Structural statistics:
str target upper limits van der Waals torsion angles
function # sum max # sum max # sum max
1 70.03 71 58.5 1.35 57 46.0 0.72 43 702.0 46.31
2 75.56 79 62.7 1.50 54 47.2 0.60 41 683.2 48.40
3 75.83 88 64.8 1.34 67 51.0 0.69 50 815.0 48.42
4 80.14 80 59.8 1.51 56 42.0 0.69 51 876.5 54.29
5 80.92 80 60.8 2.02 64 48.6 0.82 45 747.9 50.10
6 84.57 89 65.4 1.42 72 55.0 0.67 45 820.7 54.57
7 85.62 79 61.4 1.87 66 50.0 0.63 50 851.2 35.79
8 87.51 87 66.8 2.08 64 49.6 0.69 54 863.8 46.66
9 87.53 94 70.8 1.89 89 60.8 0.62 51 760.3 36.43
10 87.63 72 56.1 1.26 54 40.4 0.57 55 1064.9 49.15
11 88.90 83 68.2 1.43 89 59.6 0.80 43 711.9 62.45
12 90.46 72 61.3 1.89 63 47.2 0.72 55 980.9 46.72
13 90.89 91 68.4 1.66 77 55.7 0.76 50 828.4 35.42
14 91.16 82 64.5 1.60 67 52.3 0.69 61 933.8 54.80
15 93.04 81 65.7 2.13 72 52.5 0.54 55 890.0 48.49
16 93.19 83 68.4 1.62 77 51.7 0.73 50 848.0 42.71
17 93.69 84 69.9 1.95 65 52.4 0.50 46 785.8 64.83
18 93.85 80 63.1 1.51 60 49.5 0.47 47 872.5 73.37
19 94.54 106 74.9 1.55 95 62.5 0.73 46 726.3 43.36
20 94.72 86 66.2 1.77 101 64.7 0.74 47 748.5 42.55
Ave 86.99 83 64.9 1.67 70 51.9 0.67 49 825.6 49.24
+/- 6.96 8 4.4 0.26 13 6.2 0.09 5 95.1 9.40
Min 70.03 71 56.1 1.26 54 40.4 0.47 41 683.2 35.42
Max 94.72 106 74.9 2.13 101 64.7 0.82 61 1064.9 73.37
Constraints violated in 6 or more structures:
Cutoffs: Upper distance limits : 0.30 A
Lower distance limits : 0.20 A
Angle constraints : 5.00 deg
# mean max. 1 5 10 15 20
Upper QG1 VAL 47 - HE3 TRP 51 4.44 9 0.35 1.08 * ++++ + + ++ # peak 101 # SUP 1.60
QG2 VAL 47 - HE3 TRP 51 # SUP 1.94
Upper HA1 GLY 58 - QG2 VAL 62 4.95 10 0.34 0.90 + + +++*+ ++ + # peak 139 # SUP 2.07
Upper HA ASN 89 - QB ALA 103 4.06 15 0.69 1.55 +++ ++++ ++ + +++ *+ # peak 173 # SUP 4.45
Upper HA ASN 89 - QB ALA 103 4.16 12 0.41 0.94 ++ ++++ + + ++ *+ # peak 187 # SUP 4.45
QB ALA 103 - HA VAL 105 # SUP 1.25
Upper HA VAL 73 - HN VAL 94 3.76 15 0.71 1.42 ++ ++* + +++++ ++++ # peak 287 # SUP 6.75
HA VAL 73 - HN VAL 105 # SUP 1.00
Upper HA ASN 89 - QG1 VAL 94 4.95 9 0.38 1.11 +*+++++ + + # peak 294 # SUP 2.34
