Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 7.26 118 0.0210 0.91 4 7.1 0.32 0 0.6316 4.56
2 7.28 121 0.0210 0.90 5 6.9 0.36 0 0.4066 3.41
3 7.31 116 0.0209 0.91 6 7.6 0.31 0 0.3526 2.55
4 7.33 143 0.0208 0.87 5 7.7 0.36 0 0.4980 4.00
5 7.34 141 0.0201 0.92 6 8.5 0.36 1 0.7124 5.74
6 7.35 134 0.0211 0.90 5 6.7 0.36 0 0.4552 3.46
7 7.38 118 0.0207 0.90 7 7.7 0.38 0 0.4676 3.14
8 7.39 130 0.0210 0.92 6 7.2 0.37 0 0.4624 3.00
9 7.42 132 0.0203 0.99 6 8.4 0.36 0 0.5981 4.05
10 7.44 122 0.0208 0.83 5 7.5 0.37 0 0.5188 4.30
11 7.44 129 0.0209 0.93 5 7.9 0.37 1 0.6770 5.28
12 7.47 125 0.0205 0.89 7 8.3 0.36 0 0.5988 4.29
13 7.49 130 0.0211 0.91 4 7.9 0.31 0 0.3855 3.16
14 7.49 123 0.0208 0.89 7 7.4 0.36 1 0.9802 6.41
15 7.51 119 0.0208 0.93 4 7.5 0.38 0 0.6288 3.53
16 7.54 126 0.0207 0.88 6 8.0 0.36 1 0.7236 5.96
17 7.55 130 0.0208 0.92 6 8.1 0.35 0 0.5492 4.51
18 7.59 123 0.0208 0.92 7 7.6 0.35 2 1.0432 6.97
19 7.62 136 0.0205 0.92 6 8.6 0.38 1 0.9235 7.61
20 7.63 130 0.0214 0.93 4 7.3 0.36 0 0.2000 1.38
Ave 7.44 127 0.0208 0.91 6 7.7 0.36 0 0.5907 4.37
+/- 0.11 7 0.0003 0.03 1 0.5 0.02 1 0.2075 1.52
Min 7.26 116 0.0201 0.83 4 6.7 0.31 0 0.2000 1.38
Max 7.63 143 0.0214 0.99 7 8.6 0.38 2 1.0432 7.61
Cut 0.02 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper H ASP 24 - HB2 ASP 24 3.50 9 0.03 0.09 + + + + * + +++ peak 517
Upper HA ARG 26 - HB2 LEU 29 3.83 6 0.05 0.25 + + ++ +* peak 5395
HG2 ARG 70 - HA ARG 71
Upper H ARG 27 - QB ALA 30 3.33 10 0.03 0.07 +++++ + + + * + peak 6128
QB ALA 28 - QG2 THR 37
Upper QB ALA 28 - HB3 LEU 29 4.12 8 0.02 0.11 +++ *+ + + + peak 5321
QB ALA 28 - HG LEU 64
Upper QB ALA 28 - H LYS 32 3.68 8 0.02 0.08 + + * + ++ + + peak 565
H LYS 32 - HG3 LYS 32
Upper QB ALA 28 - H ILE 33 4.07 7 0.02 0.11 + + + + *++ peak 100
HG3 LYS 32 - H ILE 33
Upper H LEU 29 - HB2 LEU 29 2.89 15 0.41 0.62 ++ +++*++ +++++++ peak 546
Upper H LEU 29 - HB3 LEU 29 3.29 8 0.08 0.30 +*+ + ++ ++ peak 547
Upper H LEU 29 - H ALA 30 2.53 12 0.06 0.16 + ++ +++++ + *++ peak 908
Upper H LEU 29 - HG3 MET 31 4.93 14 0.12 0.32 *+++++++++++++ peak 3775
HG3 MET 31 - H LYS 32
Upper HA LEU 29 - HG LEU 29 3.35 20 0.29 0.34 *+++++++++++++++++++ peak 1480
