Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 151.62 108 0.0820 1.73 84 62.6 0.53 20 3.3835 18.00
2 152.49 102 0.0817 1.62 83 65.9 0.58 25 3.5828 16.65
3 155.14 112 0.0832 1.36 78 64.1 0.62 20 3.1663 15.38
4 155.20 108 0.0837 1.76 63 61.1 0.58 21 3.0631 16.05
5 155.32 111 0.0829 1.56 74 64.5 0.48 21 3.4064 16.40
6 155.61 106 0.0833 1.67 80 66.2 0.47 22 3.1418 14.05
7 155.87 112 0.0839 1.55 74 61.0 0.52 24 3.1817 17.64
8 155.93 102 0.0828 1.52 85 65.2 0.61 19 3.4917 25.60
9 156.34 105 0.0823 1.63 94 67.6 0.48 21 3.8966 27.47
10 156.79 113 0.0833 1.52 85 65.4 0.51 25 3.5332 17.03
11 156.80 106 0.0834 1.69 88 65.1 0.58 23 3.0879 15.21
12 156.88 110 0.0832 1.40 86 67.0 0.58 24 3.4127 15.37
13 157.36 108 0.0819 1.68 90 70.7 0.76 27 4.2745 24.42
14 157.76 109 0.0827 1.67 88 68.0 0.49 25 3.9659 26.72
15 159.34 113 0.0834 1.66 90 65.3 0.56 22 3.9794 26.33
16 159.53 109 0.0838 1.57 82 68.0 0.58 21 3.3858 16.87
17 159.62 106 0.0837 1.79 99 68.5 0.61 21 3.0911 13.87
18 160.54 104 0.0837 1.66 96 68.4 0.57 25 3.5628 21.36
19 160.88 121 0.0848 1.98 86 65.2 0.54 21 3.3850 17.97
20 161.07 113 0.0842 1.70 85 66.7 0.59 26 3.6927 16.03
Ave 157.00 109 0.0832 1.63 85 65.8 0.56 23 3.4842 18.92
+/- 2.52 4 0.0008 0.13 8 2.4 0.06 2 0.3296 4.46
Min 151.62 102 0.0817 1.36 63 61.0 0.47 19 3.0631 13.87
Max 161.07 121 0.0848 1.98 99 70.7 0.76 27 4.2745 27.47
Cut 0.60 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper HA THR 18 - H LYS 19 2.89 9 0.61 0.67 + *++ + ++ + + peak 226
Upper HA VAL 20 - H ALA 21 2.64 7 0.65 0.92 ++ + + ++ * peak 6176
Upper HA LEU 22 - H ARG 23 2.55 6 0.49 1.02 + + + ++ * peak 375
Upper H ARG 23 - HB3 ARG 23 3.04 9 0.49 0.86 ++ ++ *++ + + peak 6204
Upper H LYS 26 - HB2 LYS 26 2.70 9 0.49 1.05 +* + + + +++ + peak 6250
Upper H LYS 26 - HB3 LYS 26 2.98 9 0.57 0.76 +* ++++ ++ + peak 6251
Upper HG3 LYS 26 - H GLN 27 3.63 11 0.54 0.94 + +*++++ ++ ++ peak 6265
Upper H GLN 27 - HB2 GLN 27 2.66 6 0.59 1.42 + * + ++ + peak 6271
Upper HA GLN 27 - H ALA 28 2.86 9 0.47 0.70 ++ +++ ++ +* peak 700
Upper HB3 GLN 27 - H ALA 29 4.59 7 0.47 1.40 + + + *+ ++ peak 10788
Upper HA ALA 29 - HB2 GLU 30 4.42 13 0.66 0.85 +++* ++ + ++ ++ ++ peak 10735
Upper QB ALA 29 - HA ILE 32 4.94 13 0.68 0.90 * + + ++++++++ ++ peak 10762
Upper HB3 GLU 30 - HB ILE 32 5.92 7 0.59 0.99 + * + ++ + + peak 10834