Upper HA VAL 73 - HB3 PRO 104 4.10 12 0.58 1.46 + ++ + ++*+++ ++ # peak 301 # SUP 0.75
HA VAL 73 - HB3 GLU- 75 # SUP 2.12
HA VAL 73 - HG2 PRO 104 # SUP 1.50
HA VAL 73 - HG2 GLN 102 # SUP 0.62
Upper QG2 VAL 87 - HA ASN 89 4.64 9 0.28 1.40 + + + ++ +* + + # peak 372 # SUP 7.55
HA VAL 73 - QG2 VAL 105 # SUP 0.50
HA ASN 89 - QG2 VAL 105 # SUP 2.15
Upper HA VAL 73 - HA VAL 94 3.71 15 0.75 1.36 ++++++ + +++++ +* + # peak 526 # SUP 4.37
HA ASN 89 - HA VAL 94 # SUP 1.87
Upper HB VAL 99 - QG2 ILE 100 3.81 9 0.29 0.74 + + + + *+ ++ + # peak 781 # SUP 0.94
HB3 MET 97 - QG2 ILE 100 # SUP 0.09
QG2 ILE 100 - HB3 MET 126 # SUP 0.02
Upper HG LEU 74 - QG2 ILE 101 4.21 11 0.37 1.15 ++ +++ +*+ + ++ # peak 789 # SUP 5.68
HB3 LEU 74 - QG2 ILE 101 # SUP 1.69
QG2 ILE 101 - QB ALA 103 # SUP 0.62
Upper HA LEU 43 - HB ILE 68 5.08 15 0.49 0.98 + ++ ++*++++++ + + + # peak 941 # SUP 2.49
Upper HA GLU- 56 - HA1 GLY 58 5.13 16 0.49 0.85 ++ +++ ++ +++++++*+ # peak 972 # SUP 3.21
Upper QD1 ILE 29 - HE3 TRP 51 5.04 6 0.21 1.03 + + * + + + # peak 977 # SUP 1.59
Upper HA SER 85 - HB2 PRO 86 3.95 17 0.46 0.55 +++ +++ ++ ++++++++* # peak 991 # SUP 4.26
HA SER 85 - HB3 PRO 86 # SUP 4.82
HA GLU- 56 - HA1 GLY 58 # SUP 3.21
Upper HA GLU- 18 - HG LEU 74 4.47 13 0.39 0.78 ++++*++ ++++ + + # peak 1096 # SUP 3.65
HA GLU- 18 - QD1 ILE 68 # SUP 0.19
HA GLU- 18 - QG2 ILE 101 # SUP 0.59
Upper QD1 ILE 68 - HB2 HIS+ 98 5.09 6 0.18 0.74 +++ +* + # peak 1113 # SUP 1.31
Upper QD1 ILE 19 - HB3 MET 97 3.60 17 0.68 1.23 ++++++++ +++++ ++*+ # peak 1114 # SUP 2.29
Upper HG LEU 74 - QD1 ILE 101 4.26 14 0.50 1.29 ++ + +++++++ ++* + # peak 1273 # SUP 5.23
HB3 LEU 74 - QD1 ILE 101 # SUP 1.56
Upper HD2 PRO 86 - HA ASN 89 3.89 9 0.28 0.85 + + ++ + + + *+ # peak 1283 # SUP 3.46
HD3 PRO 86 - HA ASN 89 # SUP 3.57
Upper HD3 PRO 86 - HA ASN 89 3.84 13 0.47 1.10 + + + ++ ++ ++++*+ # peak 1287 # SUP 3.57
Upper HA ASN 89 - HD3 PRO 104 3.31 7 0.27 1.01 + ++ + + *+ # peak 1325 # SUP 4.96
Upper HB3 LEU 67 - HB ILE 68 4.51 9 0.30 0.82 + +++ + +++* # peak 1365 # SUP 4.52
Upper HA2 GLY 26 - HA ILE 48 4.05 15 0.47 1.09 +++++ + ++++ *++++ # peak 1389 # SUP 0.75