Upper HA LEU 29 - QD1 LEU 29 3.43 19 0.50 0.69 +++++ ++++++++++*+++ peak 1481
Upper HA LEU 29 - QD1 LEU 29 3.55 10 0.09 0.36 ++ + ++ +*++ + peak 1505
QD1 LEU 29 - HA ALA 30
Upper HA LEU 29 - QD2 LEU 29 3.19 15 0.34 0.91 *+++ ++++++ ++ +++ peak 1482
Upper HB2 LEU 29 - HG LEU 29 2.40 20 0.27 0.35 +++++++++*++++++++++ peak 1499
Upper HB2 LEU 29 - QB ALA 30 4.36 7 0.15 0.61 +++ * ++ + peak 4843
Upper HB3 LEU 29 - HG LEU 29 2.62 20 0.34 0.40 ++++++++++++++*+++++ peak 1500
Upper HB3 LEU 29 - H ALA 30 3.69 20 0.28 0.34 ++*+++++++++++++++++ peak 82
Upper QD2 LEU 29 - HA ALA 30 5.33 14 0.08 0.23 ++ ++++ + ++*++++ peak 4188
HA ALA 30 - QD2 LEU 64
Upper HA MET 31 - HG3 MET 31 3.60 12 0.06 0.15 ++++*++ +++ ++ peak 1529
Upper HG2 MET 31 - QD1 ILE 33 3.76 7 0.02 0.05 + +*+ + + + peak 15875
QD1 ILE 33 - HG2 GLN 61
HA ALA 77 - HB3 ASN 80
Upper QE MET 31 - H LYS 32 5.12 16 0.09 0.16 + ++++++++++ +*+ ++ peak 5087
Upper H LYS 32 - HD2 LYS 32 4.87 7 0.04 0.23 * +++ + + + peak 5542
H LYS 32 - HD3 LYS 32
Upper HG2 LYS 32 - H ILE 33 4.28 17 0.20 0.45 + ++ +++++++++++++* peak 99
Upper H ILE 33 - HG13 ILE 33 3.73 7 0.04 0.12 + +++ + * + peak 575
Upper HA ILE 33 - QD PHE 35 4.19 20 0.12 0.19 +++++++++++*++++++++ peak 4599
QD PHE 35 - HD2 PRO 36
QD PHE 35 - HA LEU 51
Upper QD1 ILE 33 - H PHE 35 3.83 14 0.14 0.27 ++ ++++*+ + +++++ peak 5348
HA ARG 26 - HB2 LEU 29
Upper QD1 ILE 33 - H LEU 62 3.89 19 0.07 0.18 +++*++++ +++++++++++ peak 6044
QD2 LEU 57 - H LEU 62
HA VAL 76 - HB2 GLN 79
HA VAL 76 - HB3 GLN 79
Upper HA PRO 34 - QE PHE 35 5.45 20 0.10 0.18 ++++++*+++++++++++++ peak 5935
Upper HA PHE 35 - QD1 LEU 51 4.50 14 0.05 0.13 +*+++++ + ++ +++ + peak 5104
HD2 PRO 36 - HB2 LYS 39
Upper HB3 PHE 35 - HD2 PRO 36 3.92 20 0.19 0.25 ++++++*+++++++++++++ peak 5577
Upper QD PHE 35 - HZ PHE 35 3.66 20 0.14 0.14 +++*++++++++++++++++ peak 4534
Upper QD PHE 35 - HG LEU 51 3.90 13 0.03 0.09 + ++++ +++++++ * peak 5695
QD2 LEU 52 - HA ARG 66
Upper QD PHE 35 - HB3 TYR 55 3.63 18 0.07 0.15 ++++*+++++ +++ +++++ peak 5252
HB2 LEU 64 - QD1 ILE 68
Upper QE PHE 35 - HA LEU 52 4.09 6 0.02 0.10 ++ * ++ + peak 6057
HZ PHE 35 - HA LEU 52
HA ASP 24 - H ALA 28