Upper HB ILE 32 - H SER 33 3.00 16 0.70 0.95 ++ + + + +++++++++*+ peak 6361
Upper HG13 ILE 32 - HA SER 33 5.97 12 0.61 0.68 ++ + + ++ + +++*+ peak 10758
Upper H SER 33 - HA ALA 34 3.83 16 0.63 0.78 ++++* ++ ++++++ +++ peak 10868
Upper HA SER 33 - H ALA 34 2.66 20 0.85 0.90 +++++*++++++++++++++ peak 939
Upper HA ALA 34 - HA ASP 35 3.80 20 0.96 0.98 ++++++*+++++++++++++ peak 10794
Upper HB3 LYS 36 - H ILE 37 3.51 17 0.59 0.76 +++* + + +++++++++++ peak 6405
Upper HG2 LYS 36 - QG2 ILE 37 3.63 16 0.71 1.06 +++ * + +++++++++++ peak 10820
Upper HG12 ILE 37 - QB ALA 41 4.56 19 0.98 1.13 ++++ +++++++++*+++++ peak 10914
Upper HA LYS 39 - HG LEU 42 5.10 20 0.78 0.90 +++++++++++*++++++++ peak 10869
Upper HB2 LYS 39 - QG2 VAL 133 4.12 8 0.61 1.14 ++++ + + * + peak 11767
Upper HG3 LYS 39 - QD2 LEU 42 3.59 14 0.67 0.92 ++++ +++ ++ ++*++ peak 10873
Upper HE2 LYS 39 - QD2 LEU 42 4.42 20 0.86 0.96 +++*++++++++++++++++ peak 9097
Upper QB ALA 41 - QD1 LEU 42 4.26 16 0.67 0.76 ++* + ++++++++++ ++ peak 10872
Upper HB2 LEU 42 - QD1 LEU 43 4.31 8 0.60 1.00 +*+ + + + ++ peak 11903
Upper HG LEU 42 - QG1 VAL 133 4.61 19 0.74 0.91 ++++*++ ++++++++++++ peak 11673
Upper QD1 LEU 42 - QD2 LEU 69 3.99 15 0.64 0.85 +++*+++ ++ + + +++ + peak 11062
Upper QD2 LEU 42 - HA LEU 69 4.20 20 1.18 1.34 ++++++++++++++++++*+ peak 9100
Upper QD2 LEU 42 - QD TYR 72 4.46 19 0.87 1.01 ++++++++++++++ ++++* peak 9108
Upper HB2 LEU 43 - QB ALA 46 4.00 15 0.59 0.76 +++++++++ +*+ ++ + peak 9183
Upper HA GLU 44 - QB ALA 46 4.23 19 0.73 0.85 +++++*++++++++ +++++ peak 9188
Upper HB2 GLU 44 - HA ALA 46 6.80 20 1.00 1.06 +++++*++++++++++++++ peak 9172
Upper QB ALA 46 - QG1 VAL 133 4.40 17 0.93 1.16 ++++*+ +++ ++++++++ peak 10573
Upper QD2 LEU 48 - QB ALA 52 2.88 8 0.53 0.78 +++ + * + ++ peak 9231
QB ALA 52 - QD1 LEU 62
Upper H LEU 49 - QD2 LEU 62 4.66 14 0.62 0.84 *+ + ++++ ++++ +++ peak 11008
Upper HB2 SER 50 - HG LEU 53 5.46 8 0.62 1.00 + + + *+ + + + peak 11816
Upper HA LEU 53 - QG2 THR 54 3.85 20 0.72 0.79 +++++++++++++++++*++ peak 9263
Upper HA THR 54 - HB3 GLU 55 4.71 20 0.84 0.98 +++++++++++++++*++++ peak 9269
Upper QG1 VAL 57 - HA PRO 58 4.69 20 0.71 0.82 +++++++*++++++++++++ peak 10926
Upper QG1 VAL 57 - HB3 PRO 58 4.60 20 0.95 1.11 +++++++*++++++++++++ peak 10929
Upper QG2 VAL 57 - HA LEU 62 3.62 18 0.80 1.01 +++++++++++*+++ + ++ peak 9305
