Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 4.06 143 0.0095 0.25 11 12.1 0.33 2 0.7837 5.84
2 4.27 158 0.0105 0.33 11 12.5 0.33 2 0.8002 5.63
3 4.36 164 0.0106 0.27 12 12.7 0.33 2 0.9089 5.96
4 4.42 161 0.0109 0.24 13 12.0 0.33 2 0.8927 5.88
5 4.45 172 0.0105 0.24 13 12.6 0.32 1 0.8697 6.00
6 4.55 162 0.0109 0.25 12 12.7 0.33 2 0.9118 6.21
7 4.59 166 0.0109 0.32 11 13.3 0.33 2 0.8592 5.59
8 4.64 170 0.0109 0.29 11 13.8 0.33 2 0.8529 5.58
9 4.66 154 0.0115 0.40 13 12.5 0.33 1 0.8832 5.70
10 4.69 161 0.0116 0.35 10 13.3 0.33 1 0.8189 5.59
11 4.73 168 0.0113 0.35 11 13.6 0.33 2 0.8844 5.45
12 4.84 164 0.0111 0.26 12 13.6 0.33 1 0.9226 5.68
13 4.97 163 0.0118 0.32 13 13.3 0.33 1 0.9560 6.17
14 4.98 159 0.0125 0.48 12 12.4 0.33 1 0.8594 5.99
15 4.99 158 0.0113 0.27 13 14.0 0.33 2 0.9480 5.92
16 5.00 161 0.0115 0.34 13 13.3 0.34 2 0.9320 5.85
17 5.02 170 0.0125 0.46 13 12.9 0.32 2 0.8771 5.76
18 5.03 165 0.0115 0.30 13 14.1 0.33 2 0.9579 5.79
19 5.10 190 0.0134 0.36 10 13.5 0.33 1 0.7257 5.35
20 5.13 171 0.0125 0.34 11 13.7 0.33 2 0.7953 5.48
Ave 4.72 164 0.0114 0.32 12 13.1 0.33 2 0.8720 5.77
+/- 0.30 9 0.0009 0.07 1 0.6 0.00 0 0.0607 0.23
Min 4.06 143 0.0095 0.24 10 12.0 0.32 1 0.7257 5.35
Max 5.13 190 0.0134 0.48 13 14.1 0.34 2 0.9579 6.21
Cut 0.02 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper HA THR 5 - QG1 VAL 6 3.61 11 0.03 0.08 + ++ ++*+ + +++ peak 8660
Upper QG2 VAL 6 - QG2 THR 8 3.49 15 0.05 0.15 + ++++++++++ ++ +* peak 8673
Upper HB3 HIS 7 - H THR 8 4.63 6 0.01 0.03 + + + + *+ peak 6051
Upper HB THR 8 - H SER 9 4.19 20 0.14 0.20 +++++*++++++++++++++ peak 100
Upper HB THR 8 - QG2 VAL 29 4.79 20 0.16 0.18 ++++++++++++*+++++++ peak 8689
Upper QG2 THR 8 - HA SER 9 4.16 20 0.08 0.11 ++++++++++*+++++++++ peak 10280
Upper QG2 THR 8 - QD PHE 10 4.34 15 0.05 0.09 +++ + +++*++++ + ++ peak 8025
Upper HA SER 9 - HB ILE 28 3.60 20 0.17 0.19 +++++++++++++*++++++ peak 8704
Upper HB2 SER 9 - QD PHE 10 4.15 11 0.03 0.07 +++ ++* + +++ + peak 8701
HB3 SER 9 - QD PHE 10
Upper H PHE 10 - QE PHE 10 4.87 17 0.04 0.06 +++++++ + ++++++*++ peak 8726
Upper H PHE 10 - QG2 ILE 11 5.22 18 0.05 0.08 +++++++*++++ ++++++ peak 8737