Upper QE PHE 35 - QD2 LEU 52 3.59 17 0.06 0.11 *+ +++ ++++++++++ ++ peak 4947
H ASN 49 - H LEU 51
Upper HA PRO 36 - H ASP 38 3.61 10 0.03 0.08 ++++ + + * ++ + peak 4519
QD1 LEU 51 - HD2 ARG 54
QD1 LEU 51 - HD3 ARG 54
Upper HB3 PRO 36 - H ASP 38 3.89 16 0.05 0.11 ++++++++++ + *+ +++ peak 5125
HA ILE 40 - HG LEU 43
Upper HG2 PRO 36 - H THR 37 4.20 17 0.12 0.23 +*++++ ++ +++ ++++++ peak 115
HG3 PRO 36 - H THR 37
Upper HG2 PRO 36 - QG2 THR 37 4.74 20 0.34 0.64 ++++++++++++++++++*+ peak 4274
HG3 PRO 36 - QG2 THR 37
Upper HG2 PRO 36 - HE2 LYS 39 3.91 10 0.04 0.12 ++ +++ * ++ + + peak 5869
HG2 PRO 36 - HE3 LYS 39
HG3 PRO 36 - HE2 LYS 39
HG3 PRO 36 - HE3 LYS 39
HA ALA 77 - HB2 ASN 80
HA ALA 78 - HB2 ASN 80
Upper HD3 PRO 36 - HG3 LYS 39 4.65 8 0.03 0.14 +++ * ++ + + peak 16039
HA ASN 74 - H ALA 77
Upper H THR 37 - H LYS 39 3.78 9 0.04 0.22 + *+ ++ + + + + peak 6154
HA ALA 77 - H ASN 80
HA ALA 78 - H ASN 80
Upper HA THR 37 - QG2 ILE 40 3.75 6 0.02 0.11 ++ + * + + peak 4686
HA THR 37 - QG2 VAL 41
HA THR 37 - HG12 ILE 68
QB ALA 78 - QE TYR 81
Upper HA THR 37 - QG2 ILE 40 3.48 8 0.03 0.13 ++ + + + ++ * peak 4723
HA THR 37 - QG2 VAL 41
HA THR 37 - HG12 ILE 68
HA LEU 62 - QG1 VAL 65
Upper HB THR 37 - H ASP 38 3.68 20 0.31 0.39 ++++++++++++++++*+++ peak 121
Upper H LYS 39 - HG3 LYS 39 3.99 11 0.09 0.45 +++ + * +++ ++ + peak 596
Upper H LYS 39 - HD2 LYS 39 3.92 18 0.22 0.57 +++++++++++++ +++ +* peak 598
H LYS 39 - HD3 LYS 39
Upper HA LYS 39 - HG3 LYS 39 3.40 15 0.06 0.17 ++++++ ++ *++ +++ + peak 1837
Upper HA LYS 39 - HD2 LYS 39 3.79 15 0.29 0.41 +*++++ ++ ++ +++ ++ peak 1839
HA LYS 39 - HD3 LYS 39
Upper HG2 LYS 39 - QG2 ILE 40 4.72 9 0.09 0.54 + + +* ++ + + + peak 5119
HG2 LYS 39 - HG LEU 51
Upper HG3 LYS 39 - QG2 ILE 40 3.65 9 0.06 0.19 + + *+ ++ ++ + peak 4302
QG2 ILE 40 - HB3 ARG 69
Upper HD2 LYS 39 - HG LEU 43 4.02 8 0.03 0.11 + + +* + + ++ peak 5859
HD3 LYS 39 - HG LEU 43
HA ALA 77 - HB2 ASN 80
Upper HA ILE 40 - QE PHE 48 3.54 9 0.04 0.12 * + ++ + + + ++ peak 5303
QB ALA 28 - H ILE 33
Upper HB ILE 40 - QG1 VAL 41 4.97 20 0.17 0.21 ++++++++++++*+++++++ peak 4350
Upper QG2 ILE 40 - H LEU 43 3.68 12 0.03 0.08 +++ ++ *+ + +++ + peak 625
QG2 VAL 41 - H LEU 43
H LEU 43 - QD2 LEU 43