Upper HA ASN 59 - QD2 LEU 62 4.28 17 0.68 0.82 +++++++ ++++++* ++ + peak 9387
Upper HA GLN 61 - QG2 VAL 63 4.53 11 0.64 1.00 + *+ +++ +++++ peak 9379
Upper QD2 LEU 62 - QD2 LEU 123 4.32 20 0.89 1.08 +++++*++++++++++++++ peak 10348
Upper HA VAL 63 - QD1 LEU 103 4.33 19 0.92 1.20 +*++++++++++++++++ + peak 11835
Upper QG2 VAL 63 - H THR 65 4.19 20 0.98 1.07 *+++++++++++++++++++ peak 9415
Upper QG2 VAL 63 - HD2 HIS 67 4.83 20 1.06 1.26 +++++++++++++++++*++ peak 10982
Upper QG2 VAL 63 - HG3 GLN 104 3.53 19 0.89 1.14 ++++++++++++ *++++++ peak 11523
Upper HA ASP 64 - HD2 HIS 67 5.32 15 0.65 0.80 +++++++ *++++++ + peak 10985
Upper QG2 THR 65 - HB3 LEU 69 3.46 20 0.86 1.10 +++++++++++++++++*++ peak 9443
Upper QG2 THR 65 - QD1 LEU 69 4.20 20 0.88 0.96 ++++++++++*+++++++++ peak 11047
Upper HA HIS 67 - QD1 LEU 70 3.71 20 1.22 1.34 +++++++*++++++++++++ peak 9462
Upper HD2 HIS 67 - HA LEU 70 5.88 20 0.97 1.14 ++++++++++++++++++*+ peak 11079
Upper HD2 HIS 67 - QD1 LEU 70 4.05 20 1.20 1.33 ++*+++++++++++++++++ peak 11096
Upper HB2 GLN 68 - H LEU 70 4.88 16 0.67 0.78 *+++ +++ +++++++++ peak 9483
Upper HG3 GLN 68 - HB3 ASP 71 4.76 9 0.61 1.15 ++ ++ + *+++ peak 11025
Upper HG LEU 69 - H LEU 70 4.62 8 0.58 0.69 + + +* + + + + peak 6943
Upper HG LEU 69 - QD1 ILE 129 4.13 12 0.54 0.80 ++++ + +++* ++ + peak 11713
Upper QD1 LEU 69 - HB VAL 126 4.46 20 0.91 1.02 +*++++++++++++++++++ peak 11069
Upper QD2 LEU 69 - QD1 LEU 96 3.01 19 0.69 0.80 +++++++++++*+++++ ++ peak 11040
QD2 LEU 69 - QD2 LEU 96
Upper QD2 LEU 69 - HA VAL 126 4.32 7 0.56 0.70 ++ + ++ + * peak 11052
Upper HG LEU 70 - HA ASP 71 5.44 20 0.98 1.09 ++++++++++++++++++*+ peak 11117
Upper QD1 LEU 70 - HA TYR 72 5.81 20 1.60 1.98 ++++++++++++++++++*+ peak 11135
Upper QD1 LEU 70 - H GLN 101 5.32 20 0.96 1.19 ++++++++++*+++++++++ peak 11097
Upper HA TYR 76 - QD1 ILE 80 4.56 18 0.71 0.84 * +++++++ ++++++++++ peak 9736
Upper QE TYR 76 - QG1 VAL 77 5.97 19 0.75 0.85 ++++*+++++++++++ +++ peak 11170
Upper H VAL 77 - HE2 LYS 86 5.46 6 0.26 0.85 + + + + + * peak 11790
Upper H CYS 79 - QG2 ILE 80 4.41 14 0.61 0.66 + *+++ + + +++++ ++ peak 9698
Upper HB2 CYS 79 - HG13 ILE 80 4.98 6 0.54 0.88 +++ * + + peak 11214
Upper HB3 CYS 79 - HB ILE 80 5.08 6 0.58 0.65 * ++ + + + peak 11166
Upper H ILE 80 - HG12 ILE 80 3.58 20 0.77 0.94 +++++++*++++++++++++ peak 7075
Upper QG2 ILE 80 - HG3 GLN 82 4.33 8 0.49 0.86 + + + +++ * + peak 11262