HA1 GLY 26 - HA ILE 48 # SUP 1.35
Upper HB2 LEU 17 - HB3 GLU- 18 3.89 7 0.28 0.81 + * ++ + ++ # peak 1396 # SUP 3.67
Upper QD1 ILE 19 - HE2 LYS+ 20 5.05 6 0.17 0.62 + *+ + + + # peak 1670 # SUP 1.97
HG12 ILE 19 - HE2 LYS+ 20 # SUP 2.97
HE2 LYS+ 20 - QG2 ILE 101 # SUP 0.18
HE2 LYS+ 20 - QG2 VAL 94 # SUP 0.11
Upper HB ILE 29 - HB ILE 48 4.59 6 0.19 0.61 + + + + * + # peak 1723 # SUP 1.87
Upper HG2 GLU- 18 - HA ASN 89 4.97 12 0.34 0.95 +++ + * ++ ++ ++ + # peak 1818 # SUP 4.54
HG2 GLU- 18 - HA MET 97 # SUP 1.50
Upper HG3 GLU- 56 - HA1 GLY 58 3.82 7 0.24 0.78 *+ ++ + + + # peak 1820 # SUP 4.56
HG3 GLU- 45 - HG3 GLU- 56 # SUP 0.55
HG2 GLU- 45 - HG3 GLU- 56 # SUP 0.43
Upper HB3 PRO 31 - HB2 LEU 43 3.32 7 0.30 1.24 + + + * + + + # peak 1894 # SUP 0.60
Upper HA VAL 73 - HB3 MET 97 5.17 9 0.26 0.61 +++ +* ++ + + # peak 1912 # SUP 2.32
HB3 MET 97 - HA VAL 99 # SUP 0.75
HA ASN 89 - HB3 MET 97 # SUP 0.39
HB3 MET 97 - HA ILE 100 # SUP 0.50
Upper HB3 LYS+ 72 - HN VAL 94 4.42 8 0.28 1.38 +++ *+ ++ + # peak 1924 # SUP 0.02
HB3 LYS+ 72 - HN VAL 105 # SUP 0.02
HB3 LYS+ 72 - HN LYS+ 117 # SUP 0.02
HN LEU 67 - HB3 LYS+ 72 # SUP 0.02
Upper HA ASN 89 - HG2 GLN 102 5.10 6 0.18 0.94 + + + ++ * # peak 1927 # SUP 2.60
Upper HG LEU 74 - HG2 GLN 102 4.14 11 0.34 1.20 +++ ++ ++ +++* # peak 1933 # SUP 2.82
Upper HA ASN 89 - HG3 GLN 102 4.93 7 0.28 0.68 + * ++ + ++ # peak 1940 # SUP 4.50
Upper HB3 GLN 102 - HG3 MET 126 3.54 7 0.21 0.54 *++ + + ++ # peak 1949 # SUP 0.02
HB3 GLN 102 - HG2 MET 126 # SUP 0.02
HG2 GLU- 18 - HG3 MET 126 # SUP 0.02
HG2 PRO 112 - HB2 LYS+ 113 # SUP 0.02
Upper HA ASN 89 - HB2 PRO 104 5.16 8 0.30 1.00 + + * + + +++ # peak 2033 # SUP 6.01
HD2 PRO 112 - HB3 MET 118 # SUP 0.10
Upper HA VAL 73 - HB3 PRO 104 4.07 9 0.38 1.19 + + + + * + + ++ # peak 2066 # SUP 0.75
HA ASN 89 - HB3 PRO 104 # SUP 5.03
Upper HA ASN 89 - HB2 PRO 104 5.21 9 0.34 0.96 + + * + + ++++ # peak 2071 # SUP 6.01
Upper HB3 GLU- 18 - HG LEU 74 4.54 11 0.32 0.89 + +++ + +++ ++* # peak 2148 # SUP 3.47
Upper HA ASN 89 - HB3 GLN 102 3.80 9 0.29 0.96 + + *++++ + + # peak 2181 # SUP 5.50