Upper QG2 ILE 40 - H ILE 68 3.45 8 0.02 0.07 + +++ +* + + peak 755
H ILE 68 - HG12 ILE 68
Upper HA VAL 41 - HD2 ARG 69 4.35 7 0.02 0.07 + + ++++ * peak 4681
HA VAL 41 - HD3 ARG 69
HB3 GLN 79 - QE TYR 81
Upper QG1 VAL 41 - H ASN 42 3.81 7 0.03 0.10 + + + + *+ + peak 147
Upper QG1 VAL 41 - HB2 ASN 42 4.95 19 0.06 0.09 ++++++*++++++ ++++++ peak 4351
QG1 VAL 41 - HB3 ASN 42
Upper QG1 VAL 41 - HD22 ASN 42 4.30 10 0.03 0.11 ++++ * + + + + + peak 4367
Upper QG2 VAL 41 - HD22 ASN 42 4.77 17 0.06 0.15 ++++ *+++++++++++ + peak 4366
Upper HA ASN 42 - H LEU 43 3.22 20 0.19 0.35 +++++++++++++++++*++ peak 3824
Upper H LEU 43 - QD1 LEU 43 3.71 20 0.10 0.23 ++++++*+++++++++++++ peak 624
Upper H LEU 43 - HD2 PRO 44 4.35 20 0.28 0.37 +++++++*++++++++++++ peak 5640
H LEU 43 - HA PHE 48
Upper HB2 LEU 43 - HB3 ASP 47 3.81 6 0.01 0.05 + *++ ++ peak 5430
HA LYS 73 - QG1 VAL 76
HA LYS 73 - QG2 VAL 76
QG2 VAL 76 - HA ALA 78
Upper QD1 LEU 43 - HD3 PRO 44 4.98 15 0.04 0.19 +++ ++ +++++ ++ *++ peak 4405
Upper QD2 LEU 43 - HB3 PRO 44 4.45 13 0.07 0.22 ++ +++++ + *++ ++ peak 5216
HB3 MET 31 - QD1 LEU 64
Upper HA PRO 44 - QG1 VAL 45 4.94 20 0.07 0.16 ++++++*+++++++++++++ peak 5654
Upper HA PRO 44 - QG2 VAL 45 4.76 20 0.32 0.37 +++++++++++++*++++++ peak 5650
Upper HG2 PRO 44 - H ASN 49 4.39 18 0.07 0.17 *+ + +++++++++++++++ peak 4480
HB VAL 45 - H ASN 49
H ASN 49 - HB2 GLU 50
Upper H VAL 45 - HA ASP 46 4.54 20 0.12 0.15 +++++++++++++++++++* peak 5814
H ARG 66 - HA ASP 67
Upper QG1 VAL 45 - H ASP 47 3.85 13 0.06 0.25 + ++* ++++ ++++ + peak 5073
QE MET 31 - QD1 LEU 64
Upper QG2 VAL 45 - H ASP 46 4.07 20 0.19 0.21 +++++++++++++*++++++ peak 165
Upper HA ASP 46 - H ASN 49 3.83 11 0.03 0.09 +++ +++ * ++ + + peak 5656
QG1 VAL 45 - QD PHE 48
Upper HA ASP 46 - HB3 ASN 49 3.91 7 0.03 0.19 + + * + + ++ peak 5964
QG1 VAL 65 - QG2 ILE 68
Upper H ASP 47 - HB3 PHE 48 4.50 10 0.04 0.11 ++ + + + ++ ++ * peak 4429
H ASP 47 - HB2 ASN 49
Upper HA PHE 48 - QE PHE 48 4.70 12 0.05 0.12 ++ +++++ ++ + +* peak 5289
Upper HA PHE 48 - QD1 LEU 51 4.19 10 0.04 0.13 ++ + +++ ++* + peak 16009
QD1 LEU 51 - HA ARG 54
HA ARG 71 - HB3 ASN 74
Upper QD PHE 48 - HZ PHE 48 3.11 20 0.69 0.69 ++++++++++++*+++++++ peak 4546