Upper HG2 PRO 81 - H GLN 82 4.38 6 0.30 0.99 + + + *+ + peak 11914
Upper HG3 PRO 81 - QG2 VAL 133 4.03 20 1.28 1.52 ++++++++++++++++++*+ peak 10575
QG2 VAL 133 - HB2 GLN 134
Upper HA GLN 82 - QG2 THR 83 4.86 10 0.60 0.62 + + ++ + + * +++ peak 9769
Upper HA THR 83 - HB2 PHE 87 5.17 12 0.62 0.78 ++++ +++ ++ + * + peak 11357
Upper HB THR 83 - HB3 ARG 84 4.76 18 0.76 1.02 ++++++*+ ++++++ ++++ peak 9758
Upper QB ALA 88 - HB2 GLU 91 3.85 7 0.52 0.79 + + + +*++ peak 9865
Upper HA ARG 90 - QD1 ILE 129 4.37 7 0.55 0.98 + ++* ++ + peak 10467
Upper HA GLU 91 - HG2 GLU 91 3.54 15 0.57 0.71 +++++++ ++ +++++* peak 2877
Upper HB3 GLU 91 - QB ALA 92 4.23 15 0.68 0.90 + +*+++++ +++ ++ ++ peak 11316
Upper HG2 GLU 91 - HE3 LYS 95 4.40 7 0.52 0.81 + + + + + *+ peak 9908
Upper QB ALA 92 - HG13 ILE 129 3.91 6 0.41 0.90 * + + ++ + peak 11317
Upper QG1 VAL 93 - HA VAL 126 5.44 16 0.72 0.98 ++ ++*+++++ ++++++ peak 11416
Upper QG2 VAL 93 - HA SER 94 4.55 20 0.78 0.80 +*++++++++++++++++++ peak 9956
Upper HA SER 94 - HB2 GLU 97 3.83 14 0.59 0.79 +++ +++* ++ ++++ + peak 3117
Upper HA SER 94 - QD1 ILE 129 5.20 20 0.90 1.05 +++++++++++++++++*++ peak 11710
Upper HA LYS 95 - QD1 LEU 98 3.94 15 0.69 0.84 +++++++++ ++ + ++* peak 11469
Upper HG2 LYS 95 - HB3 CYS 125 5.79 11 0.59 0.80 * ++ + + +++++ + peak 11448
Upper H GLU 97 - HG LEU 98 4.62 8 0.40 0.96 + + + ++ *++ peak 10021
Upper QD1 LEU 98 - HB3 GLN 101 4.40 8 0.54 1.13 + + + ++ *++ peak 10049
Upper HB3 GLU 102 - QG1 VAL 118 3.95 7 0.39 0.74 + *+ + + + + peak 11606
Upper HA GLN 104 - HE21 GLN 104 4.56 17 0.91 1.14 ++++++++ ++ ++++++* peak 3418
Upper QG2 VAL 105 - HA SER 107 5.06 20 0.83 1.00 +++++++++++++++++++* peak 10113
Upper QG2 VAL 105 - QB ALA 108 4.97 13 0.63 0.84 +* ++++++++ ++ + peak 10084
Upper HA SER 107 - QB ALA 108 3.77 16 0.69 1.01 +++++++ ++++ *++++ peak 10852
Upper HB VAL 112 - HD3 PRO 113 3.69 20 1.04 1.09 ++++++++++++++++*+++ peak 10129
Upper QG1 VAL 112 - H GLY 114 4.24 7 0.61 0.79 + *+ ++++ peak 11518
Upper HG3 PRO 113 - H GLY 114 4.34 16 0.56 0.70 +*++++++ +++ +++++ peak 7595
Upper HG3 PRO 113 - HA THR 115 4.62 16 0.67 0.96 ++++++++ +++ ++*++ peak 11939
Upper HD2 PRO 113 - H GLY 114 4.70 16 0.73 0.80 ++++++++ +++ +*+++ peak 7596
Upper H GLY 114 - H ASN 116 4.06 20 0.99 1.17 +*++++++++++++++++++ peak 11513