Upper H PHE 10 - H ILE 28 3.72 20 0.23 0.25 +++++*++++++++++++++ peak 6068
Upper H PHE 10 - HG13 ILE 28 4.52 20 0.13 0.15 +++*++++++++++++++++ peak 8707
Upper HA PHE 10 - QG2 VAL 69 6.00 20 0.09 0.16 ++++++++++++++++++*+ peak 9802
Upper HB2 PHE 10 - H ILE 11 3.64 10 0.02 0.05 +++ *++++++ peak 6082
Upper QD PHE 10 - HG2 GLN 27 5.66 20 0.07 0.11 ++++++++++++++++++*+ peak 11088
Upper QE PHE 10 - HD3 LYS 58 5.08 17 0.04 0.07 ++++++ +++ ++++++* + peak 9573
Upper QE PHE 10 - QG2 ILE 61 3.82 9 0.05 0.19 +++ ++ ++ *+ peak 8383
Upper H ILE 11 - QD1 ILE 11 3.79 20 0.12 0.15 +++*++++++++++++++++ peak 6092
Upper QG2 ILE 11 - HG13 ILE 11 3.11 20 0.07 0.07 ++++++++++++++++*+++ peak 166
Upper QG2 ILE 11 - HB2 ASP 26 4.12 20 0.17 0.19 ++++++++++++*+++++++ peak 11205
Upper QG2 ILE 11 - HG12 ILE 28 4.04 20 0.09 0.12 ++++++++++++*+++++++ peak 8053
Upper QG2 ILE 11 - HA VAL 102 4.31 6 0.01 0.05 +* + ++ + peak 8061
Upper HG12 ILE 11 - HB2 ASP 26 4.44 17 0.03 0.06 +++++++ ++++ +++*++ peak 11208
HG12 ILE 11 - HB3 ASP 26
Upper HG13 ILE 11 - H LEU 12 4.74 20 0.05 0.06 ++++++*+++++++++++++ peak 184
Upper HG13 ILE 11 - QD1 ILE 28 3.21 20 0.10 0.14 ++++++++++*+++++++++ peak 8552
Upper QD1 ILE 11 - H LEU 12 4.28 20 0.20 0.22 ++++++++++++++++++*+ peak 6101
Upper QD1 ILE 11 - H ASP 26 4.09 20 0.10 0.15 +++++++++++++*++++++ peak 10322
Upper H LEU 12 - HG LEU 12 4.40 16 0.03 0.06 ++ ++++ ++ ++*+++ ++ peak 6105
Upper HB2 LEU 12 - QG2 VAL 69 4.50 20 0.05 0.08 +++++++++++*++++++++ peak 10842
Upper HB3 LEU 12 - QG1 VAL 69 4.41 14 0.03 0.05 + ++++ + ++*+++ + + peak 9814
Upper QD1 LEU 12 - HA ILE 23 4.30 18 0.04 0.08 ++++++++++*+ ++++++ peak 8155
Upper QD1 LEU 12 - H ALA 24 2.99 20 0.05 0.08 ++++++++++*+++++++++ peak 10845
Upper QD1 LEU 12 - H GLN 72 4.70 20 0.09 0.13 ++++++++++*+++++++++ peak 9858
Upper QD2 LEU 12 - HB2 LYS 13 5.98 11 0.02 0.04 + +++* ++++ ++ peak 10662
Upper QD2 LEU 12 - H GLN 72 4.31 19 0.08 0.12 ++++*++++ ++++++++++ peak 9877
Upper QD2 LEU 12 - HA GLN 72 4.24 19 0.05 0.09 ++++++++++++++*++++ peak 9878
Upper HG2 LYS 13 - HA ASP 26 4.65 10 0.04 0.09 +*++++ + + ++ peak 10801
HG3 LYS 13 - HA ASP 26
Upper HD2 LYS 13 - QG1 VAL 103 3.51 6 0.01 0.05 +++ + +* peak 10717