Upper QE PHE 48 - H ASN 49 5.01 14 0.04 0.09 ++ ++++* ++ +++++ peak 5667
Upper H ASN 49 - HB3 ASN 49 3.49 15 0.04 0.10 ++++++ ++ + +++ *+ + peak 648
Upper H ASN 49 - QD1 LEU 52 3.77 12 0.04 0.13 + +*+ ++ ++ +++ + peak 4723
HA LEU 62 - QG1 VAL 65
Upper HB2 GLU 50 - QB ALA 53 3.19 14 0.06 0.13 + ++ + ++ +++ +*++ + peak 4284
HB3 GLU 50 - QB ALA 53
QG2 THR 37 - QG2 ILE 68
QG2 THR 37 - QD1 ILE 68
Upper HG3 GLU 50 - H LEU 51 4.64 7 0.03 0.27 * + + + ++ + peak 192
Upper H LEU 51 - HG LEU 51 4.14 19 0.17 0.37 +++ ++*+++++++++++++ peak 661
Upper HB2 LEU 51 - H LEU 52 3.31 16 0.06 0.12 ++ +++ *+++++++++ + peak 666
H LEU 52 - HB2 LEU 52
Upper HB2 LEU 51 - QE TYR 55 4.08 16 0.06 0.11 ++ + ++++++++++ ++* peak 4645
HG2 ARG 54 - QE TYR 55
Upper HB3 LEU 51 - H ALA 53 4.46 9 0.03 0.08 *++ + ++ + ++ peak 4964
H ALA 53 - HG3 ARG 54
Upper HG LEU 51 - QD TYR 55 3.88 12 0.04 0.12 ++ + + +++ ++ +* + peak 4837
QB ALA 28 - HB ILE 68
Upper QD2 LEU 51 - QE TYR 55 3.80 15 0.06 0.11 +++++* ++ + + +++ ++ peak 5758
HA GLN 61 - H VAL 65
Upper H LEU 52 - HA ALA 53 5.20 14 0.05 0.15 *+++++ ++ ++ + + ++ peak 5702
Upper QD2 LEU 52 - H ALA 53 4.66 17 0.06 0.12 ++++*+ ++ ++++++++ + peak 3867
Upper H ALA 53 - HG2 ARG 54 5.65 7 0.02 0.09 + + + * ++ + peak 5949
Upper HA ARG 54 - QD TYR 55 4.54 8 0.02 0.08 + ++ * + + + + peak 4662
Upper HG2 ARG 54 - QE TYR 55 5.27 10 0.03 0.08 +*++ + + ++ ++ peak 4969
Upper H TYR 55 - HB3 TYR 55 3.56 20 0.12 0.34 ++++++*+++++++++++++ peak 685
Upper H TYR 55 - HD2 PRO 56 4.03 20 0.33 0.34 +++++++++++++*++++++ peak 4580
H TYR 55 - HD3 PRO 56
Upper HA TYR 55 - QE TYR 55 4.46 20 0.19 0.30 +++++++++++++++++*++ peak 4639
Upper QD TYR 55 - QD2 LEU 57 3.93 6 0.02 0.09 +++ + +* peak 4919
QD2 LEU 43 - QD PHE 48
Upper QD TYR 55 - QD2 LEU 57 3.84 10 0.02 0.06 + * + + + +++ ++ peak 5012
H LEU 29 - QD1 LEU 64
H ALA 30 - QD1 LEU 64
QD1 LEU 64 - H ARG 69
Upper HA PRO 56 - H LEU 57 2.92 19 0.25 0.35 ++*+++ +++++++++++++ peak 218
Upper HB2 PRO 56 - H LEU 57 3.87 8 0.05 0.25 + ++ + ++ *+ peak 219
HG3 PRO 56 - H LEU 57
Upper H LEU 57 - H THR 58 4.50 19 0.06 0.10 *+++++ +++++++++++++ peak 928
Upper QD1 LEU 57 - H THR 58 4.97 14 0.04 0.08 ++ ++ +++ ++ +++ *+ peak 231