Upper HA2 GLY 114 - HB THR 115 3.83 20 1.26 1.67 +++++++++++++*++++++ peak 10187
Upper HA3 GLY 114 - QG2 THR 115 4.56 16 0.73 0.97 ++++++++ +++ +++*+ peak 11574
Upper QG2 THR 115 - HD3 PRO 117 3.95 20 1.00 1.13 ++++++++++*+++++++++ peak 11575
Upper H ASN 116 - HB VAL 118 5.27 18 0.67 0.86 +++++++++++ *++++++ peak 10199
Upper HD21 ASN 116 - QD1 LEU 119 4.16 18 0.79 0.92 ++++++*+ ++ ++++++++ peak 10218
Upper HA PRO 117 - HB VAL 118 4.67 20 1.07 1.11 ++++++++++++++++++*+ peak 11542
Upper HA PRO 117 - QG1 VAL 118 5.20 20 0.89 0.92 +++++++++++*++++++++ peak 11600
Upper HA PRO 117 - QG2 VAL 118 4.23 19 0.70 0.87 ++++++++++++++++++ * peak 10272
Upper HB2 PRO 117 - HB3 ASN 120 4.34 20 0.87 1.03 +++*++++++++++++++++ peak 10301
Upper H ASN 120 - QD2 LEU 123 4.52 12 0.58 0.72 ++ + ++++ +++ *+ peak 11574
QD2 LEU 123 - H CYS 125
Upper HA ASN 120 - QD1 LEU 123 3.92 20 1.01 1.12 +++++++*++++++++++++ peak 11631
Upper HA LEU 122 - QG1 VAL 126 4.96 14 0.67 1.32 ++++ ++ + ++ +*+++ peak 11604
Upper HB2 LEU 122 - HB3 CYS 125 4.35 14 0.72 1.49 ++ +++ +*+ ++++++ peak 11656
Upper HA LEU 123 - HA VAL 126 5.00 16 0.64 0.74 *++++ + ++ +++++ +++ peak 11669
Upper HA LEU 123 - QG1 VAL 126 3.31 17 0.69 0.81 +++++++ ++ *++++++ + peak 10393
Upper QD1 LEU 123 - HB3 SER 124 4.13 7 0.51 0.79 + + + + * ++ peak 10372
Upper QD2 LEU 123 - HB3 GLN 127 4.23 9 0.53 0.80 ++ + +++ * + + peak 11500
Upper QD2 LEU 123 - HG2 GLN 127 5.08 8 0.53 0.96 ++ + + + * ++ peak 11582
Upper HA SER 124 - HB2 GLN 127 3.92 8 0.33 0.79 ++ + * + + ++ peak 3966
Upper HA CYS 125 - HA GLU 128 4.89 12 0.62 0.79 +++* ++++ +++ + peak 11644
Upper H GLN 127 - HG3 GLU 128 5.72 9 0.58 0.88 + ++ + + + + *+ peak 11699
Upper HG2 GLU 128 - QG2 ILE 129 4.49 12 0.68 0.96 ++ + + ++++ *++ + peak 11239
Upper QD1 ILE 129 - QG2 VAL 132 4.02 6 0.25 0.82 +++ * + + peak 10490
Upper HB3 ASP 131 - HB VAL 132 4.59 6 0.55 0.77 ++* + + + peak 10516
Upper HB VAL 132 - QG1 VAL 133 4.39 20 1.02 1.21 *+++++++++++++++++++ peak 11670
VdW CG2 THR 18 - C THR 18 2.90 20 0.29 0.32 ++++++++++++*+++++++
VdW H GLN 27 - CG GLN 27 2.55 8 0.13 0.31 + *+ + + ++ +
VdW HB2 GLN 27 - H ALA 28 1.95 6 0.10 0.39 * + + ++ +
VdW O ALA 28 - HG13 ILE 32 2.30 6 0.10 0.43 + + + *+ +
VdW HA ALA 29 - CG1 ILE 32 2.60 14 0.21 0.26 ++ + ++++++++*++
VdW CG2 ILE 32 - CD1 ILE 32 3.00 8 0.19 0.24 + + * + + ++ +
VdW CG2 ILE 32 - N SER 33 3.05 14 0.22 0.34 ++++ + +++ ++++ *+