HD2 LYS 13 - QG2 VAL 103
HD3 LYS 13 - QG1 VAL 103
HD3 LYS 13 - QG2 VAL 103
Upper HE2 LYS 13 - QB ALA 24 4.39 7 0.02 0.08 ++ + + + *+ peak 8802
Upper HE3 LYS 13 - QB ALA 24 4.91 9 0.02 0.06 ++++ + + + +* peak 8807
Upper H VAL 14 - QG1 VAL 103 4.04 6 0.01 0.04 + +* ++ + peak 10234
Upper HB VAL 14 - QG1 VAL 76 3.29 16 0.03 0.06 ++ ++++++++++ +*++ peak 10930
Upper HB VAL 14 - HA VAL 102 5.45 16 0.04 0.06 *++++++++ + ++ ++++ peak 11266
Upper QG1 VAL 14 - HA PHE 104 4.36 6 0.02 0.05 + ++ + +* peak 10244
Upper QG2 VAL 14 - HA VAL 76 4.86 9 0.02 0.05 + +*+ + ++ ++ peak 9950
Upper H LEU 15 - HG LEU 17 6.00 18 0.05 0.11 ++++++++++*+++++ + + peak 10285
Upper HH2 TRP 16 - HB2 PHE 79 6.00 14 0.03 0.09 ++ +++ +*+++++ + + peak 11049
Upper HH2 TRP 16 - QD2 LEU 83 3.88 18 0.04 0.08 +++ + +++++++++++++* peak 11199
Upper HA LEU 17 - HB2 ASP 18 4.41 19 0.11 0.48 +++++++++++++*+++++ peak 9001
Upper HB2 GLN 19 - H ASN 20 3.97 12 0.04 0.19 ++ ++ *+ + + ++++ peak 6234
Upper HA ASN 20 - HD2 PRO 43 4.52 6 0.01 0.06 + ++ *+ + peak 9244
Upper HB2 ASN 20 - HB2 ARG 44 6.00 10 0.04 0.09 ++ +++ * ++ + + peak 10897
Upper HB2 ASN 20 - HG2 ARG 44 5.31 10 0.13 0.32 + ++ +++ ++ + * peak 10895
HB2 ASN 20 - HG3 ARG 44
Upper QG1 VAL 21 - QB ALA 47 4.52 9 0.05 0.17 + ++ +++ +* + peak 9293
Upper QG1 VAL 21 - QD1 ILE 77 3.92 20 0.05 0.08 +++++++*++++++++++++ peak 9976
Upper QG2 VAL 21 - QG2 ILE 23 2.88 10 0.02 0.07 ++ ++ +*+ ++ + peak 11149
Upper QG2 VAL 21 - HE1 TRP 42 4.72 9 0.05 0.14 + ++ +++ ++ * peak 10861
Upper QB ALA 22 - H TYR 39 5.14 20 0.09 0.13 ++++++++++*+++++++++ peak 8889
Upper QG2 ILE 23 - H TRP 48 4.37 13 0.04 0.09 +++ ++ +*+ ++++ + peak 11154
Upper QB ALA 24 - H PHE 40 3.73 6 0.02 0.07 * + ++++ peak 8279
Upper H VAL 25 - QG2 THR 37 3.67 15 0.03 0.06 ++ ++++ + ++*+++++ peak 8266
Upper QG1 VAL 25 - HG LEU 36 3.65 20 0.06 0.10 ++++++++++*+++++++++ peak 8944
Upper HA ASP 26 - HB THR 33 5.67 9 0.02 0.04 ++ + ++ *+ ++ peak 11279
Upper HA ASP 26 - HB3 PRO 35 5.56 12 0.02 0.04 ++*+ + +++++++ peak 9132
Upper HB3 ASP 26 - HB THR 33 3.34 15 0.04 0.08 ++++ ++ ++*++++++ peak 8217
Upper HB3 ASP 26 - QG2 THR 33 3.38 20 0.06 0.08 ++++++++++++++*+++++ peak 8218