HA GLU- 18 - HB3 GLN 102 # SUP 2.34
Upper HB3 GLU- 107 - HB2 LYS+ 108 2.40 16 0.52 0.75 + ++ ++ ++++* ++++++ # peak 2222 # SUP 2.03
HB3 GLU- 107 - HB3 GLU- 109 # SUP 0.50
Upper HG2 GLU- 45 - HB2 GLU- 50 4.85 11 0.36 0.77 +++ +++ + * ++ + # peak 2315 # SUP 2.94
HG3 GLU- 45 - HB2 GLU- 50 # SUP 2.83
Upper HB2 GLU- 45 - HB2 GLU- 50 3.96 7 0.32 1.22 * + ++++ + # peak 2325 # SUP 3.71
HB3 GLU- 45 - HB2 GLU- 50 # SUP 4.77
Upper HG13 ILE 68 - HB3 MET 97 4.87 9 0.29 0.84 ++ + + ++++* # peak 2466 # SUP 1.76
HB2 LEU 67 - HG13 ILE 68 # SUP 3.97
HB2 LEU 67 - HG12 ILE 68 # SUP 3.08
HG12 ILE 68 - HB3 MET 97 # SUP 1.27
Upper HG12 ILE 19 - HB3 MET 97 4.20 12 0.64 1.66 ++++ ++ ++ *+ + + # peak 2495 # SUP 0.02
HG12 ILE 19 - HB VAL 99 # SUP 0.02
HG12 ILE 19 - HD3 LYS+ 55 # SUP 0.02
HG12 ILE 19 - HB3 MET 126 # SUP 0.02
Upper HB3 LYS+ 72 - HG LEU 74 4.46 8 0.21 0.96 + + + + ++ +* # peak 2569 # SUP 1.94
HG LEU 74 - HB2 PRO 104 # SUP 3.83
HG LEU 90 - HB2 PRO 104 # SUP 0.75
HB VAL 73 - HG LEU 74 # SUP 3.13
Upper HA1 GLY 30 - HG3 PRO 31 4.56 9 0.34 1.31 ++ + * ++ ++ + # peak 2696 # SUP 2.84
Upper HG2 LYS+ 20 - HG13 ILE 100 2.89 11 0.43 1.06 + + ++ + + *+ +++ # peak 2783 # SUP 2.42
HG2 LYS+ 20 - HG LEU 74 # SUP 2.64
Upper QG1 VAL 99 - QG2 ILE 101 3.93 14 0.52 1.53 ++ +++ ++ + + +*+ ++ # peak 3020 # SUP 1.24
QD1 ILE 68 - QG1 VAL 99 # SUP 0.62
HG LEU 74 - QG1 VAL 99 # SUP 1.61
Upper QG1 VAL 99 - QD1 ILE 101 4.01 12 0.32 0.70 *+ ++ + +++++ ++ # peak 3024 # SUP 1.32
Upper HB3 GLU- 75 - QG2 ILE 101 4.01 11 0.30 0.85 ++ +++ + ++ + *+ # peak 3304 # SUP 5.40
Upper HG3 MET 97 - QD1 ILE 100 5.40 6 0.20 0.99 ++ + * + + # peak 3310 # SUP 0.75
Upper HG13 ILE 19 - HA ASN 89 5.50 13 0.49 1.22 ++ + + +++ ++ + ++* # peak 3475 # SUP 3.06
HG13 ILE 19 - HB2 SER 88 # SUP 0.77
HG13 ILE 19 - HA VAL 73 # SUP 0.41
Upper QE PHE 21 - QD2 LEU 67 5.50 6 0.24 1.22 * + + + ++ # peak 3484 # SUP 1.17
Upper HA LYS+ 44 - QD1 LEU 67 5.50 8 0.28 0.79 * ++ ++ +++ # peak 3487 # SUP 1.77
HA LYS+ 44 - HG13 ILE 68 # SUP 1.66
HA LYS+ 44 - HG12 ILE 68 # SUP 1.30