VdW HG22 ILE 32 - CD1 ILE 32 2.60 6 0.08 0.28 + *+ + + +
VdW HG23 ILE 32 - CD1 ILE 32 2.60 7 0.10 0.26 * + ++ + + +
VdW O SER 33 - HG12 ILE 37 2.30 9 0.19 0.24 * ++++ ++ + +
VdW CG LYS 36 - C LYS 36 2.90 20 0.23 0.24 ++++++*+++++++++++++
VdW HG2 LYS 36 - C LYS 36 2.50 20 0.47 0.49 ++++++++++++++++++*+
VdW H ILE 37 - CG1 ILE 37 2.55 17 0.23 0.29 ++++ + + ++++++++*++
VdW H ILE 37 - HG12 ILE 37 1.95 19 0.29 0.43 ++++ +++++++++*+++++
VdW O SER 38 - C LYS 39 2.80 6 0.19 0.22 + + * + + +
VdW HG2 LYS 39 - CG1 VAL 133 2.60 6 0.09 0.41 +++ + + *
VdW C CYS 45 - CD2 LEU 69 3.10 12 0.19 0.25 +++ ++++ + ++ *+
VdW HA ALA 46 - HD23 LEU 69 2.00 7 0.09 0.23 +++ + * + +
VdW O LEU 49 - HG LEU 53 2.30 10 0.15 0.35 ++ + ++++ +* +
VdW CD1 LEU 53 - HB2 LEU 123 2.60 6 0.10 0.27 +* + ++ +
VdW O THR 65 - HG2 GLN 68 2.30 11 0.18 0.43 ++++ +*+ + +++
VdW CG GLN 68 - N LEU 69 3.05 13 0.21 0.25 ++++ + ++++ + + *+
VdW O LEU 69 - N CYS 73 2.75 13 0.23 0.33 ++ + +++ *++ + +++
VdW O LEU 69 - SG CYS 73 3.10 19 0.36 0.46 +*++++ +++++++++++++
VdW CD1 LEU 70 - HB3 GLU 97 2.60 15 0.35 0.48 ++++++++ ++ ++*+ +
VdW O TYR 72 - N TYR 76 2.75 12 0.26 0.50 ++ *+++ + + ++ ++
VdW O TYR 72 - CB TYR 76 2.90 17 0.30 0.40 +++ *+++++++++ ++ ++
VdW HA CYS 73 - HZ PHE 89 2.00 7 0.16 0.27 + +* + ++ +
VdW SG CYS 73 - CG2 VAL 93 3.40 8 0.13 0.26 +* ++ + + + +
VdW SG CYS 73 - HG22 VAL 93 2.80 9 0.15 0.41 +++* + + + + +
VdW O TYR 76 - N CYS 79 2.75 13 0.21 0.26 +++ + +*+ +++ + ++
VdW CG1 VAL 77 - N ASP 78 3.05 20 0.33 0.38 ++++*+++++++++++++++
VdW CG2 VAL 77 - HG2 ARG 90 2.60 7 0.15 0.31 + + + + *++
VdW O VAL 77 - HE2 LYS 86 2.30 6 0.09 0.36 * + + + + +
VdW O CYS 79 - C ILE 80 2.80 19 0.23 0.25 *++++ ++++++++++++++
VdW HA ILE 80 - CD PRO 81 2.60 15 0.25 0.31 + ++ ++++++++*+++
VdW CG2 ILE 80 - C ILE 80 2.90 20 0.33 0.33 +*++++++++++++++++++
VdW CG2 ILE 80 - O GLN 82 2.90 16 0.24 0.39 * +++ ++++ ++++++++
VdW C ILE 80 - H GLN 82 2.45 8 0.12 0.33 + + + + +++ *
VdW N ASN 85 - ND2 ASN 85 2.90 7 0.12 0.40 + + + + *+ +
VdW O ASN 85 - N PHE 89 2.75 6 0.20 0.40 + ++ + * +
VdW O ALA 88 - HG3 GLU 91 2.30 7 0.16 0.31 + ++ *+ ++
VdW HE2 PHE 89 - CG2 VAL 133 2.60 6 0.13 0.27 + + ++ +*
VdW O ALA 92 - SG CYS 125 3.10 6 0.14 0.44 *++++ +
VdW O SER 94 - HG3 GLU 97 2.30 9 0.16 0.27 + +++ ++ *++
VdW CB LYS 95 - SG CYS 125 3.40 11 0.18 0.33 + ++++ *++ + ++