Upper H GLN 27 - H ILE 28 4.36 20 0.11 0.12 +++++++++*++++++++++ peak 6350
Upper H GLN 27 - HB THR 33 4.87 20 0.06 0.08 +++++++++++++*++++++ peak 8980
Upper H GLN 27 - HB2 PRO 35 5.77 20 0.07 0.08 *+++++++++++++++++++ peak 11002
Upper H GLN 27 - HB3 PRO 35 5.76 20 0.13 0.14 ++++++++++*+++++++++ peak 11001
Upper HA GLN 27 - HB ILE 28 4.61 15 0.03 0.04 +++++ + +++++++*+ peak 9032
Upper HB2 GLN 27 - HB3 SER 34 4.16 8 0.02 0.03 ++ *+ ++ + + peak 8235
HB3 GLN 27 - HB3 SER 34
Upper HG2 GLN 27 - QD1 LEU 36 4.14 6 0.01 0.04 ++ + + + * peak 8254
Upper HG2 GLN 27 - QD2 LEU 36 4.78 6 0.01 0.04 + + +* ++ peak 10351
Upper HG3 GLN 27 - HE21 GLN 27 3.23 20 0.09 0.12 +++++++++++++*++++++ peak 6339
Upper HG3 GLN 27 - H ILE 28 4.34 20 0.16 0.19 ++++++++++++++++*+++ peak 742
Upper HE21 GLN 27 - QD2 LEU 36 5.29 14 0.03 0.05 +++++ ++++ ++ + *+ peak 9149
Upper HE22 GLN 27 - QG2 VAL 29 3.85 8 0.02 0.04 *+ + ++ + ++ peak 10326
Upper HE22 GLN 27 - HH2 TRP 60 3.18 12 0.02 0.04 +++ + +++*++++ peak 10812
Upper HG12 ILE 28 - HA THR 33 5.57 20 0.15 0.18 +++++++++++++++++++* peak 9041
Upper HG12 ILE 28 - QG2 THR 33 3.61 20 0.15 0.18 +++++++++++++++++++* peak 9105
Upper HG13 ILE 28 - H VAL 29 4.37 20 0.06 0.08 ++++++++++*+++++++++ peak 6371
Upper QD1 ILE 28 - H VAL 29 4.22 19 0.04 0.07 ++++++++++*+ +++++++ peak 6372
Upper QD1 ILE 28 - HB THR 33 4.87 20 0.05 0.06 +++++++++++++++++++* peak 9103
Upper H VAL 29 - H GLY 32 3.46 20 0.08 0.10 +++++++++*++++++++++ peak 10813
Upper QG1 VAL 29 - HA2 GLY 32 5.18 6 0.02 0.03 + + * ++ + peak 9098
Upper QG1 VAL 29 - HA3 GLY 32 5.20 20 0.07 0.08 ++++++++++++++++*+++ peak 9099
Upper QG1 VAL 29 - HA THR 33 4.70 11 0.03 0.07 +++ +++ +* + + + peak 9076
Upper QG1 VAL 29 - HB2 SER 34 4.27 20 0.16 0.18 +++++++++*++++++++++ peak 8190
Upper QD1 LEU 36 - QD2 LEU 55 3.49 8 0.02 0.08 + + + ++ + *+ peak 8250
Upper QD2 LEU 36 - H THR 37 4.31 10 0.02 0.06 ++ + + + + + ++ * peak 6452
Upper QD2 LEU 36 - QD1 ILE 61 2.96 9 0.02 0.06 +++ +* ++ ++ peak 8249
Upper QG2 THR 37 - HG3 GLU 54 3.66 8 0.02 0.04 ++ + * ++ + + peak 8343
Upper QG2 THR 37 - HE2 LYS 58 4.11 18 0.06 0.10 + +++++ ++*+++++++++ peak 9557
Upper HB3 SER 38 - H TYR 39 3.51 18 0.08 0.10 +++ +++++*+++++++ ++ peak 1094