Upper HG3 LYS+ 20 - HB2 HIS+ 98 5.50 7 0.29 0.77 ++ + ++ *+ # peak 3538 # SUP 2.67
HB3 LYS+ 20 - HB2 HIS+ 98 # SUP 3.23
HB2 LYS+ 20 - HB2 HIS+ 98 # SUP 3.16
HG3 ARG+ 22 - HB2 HIS+ 98 # SUP 0.40
Upper HN GLU- 75 - HB2 PRO 104 5.31 7 0.35 1.89 + ++ *++ + # peak 3573 # SUP 2.12
HN LEU 74 - HB2 PRO 104 # SUP 2.56
Upper HB3 LYS+ 20 - HB ILE 29 5.41 10 0.59 1.77 ++ ++ + ++ ++ * # peak 3637 # SUP 2.50
HB3 LYS+ 20 - HG3 PRO 31 # SUP 1.77
HB2 LYS+ 20 - HB ILE 29 # SUP 2.75
HB2 LYS+ 20 - HG3 PRO 31 # SUP 1.34
Upper HA LYS+ 44 - HG3 GLU- 45 5.28 6 0.20 0.51 + + + + +* # peak 3645 # SUP 4.37
HA LYS+ 44 - HG2 GLU- 45 # SUP 4.51
Upper HG13 ILE 19 - HB3 PRO 31 5.37 9 0.27 0.91 + ++ +* ++ ++ # peak 3663 # SUP 2.61
HB3 LYS+ 20 - HB3 PRO 31 # SUP 2.79
HG3 LYS+ 20 - HB3 PRO 31 # SUP 0.99
HB2 LYS+ 20 - HB3 PRO 31 # SUP 2.12
Upper QE PHE 21 - HB ILE 68 5.50 6 0.16 0.70 + + + + + * # peak 3696 # SUP 3.61
Upper HA ASN 89 - HD2 PRO 104 2.42 6 0.24 0.91 + ++ + *+ # peak 3765 # SUP 4.97
Upper QD1 ILE 19 - HB3 PHE 34 5.50 10 0.27 0.93 + + + + ++ +*++ # peak 3792 # SUP 1.57
QD1 ILE 19 - HA ASN 89 # SUP 2.69
QD1 ILE 19 - HD3 PRO 35 # SUP 0.72
HB3 PHE 34 - QD1 ILE 68 # SUP 0.23
Upper QD1 ILE 68 - HB3 MET 97 3.79 8 0.27 0.93 + *+++ +++ # peak 3797 # SUP 2.96
HB2 LEU 67 - QD1 ILE 68 # SUP 4.49
Upper QB ALA 70 - HN LYS+ 72 5.50 8 0.24 0.85 ++ + *+ ++ + # peak 3812 # SUP 1.90
Upper HD3 PRO 31 - QD1 LEU 43 5.50 13 0.41 1.17 +++ + + +++++++* # peak 3830 # SUP 1.88
HA1 GLY 30 - QD1 LEU 43 # SUP 0.74
Upper HA VAL 73 - HB3 GLU- 75 4.98 6 0.25 1.32 + +++* + # peak 3884 # SUP 2.12
HA VAL 73 - HG3 PRO 104 # SUP 0.75
HB2 GLU- 18 - HA VAL 73 # SUP 1.91
Upper QD1 ILE 19 - QE PHE 34 4.26 7 0.24 0.75 ++ + ++ +* # peak 318 # SUP 3.42
HG12 ILE 19 - QE PHE 34 # SUP 2.10
Upper HZ2 TRP 51 - HB3 LYS+ 55 4.86 11 0.35 0.85 ++ +++++ +* ++ # peak 527 # SUP 1.92
Upper HA TRP 51 - HE3 TRP 51 4.61 6 0.21 0.53 + ++* + + # peak 532 # SUP 2.94
Upper HB3 SER 77 - QE TYR 83 4.54 6 0.17 0.61 +++ * ++ # peak 546 # SUP 0.71
HA LEU 74 - QE TYR 83 # SUP 1.74
Upper HA TYR 83 - QE TYR 83 4.72 16 0.64 0.92 +++ +++ +++++* +++ + # peak 547 # SUP 0.02