VdW HB2 LYS 95 - SG CYS 125 2.80 7 0.15 0.42 ++ * + + ++
VdW HG LEU 96 - C LEU 96 2.50 14 0.21 0.41 ++ + + +++*++++ ++
VdW H GLU 97 - CG GLU 97 2.55 20 0.28 0.36 +++++++++++*++++++++
VdW O LEU 98 - HG2 GLN 101 2.30 8 0.18 0.34 + + ++ + ++*
VdW HG LEU 100 - CD1 LEU 122 2.60 7 0.12 0.26 + + +* ++ +
VdW O GLN 101 - CG2 VAL 105 2.90 9 0.19 0.35 ++ *+ + + + ++
VdW HA GLU 102 - CG2 VAL 105 2.60 17 0.28 0.43 ++++++ +++++*++ ++ +
VdW CG GLU 102 - C GLU 102 2.90 6 0.08 0.24 *++ + + +
VdW C GLU 102 - HG21 VAL 105 2.50 7 0.12 0.33 + ++ +* ++
VdW O GLU 102 - CB SER 106 2.90 9 0.17 0.29 ++ + + + * ++ +
VdW HB2 LEU 103 - CG1 VAL 118 2.60 16 0.25 0.35 ++++ +++ ++++++ ++*
VdW O LEU 103 - N SER 107 2.75 14 0.34 0.58 +*+ ++++++ + ++++
VdW O LEU 103 - CB SER 107 2.90 13 0.22 0.36 +++ +* ++ + ++ ++ +
VdW CB GLN 104 - HE21 GLN 104 2.55 13 0.19 0.33 +++ ++++ + ++ *+ +
VdW CG2 VAL 105 - N SER 106 3.05 16 0.24 0.30 +++ *+ ++++++++ ++ +
VdW CG2 VAL 105 - H SER 106 2.55 16 0.25 0.35 +++ ++ ++++++++ +* +
VdW O SER 106 - C SER 107 2.80 15 0.28 0.43 ++* ++ +++++++ ++ +
VdW O SER 107 - C ALA 108 2.80 6 0.15 0.30 * ++ + + +
VdW HA VAL 112 - CD PRO 113 2.60 20 0.23 0.24 *+++++++++++++++++++
VdW CG1 VAL 112 - HD2 PRO 113 2.60 20 0.37 0.48 ++++++++*+++++++++++
VdW CG1 VAL 112 - HB THR 115 2.60 16 0.25 0.35 ++++++++ +*+ +++++
VdW O PRO 113 - C GLY 114 2.80 17 0.23 0.45 ++++++++ +++* +++++
VdW HA ASN 116 - CD PRO 117 2.60 19 0.22 0.28 +++++++++++ *+++++++
VdW CB ASN 116 - HD11 LEU 119 2.60 7 0.14 0.49 ++ + + *+ +
VdW CB ASN 116 - HD12 LEU 119 2.60 7 0.11 0.40 + ++ + * + +
VdW O ASN 116 - CD1 LEU 119 2.90 8 0.18 0.26 ++ + * ++ ++
VdW O LEU 122 - N VAL 126 2.75 19 0.40 0.51 ++++++++++++++*+ +++
VdW O LEU 122 - H VAL 126 1.80 19 0.39 0.48 ++++++++++++++*+ +++
VdW CD1 LEU 123 - C LEU 123 3.10 10 0.20 0.31 + + + ++ + * +++
VdW CD1 LEU 123 - HG3 GLN 127 2.60 10 0.13 0.29 ++ + ++++ *+ +
VdW O LEU 123 - HB2 GLN 127 2.30 11 0.21 0.47 ++ + ++++ + ++ *
VdW O LEU 123 - CG GLN 127 2.90 6 0.08 0.25 + * + + ++
VdW O CYS 125 - HG12 ILE 129 2.30 14 0.20 0.34 ++++ + ++++ +*++ +
VdW HA VAL 126 - CG1 ILE 129 2.60 8 0.15 0.29 ++ + ++ + +*
VdW CG GLU 128 - C GLU 128 2.90 14 0.21 0.23 + +++++ +*++++++
VdW HG3 GLU 128 - C GLU 128 2.50 15 0.25 0.41 + +*+++ ++++ +++++
VdW N ILE 129 - HG12 ILE 129 2.45 14 0.23 0.36 ++*+ + ++++ ++++ +