Upper QD PHE 40 - QD1 LEU 51 3.96 20 0.09 0.15 +++++++++*++++++++++ peak 9220
Upper HB3 PHE 41 - HB3 ARG 44 4.37 6 0.01 0.04 +++ + * + peak 10902
Upper HZ3 TRP 42 - H ALA 47 5.16 15 0.08 0.17 ++ ++++ ++ +++ ++*+ peak 9264
Upper HB2 ARG 44 - HA ALA 45 4.65 9 0.03 0.09 + ++ +++ * + + peak 9272
Upper HG2 ARG 44 - H ALA 45 3.64 20 0.16 0.34 +++++++++++++++*++++ peak 6545
Upper QB ALA 45 - HE21 GLN 50 3.64 20 0.10 0.15 +++++++*++++++++++++ peak 9393
Upper HA ALA 47 - HG3 GLN 50 5.25 13 0.04 0.09 + + ++++ +++ *+++ peak 10415
Upper QB ALA 47 - HB3 GLN 50 4.29 14 0.04 0.09 + +++++* ++ ++++ + peak 8306
Upper HE1 TRP 48 - H LEU 70 4.78 20 0.13 0.17 +++++++++*++++++++++ peak 9309
Upper HE1 TRP 48 - H ALA 73 4.56 17 0.05 0.10 +++++++* ++++ ++++ + peak 9308
Upper HE1 TRP 48 - QB ALA 73 3.43 18 0.04 0.07 +++++++++ ++++++*++ peak 9345
Upper HZ3 TRP 48 - HE3 LYS 52 4.14 18 0.05 0.21 +++*+++++ +++ ++++++ peak 9444
Upper HZ2 TRP 48 - HA LEU 70 4.97 6 0.02 0.08 *+ ++ ++ peak 9833
Upper HH2 TRP 48 - HD2 LYS 52 4.07 20 0.15 0.22 ++++++++++++*+++++++ peak 9429
Upper HA GLN 49 - HB2 LYS 52 4.94 15 0.06 0.13 ++++++++ ++* ++++ peak 1504
Upper HG2 GLN 49 - H GLN 50 4.34 6 0.02 0.12 + +* + ++ peak 6585
Upper HE21 GLN 49 - H ASP 53 4.55 8 0.02 0.06 + +* ++ ++ + peak 9363
Upper HA GLN 50 - HE21 GLN 50 5.33 20 0.12 0.27 +++++++++*++++++++++ peak 6600
Upper HA GLN 50 - HE22 GLN 50 4.81 20 0.08 0.15 ++++++*+++++++++++++ peak 6608
Upper HA LEU 51 - HB2 GLU 54 4.49 12 0.02 0.04 +++ + ++ *+ ++++ peak 1448
Upper QD1 LEU 51 - HG2 GLU 54 4.72 14 0.03 0.04 +++++++ +++ +++* peak 8346
Upper QD1 LEU 51 - QD2 LEU 55 2.80 10 0.02 0.08 *+++++++ + + peak 8071
Upper QD1 LEU 51 - HG LEU 70 3.92 20 0.09 0.12 +++++++++++*++++++++ peak 11286
Upper QD2 LEU 51 - QG2 VAL 69 2.93 15 0.05 0.09 ++++++++ +++ ++*+ peak 11169
Upper H LYS 52 - HD2 LYS 52 4.23 14 0.07 0.13 +++ ++*+ +++ ++++ peak 6649
Upper H LYS 52 - HD3 LYS 52 4.05 15 0.04 0.10 + +++ ++++++ + +++* peak 6650
Upper HG2 LYS 52 - QD1 LEU 70 4.21 7 0.02 0.08 +* + ++++ peak 10432
Upper HE2 LYS 52 - QD1 LEU 70 4.32 14 0.03 0.06 +++ ++++ +++ ++*+ peak 9442
Upper HE2 LYS 52 - QD2 LEU 70 5.07 9 0.02 0.05 +++ +* + +++ peak 9417