Upper HA THR 58 - HB2 GLU 59 4.40 8 0.03 0.14 + + ++ *++ + peak 4628
HA THR 58 - HB3 GLU 59
Upper HA GLU 59 - HA LEU 62 4.19 20 0.33 0.37 ++++++++++++++*+++++ peak 4677
HA LEU 62 - HA ALA 63
Upper HA GLU 59 - QD2 LEU 62 3.30 6 0.01 0.04 + *++ + + peak 4595
HZ PHE 35 - QD1 LEU 52
HZ PHE 48 - QD1 LEU 52
Upper HA SER 60 - H ALA 63 3.80 18 0.08 0.17 +++*+++++ ++++++++ + peak 4690
H ALA 63 - HA LEU 64
Upper H GLN 61 - HB3 LEU 62 5.44 13 0.07 0.18 ++++ *++ ++ ++++ peak 5778
Upper H LEU 62 - QD2 LEU 62 4.21 20 0.19 0.22 ++*+++++++++++++++++ peak 722
Upper HA LEU 62 - QD1 LEU 62 3.42 13 0.07 0.17 +++ ++ ++ * + ++++ peak 2600
Upper HG LEU 62 - H ALA 63 4.73 16 0.07 0.18 ++++ ++++++*++++ + peak 3909
H ALA 63 - HG LEU 64
Upper QD1 LEU 62 - H ALA 63 4.62 14 0.05 0.15 ++* ++ + + ++ + ++++ peak 260
Upper HA ALA 63 - H VAL 65 4.16 11 0.04 0.12 + + + + ++ + + *++ peak 5862
HA ALA 78 - HB2 TYR 81
Upper QB ALA 63 - QD2 LEU 64 4.90 19 0.36 0.49 ++++++ +++++++*+++++ peak 4681
Upper H LEU 64 - HG LEU 64 3.99 17 0.18 0.41 ++++ + ++*++++++++ + peak 731
Upper H LEU 64 - QD1 LEU 64 4.07 20 0.20 0.27 +++++++++++++++*++++ peak 2647
Upper H LEU 64 - HB VAL 65 5.19 8 0.03 0.14 + *+ + + + ++ peak 4698
Upper HA LEU 64 - QD2 LEU 64 3.96 17 0.07 0.16 + ++++*++ +++++++ ++ peak 2617
Upper HB3 LEU 64 - H VAL 65 3.84 11 0.03 0.13 ++ + + + +++ *++ peak 267
H VAL 65 - HG3 ARG 66
Upper H VAL 65 - QG1 VAL 65 3.65 17 0.08 0.10 +++++* ++ ++++++++ + peak 2664
Upper QG1 VAL 65 - H ARG 69 3.80 10 0.04 0.25 ++ + + + + +++* peak 762
H ARG 69 - HG2 ARG 69
Upper QG2 VAL 65 - HA ARG 66 4.53 20 0.68 0.76 +++++++++++*++++++++ peak 5244
Upper H ARG 66 - HB2 ARG 66 3.54 20 0.04 0.06 ++++++++++++++++++*+ peak 741
Upper HA ARG 66 - HG2 ARG 66 3.61 6 0.01 0.06 ++ +* + + peak 2699
HA VAL 76 - HB3 GLN 79
Upper HB3 ARG 66 - HA ASP 67 3.46 9 0.05 0.16 ++ + + * +++ + peak 4742
HA ASP 67 - HB2 ARG 70
HA ASP 67 - HB3 ARG 70
Upper HG2 ARG 66 - H ASP 67 4.42 8 0.02 0.11 ++ + ++ ++ * peak 280
Upper HA ILE 68 - HB2 ARG 69 4.62 20 0.90 0.99 ++++++++*+++++++++++ peak 4748
Upper H ARG 69 - HD2 ARG 69 4.41 10 0.05 0.16 *+ + + +++++ + peak 5820
H ARG 69 - HD3 ARG 69
Upper HB3 ARG 69 - H LYS 73 3.99 11 0.05 0.16 + *+ ++ ++++++ peak 790