VdW H ILE 129 - CG1 ILE 129 2.55 16 0.27 0.39 ++++++ + ++++ ++*+ +
VdW H ILE 129 - HG12 ILE 129 1.95 14 0.41 0.62 ++*+ + ++++ ++++ +
VdW O SER 130 - HG2 GLN 134 2.30 14 0.21 0.36 ++ +* + + ++++ + +++
VdW H VAL 132 - CG2 VAL 132 2.55 17 0.24 0.30 + +++++ *++ ++++++++
Angle PHI LYS 36 -93.10 -50.30 17 6.24 7.96 ++++ * + +++++++++++
Angle PHI LEU 43 -71.00 -51.00 8 4.75 9.05 ++ + ++ +* +
Angle PSI LEU 49 -54.80 -34.80 17 6.66 10.72 ++++++++++ ++++ ++*
Angle PHI SER 50 -73.90 -53.90 15 5.98 12.68 ++++++ +++* ++ ++ +
Angle PSI SER 51 -48.20 -26.80 9 3.98 9.43 ++ * + ++ ++ +
Angle PSI PRO 56 126.00 162.00 20 16.93 25.60 +++++++*++++++++++++
Angle PHI VAL 57 -140.60 -66.90 15 6.49 10.02 +++++ +++++ ++ * ++
Angle PHI TYR 72 -74.90 -54.10 16 6.46 10.15 ++ + + +++++++++++*
Angle PSI TYR 72 -51.90 -31.90 8 3.39 8.12 ++ + * + + + +
Angle PSI CYS 73 -50.30 -30.30 18 8.37 12.57 +++++++ +++*++++ +++
Angle PSI SER 74 -52.80 -28.40 18 9.22 12.60 +++ ++ *++++++++++++
Angle PHI TYR 76 -73.60 -53.60 19 11.55 18.24 ++++ +++++++++*+++++
Angle PHI CYS 79 -108.40 -67.40 20 7.33 12.24 ++++++++*+++++++++++
Angle PHI ASN 85 -73.70 -53.70 6 4.85 10.41 + + ++*+
Angle PSI PHE 87 -54.20 -34.20 12 4.82 9.03 ++ *+++++++++
Angle PHI ARG 90 -71.60 -51.40 10 4.88 8.14 + ++ +++ + +*+
Angle PHI GLU 91 -76.80 -56.80 10 4.82 7.43 * + + + + + ++++
Angle PHI ALA 92 -82.70 -47.20 8 5.14 14.38 + + ++++ +*
Angle PHI GLU 97 -72.50 -52.50 11 4.75 8.47 + + + ++ ++ +*++
Angle PSI LEU 100 -50.90 -30.90 18 7.18 10.95 +++++*++++ ++++ ++++
Angle PHI GLU 102 -78.80 -50.40 15 7.51 22.94 +++ +++ ++ +*++ ++ +
Angle PSI GLU 102 -54.00 -27.70 16 7.15 14.34 +++ ++++ +++*++ ++ +
Angle PSI LEU 103 -64.70 -1.00 10 4.35 8.57 ++ ++++++ * +
Angle PSI SER 106 -43.50 17.30 8 4.73 12.89 ++ ++ + * + +
Angle PSI PRO 113 122.00 170.00 19 11.20 27.47 ++++++++*+++++++ +++
Angle PHI CYS 125 -75.70 -55.70 14 5.76 9.29 ++ ++ +*+ + ++ + +++
Angle PSI CYS 125 -50.20 -27.70 14 6.83 10.91 + ++++++ +*++ +++
Angle PSI GLN 127 -52.90 -30.30 6 3.82 7.43 ++ + + * +
Angle PHI ILE 129 -73.70 -53.70 12 4.71 9.46 *+ + ++++ ++++ +
129 violated distance restraints.
87 violated van der Waals restraints.
29 violated angle restraints.
RMSDs for residues 36..131:
Average backbone RMSD to mean : 0.35 +/- 0.07 A (0.28..0.53 A; 20 structures)
Average heavy atom RMSD to mean : 0.73 +/- 0.06 A (0.64..0.85 A; 20 structures)