Upper HA ASP 53 - H ALA 57 4.01 15 0.04 0.09 ++++++++ ++* ++++ peak 6729
Upper HB3 ASP 53 - H GLU 54 3.66 12 0.03 0.06 +++++ *+ ++ + ++ peak 6683
Upper H GLU 54 - HG2 GLU 54 4.12 6 0.02 0.10 + ++ + +* peak 6687
Upper H GLU 54 - QB ALA 57 4.73 12 0.04 0.10 ++* ++ +++++++ peak 9532
Upper QD1 LEU 55 - QD1 ILE 61 4.76 9 0.02 0.10 +++ ++ ++ *+ peak 9511
Upper QD1 LEU 55 - QG1 VAL 69 3.20 16 0.06 0.11 ++++++ ++ +*+++++ + peak 8451
Upper QD2 LEU 55 - QD1 ILE 61 3.69 6 0.01 0.06 *++ + + + peak 8351
Upper HA GLU 56 - HD3 ARG 66 4.33 6 0.02 0.08 +++ + +* peak 9526
Upper H ALA 57 - HG2 LYS 58 4.69 16 0.06 0.13 + +++++++ +*++++++ peak 9539
Upper H LYS 58 - HD2 LYS 58 4.09 20 0.13 0.17 +++++++++++++++*++++ peak 6751
Upper H LYS 58 - QD1 ILE 61 4.13 20 0.16 0.24 ++++++++++++++*+++++ peak 9545
Upper HB3 LYS 58 - HD2 LYS 58 2.51 12 0.04 0.12 ++++ +++ ++++* peak 1807
Upper HB3 LYS 58 - H ILE 61 3.98 11 0.07 0.14 +++ + ++++++* peak 9618
Upper HD3 LYS 58 - HZ2 TRP 60 4.95 9 0.03 0.12 +++ ++ ++ *+ peak 9574
Upper HE2 LYS 58 - HZ2 TRP 60 5.07 13 0.02 0.05 +++ ++ ++*++++ + peak 9575
Upper HA TRP 60 - HE3 TRP 60 4.33 8 0.02 0.08 +++ + ++ *+ peak 1874
Upper HD1 TRP 60 - H ILE 61 4.37 20 0.14 0.24 +++++++++++++*++++++ peak 9578
Upper HD1 TRP 60 - HG12 ILE 61 5.78 9 0.04 0.11 +++ *+ ++ ++ peak 10914
Upper H ILE 61 - QG2 ILE 61 3.69 11 0.08 0.15 +++ + +++*+++ peak 1915
Upper H ILE 61 - QD1 ILE 61 3.06 11 0.03 0.07 +++ + ++*++++ peak 6804
Upper HB ILE 61 - QD1 ILE 61 3.11 11 0.06 0.12 +++ * +++++++ peak 1941
Upper QG2 ILE 61 - H ASP 65 4.51 11 0.04 0.09 *++ + +++++++ peak 8382
Upper QG2 ILE 61 - HA ASP 65 5.16 8 0.03 0.10 +++ ++ +* + peak 9627
Upper QG2 ILE 61 - HG2 ARG 66 4.46 20 0.11 0.18 ++++++++++++*+++++++ peak 9711
Upper QG2 ILE 61 - HG3 ARG 66 3.98 14 0.04 0.09 ++ ++++ +++++*++ peak 9713
Upper QD1 ILE 61 - H ALA 62 3.90 9 0.03 0.21 +++ ++ ++ *+ peak 6813
Upper H ALA 62 - H ASP 65 4.45 6 0.01 0.07 *++ + + + peak 9699
Upper HA ALA 62 - H ALA 64 4.76 20 0.06 0.16 ++++++++++++++++++*+ peak 9692
Upper QB ALA 62 - HB2 GLU 63 4.89 14 0.03 0.06 + ++++++ +++*+++ peak 9655
Upper QB ALA 62 - H ALA 64 3.35 17 0.06 0.09 ++++++++++ +++++*+ peak 10459