HG3 ARG 69 - H LYS 73
H LYS 73 - HG3 LYS 73
Upper HG3 ARG 69 - H ARG 70 4.86 6 0.02 0.08 + + + + + * peak 3944
Upper H ARG 70 - HG2 ARG 70 3.98 6 0.04 0.17 * + + ++ + peak 770
Upper HB2 ARG 70 - H ARG 71 3.36 7 0.04 0.13 *+ ++ + ++ peak 306
HB3 ARG 70 - H ARG 71
Upper HG2 ARG 70 - H ARG 71 4.04 6 0.02 0.13 + * ++ ++ peak 307
Upper H GLY 72 - H ASN 74 4.30 7 0.02 0.08 + + * + + ++ peak 322
H LYS 73 - H ASN 74
Upper H LYS 73 - HB3 LYS 73 3.13 16 0.07 0.27 + +++++++ + +++*+++ peak 788
Upper H LYS 73 - HG2 LYS 73 3.87 13 0.04 0.29 +* ++ + + ++ ++ + ++ peak 789
Upper H LYS 73 - H ASN 74 4.23 8 0.07 0.19 + ++ * + + ++ peak 944
Upper HA LYS 73 - HD2 LYS 73 3.92 6 0.02 0.06 ++ ++ * + peak 3019
HA LYS 73 - HD3 LYS 73
Upper HB3 LYS 73 - H VAL 76 3.78 9 0.02 0.09 ++ * + + + ++ + peak 341
HB3 LYS 75 - H VAL 76
Upper H LYS 75 - H VAL 76 4.32 6 0.02 0.12 + * + + + + peak 5410
Upper HA LYS 75 - H VAL 76 3.08 12 0.08 0.23 +++ ++ ++ ++ ++ * peak 339
H VAL 76 - HA ALA 77
Upper H VAL 76 - HB VAL 76 3.16 8 0.05 0.30 ++ + + ++* + peak 813
Upper H VAL 76 - H ALA 77 3.88 13 0.19 0.46 ++++ ++ +++ +*+ + peak 5411
Upper HB VAL 76 - H ALA 77 3.72 15 0.15 0.25 ++*+ +++ ++++ +++ + peak 350
Upper QB ALA 77 - HA GLN 79 3.72 12 0.05 0.13 + +*+ + ++ ++ + ++ peak 5446
QB ALA 78 - HA GLN 79
Upper QD TYR 81 - HB3 ARG 82 4.51 6 0.02 0.13 +* + + + + peak 4683
Upper H ARG 82 - HB2 ARG 82 3.91 7 0.03 0.14 + ++ ++ + * peak 5477
Upper HA ARG 82 - HG2 ARG 82 3.50 11 0.05 0.18 + +++ + ++*+ + + peak 5885
Upper H ILE 89 - HB ILE 89 3.51 10 0.05 0.16 ++ + * +++ + ++ peak 877
VdW H LEU 29 - CG LEU 29 2.55 9 0.16 0.26 ++ + ++ + +* +
VdW HA ILE 33 - CD PRO 34 2.60 20 0.29 0.31 +++++++++++++++++*++
VdW C ILE 33 - H PHE 35 2.45 20 0.35 0.38 ++++++*+++++++++++++
VdW CG1 VAL 45 - C VAL 45 2.90 20 0.28 0.29 ++++++++++++++++*+++
VdW C TYR 55 - H LEU 57 2.45 19 0.29 0.38 ++++++ +++++++*+++++
151 violated distance restraints.
5 violated van der Waals restraints.
0 violated angle restraints.
RMSDs for residues 21..66:
Average backbone RMSD to mean : 0.68 +/- 0.20 A (0.43..1.04 A; 20 structures)
Average heavy atom RMSD to mean : 1.14 +/- 0.15 A (0.97..1.54 A; 20 structures)