 - C TRP 42 3.10 19 0.22 0.26 ++++++++++++*++++++
VdW O PRO 43 - C ARG 44 2.80 20 0.28 0.35 +++++++++++++*++++++
VdW CA ILE 61 - CD1 ILE 61 3.00 20 0.23 0.25 +++++++++++*++++++++
VdW CG2 ILE 61 - C ILE 61 2.90 20 0.25 0.25 ++++++++++++++++*+++
95 violated distance restraints.
8 violated van der Waals restraints.
0 violated angle restraints.
RMSDs for residues 8..80:
Average backbone RMSD to mean : 0.17 +/- 0.04 A (0.12..0.25 A; 20 structures)
Average heavy atom RMSD to mean : 0.58 +/- 0.05 A (0.52..0.70 A; 20 structures)