Upper QB ALA 62 - QB ALA 64 3.28 20 0.11 0.15 ++++++++*+++++++++++ peak 8409
Upper H GLU 63 - H ALA 64 3.16 10 0.02 0.06 ++ + +++*+++ peak 6826
Upper HA GLU 63 - QD1 ILE 67 3.93 9 0.02 0.09 ++* ++ ++ ++ peak 9750
Upper HB2 GLU 63 - QD1 ILE 67 4.93 20 0.08 0.15 ++++++++*+++++++++++ peak 10469
Upper HB3 GLU 63 - HG12 ILE 67 5.12 10 0.02 0.05 *++ +++++++ peak 9756
Upper HG2 GLU 63 - QG2 ILE 67 4.12 18 0.04 0.08 ++++++*+ ++++++++ ++ peak 8394
Upper H ALA 64 - H ARG 66 4.31 20 0.14 0.26 ++++++++++++++++++*+ peak 6852
Upper H ALA 64 - HB ILE 67 4.44 20 0.12 0.15 ++++++++++*+++++++++ peak 8411
Upper H ALA 64 - QD1 ILE 67 5.32 20 0.09 0.13 ++++++++*+++++++++++ peak 8441
Upper QB ALA 64 - H ARG 66 4.58 20 0.09 0.17 ++++++++++++++++++*+ peak 9694
Upper QB ALA 64 - QG2 ILE 67 4.48 10 0.02 0.04 + *++ + +++ ++ peak 8427
Upper QB ALA 64 - HD22 ASN 68 5.28 20 0.13 0.16 +++++++++++++++++*++ peak 9775
Upper H ARG 66 - QD1 ILE 67 4.37 19 0.05 0.12 ++*+++++++++++++++ + peak 9734
Upper HA ARG 66 - HB VAL 69 4.75 9 0.02 0.05 ++ +*+ ++++ peak 2175
Upper HA ARG 66 - QG1 VAL 69 3.57 6 0.01 0.02 + *+ + + + peak 8454
Upper HA ILE 67 - HG12 ILE 67 3.52 20 0.06 0.09 ++*+++++++++++++++++ peak 2117
Upper QG2 ILE 67 - HB2 ASN 71 4.80 20 0.04 0.07 +++++++++++++++++*++ peak 9855
Upper QD1 ILE 67 - QD2 LEU 70 4.88 18 0.05 0.08 +++++++++ +++++*+++ peak 10468
Upper H ASN 68 - HD21 ASN 68 5.20 20 0.08 0.11 +*++++++++++++++++++ peak 9778
Upper HA ASN 68 - HB2 ASN 71 3.86 18 0.05 0.11 ++++++++ ++++ ++++*+ peak 2255
Upper HD21 ASN 68 - QG2 VAL 69 4.72 14 0.03 0.07 +++++ + ++++++*+ peak 9772
Upper HD22 ASN 68 - HE21 GLN 72 4.24 13 0.02 0.05 *+ +++++++++ ++ peak 9785
Upper HA VAL 69 - H GLN 72 3.73 6 0.01 0.04 *+ + +++ peak 6987
Upper QG1 VAL 69 - H LEU 70 3.88 18 0.05 0.10 ++++ ++++++++++++*+ peak 6945
Upper H LEU 70 - QD1 LEU 70 3.58 13 0.03 0.08 ++ *++++ ++ ++++ peak 6951
Upper H LEU 70 - QD2 LEU 70 3.85 17 0.06 0.10 +++ +++++*++ ++ ++++ peak 2230
Upper HA ASN 71 - QG2 THR 74 3.89 18 0.07 0.10 + +++*+++ ++++++++++ peak 9854
Upper HA GLN 72 - HE21 GLN 72 5.65 16 0.03 0.05 +++ +++ ++++ +++++* peak 2277
Upper HB3 GLN 72 - H GLU 101 5.02 20 0.07 0.13 ++++++++++++*+++++++ peak 10491
Upper HA ALA 73 - QG1 VAL 76 4.24 19 0.08 0.11 +++++++++*++ +++++++ peak 9905
Upper QB ALA 73 - HB THR 74 4.29 13 0.03 0.07 + + +++ ++ +++ ++* peak 10494
Upper H THR 74 - QG2 THR 74 3.49 18 0.07 0.11 * +++++++ ++++++++++ peak 2345
Upper HB2 GLU 75 - HB VAL 76 4.64 15 0.04 0.07 ++ ++*+++ ++++ ++ + peak 9963
Upper HA VAL 76 - H TRP 80 3.85 16 0.04 0.07 +* +++ ++ +++++++++ peak 7152
Upper QG1 VAL 76 - HZ PHE 99 4.98 8 0.02 0.04 +++ +* + + + peak 10985
Upper QD2 LEU 83 - HA LYS 88 4.47 7 0.02 0.04 + *+ + + + + peak 10071
Upper HB3 PHE 99 - HD2 PRO 100 4.79 20 0.12 0.18 +++++++++++++*++++++ peak 10191
Upper QD PHE 99 - H GLU 101 4.61 13 0.04 0.09 ++++*+++++ ++ + peak 10182
Upper HG2 PRO 100 - H GLU 101 2.97 7 0.02 0.04 + + *++ + + peak 7258
Upper HG3 GLU 101 - QG2 VAL 102 3.92 20 0.06 0.07 ++*+++++++++++++++++ peak 10206
Upper HB VAL 103 - HA PHE 104 4.88 6 0.01 0.06 ++ + ++ * peak 10229
Upper HD21 ASN 108 - QD2 LEU 109 4.24 6 0.02 0.08 + + +++* peak 10739
VdW N ILE 11 - CG1 ILE 11 2.85 20 0.21 0.22 +++++++++++++*++++++
VdW N ILE 11 - HG13 ILE 11 2.45 20 0.23 0.25 +++++++++++++++++++*
VdW CG1 VAL 25 - C VAL 25 2.90 15 0.21 0.24 +++++++* +++ ++++
VdW CG2 ILE 28 - CD1 ILE 28 3.00 20 0.33 0.33 ++++++++++*+++++++++
VdW CG1 VAL 29 - N GLY 30 3.05 20 0.21 0.22 ++++*+++++++++++++++
VdW HA TRP 42 - C PRO 43 2.50 20 0.24 0.27 +++++++++++++++*++++
VdW CG TRP 42 - C TRP 42 2.90 20 0.25 0.25 +++++++++++++++++*++
VdW CD1 TRP 42 - C TRP 42 3.10 20 0.26 0.29 +++++++++++++++++*++
VdW O PRO 43 - C ARG 44 2.80 20 0.28 0.34 +++++++++++++++*++++
VdW HB2 LYS 58 - CG1 ILE 61 2.60 11 0.14 0.29 +++ * +++++++
VdW HB3 LYS 58 - CD1 TRP 60 2.60 11 0.18 0.24 +++ + +*+++++
VdW CG2 ILE 61 - C ILE 61 2.90 9 0.11 0.26 +*+ ++ ++ ++
VdW CG2 THR 74 - C THR 74 2.90 20 0.26 0.28 ++++++*+++++++++++++
Angle PSI SER 9 88.20 179.60 13 5.04 5.63 ++*+ +++ + ++++ +
Angle PSI ILE 11 106.60 165.30 20 5.77 6.21 +++++*++++++++++++++
197 violated distance restraints.
13 violated van der Waals restraints.
2 violated angle restraints.
RMSDs for residues 8..80:
Average backbone RMSD to mean : 0.17 +/- 0.04 A (0.13..0.26 A; 20 structures)
Average heavy atom RMSD to mean : 0.55 +/- 0.06 A (0.45..0.68 A; 20 structures)