QE TYR 83 - HA ASN 89 # SUP 0.02
Upper QD TYR 83 - HG3 ARG+ 84 4.42 6 0.23 0.96 + + + +* + # peak 551 # SUP 2.91
Upper QD2 LEU 74 - QD TYR 83 4.72 8 0.27 0.97 ++ + +*+ + + # peak 553 # SUP 2.00
Upper QG2 ILE 19 - QE PHE 34 4.56 12 0.38 1.25 + + +++++ + ++ +* # peak 561 # SUP 1.60
Upper HA ASN 89 - HN GLN 102 4.69 13 0.59 1.51 ++ ++ + + +++++ +* # peak 45 # SUP 3.13
HA GLU- 18 - HN GLN 102 # SUP 1.10
HA GLU- 75 - HN GLN 102 # SUP 0.97
Upper HA VAL 73 - HN THR 95 4.11 9 0.33 1.13 + + ++ + ++ + * # peak 97 # SUP 6.64
HA ASN 89 - HN THR 95 # SUP 2.73
Upper HB ILE 19 - HN THR 96 4.54 7 0.20 0.76 +++++ +* # peak 162 # SUP 4.33
HG LEU 17 - HN THR 96 # SUP 0.71
Upper HB2 GLU- 18 - HN THR 96 5.21 13 0.47 1.62 ++++ + + ++++* + + # peak 168 # SUP 0.02
HB3 PRO 31 - HN THR 96 # SUP 0.02
HB3 GLU- 75 - HN THR 96 # SUP 0.02
Upper HN TRP 51 - HD2 PRO 52 3.68 13 0.35 0.70 * +++ ++++ + ++++ # peak 170 # SUP 3.07
HA ILE 48 - HN TRP 51 # SUP 1.68
Upper HN THR 96 - HB3 MET 97 5.11 15 0.73 1.60 ++++++++ +++ * + ++ # peak 191 # SUP 3.13
Upper HG2 GLU- 18 - HN THR 96 4.43 10 0.45 1.36 ++ + + ++ +* ++ # peak 211 # SUP 2.92
Upper HN GLU- 56 - HA1 GLY 58 4.43 7 0.26 1.11 ++ * + + ++ # peak 228 # SUP 2.19
Upper QB ALA 91 - HN ALA 93 3.48 7 0.38 1.26 + + * + +++ # peak 290 # SUP 2.78
Upper HA ASN 89 - HN ALA 93 4.83 6 0.22 0.87 + * ++ ++ # peak 296 # SUP 1.77
HA VAL 73 - HN ALA 93 # SUP 1.57
Upper HN LEU 90 - HG2 LYS+ 110 3.53 8 0.31 1.14 + + *++ + + + # peak 491 # SUP 0.96
HB3 LEU 17 - HN LEU 90 # SUP 0.30
HN LEU 90 - HG3 LYS+ 110 # SUP 0.16
Upper HG LEU 74 - HN VAL 94 4.10 13 0.56 1.11 + ++++ ++ +++ *+ + # peak 506 # SUP 2.68
QB ALA 91 - HN VAL 94 # SUP 0.75
HG13 ILE 19 - HN VAL 94 # SUP 0.36
Upper HA VAL 73 - HN VAL 94 3.19 13 0.64 1.48 ++ ++ * +++++ ++ + # peak 507 # SUP 6.75
HA ASN 89 - HN VAL 94 # SUP 2.30
Upper HD3 LYS+ 72 - HN VAL 94 3.85 6 0.25 1.28 ++ +*++ # peak 510 # SUP 2.07
HB VAL 73 - HN VAL 94 # SUP 3.21
HB3 GLU- 18 - HN VAL 94 # SUP 0.96
Upper HA VAL 73 - HN VAL 94 3.20 13 0.54 1.11 ++ ++ + *++++ ++ + # peak 555 # SUP 6.75
HA ASN 89 - HN VAL 105 # SUP 3.34
HA ASN 89 - HN VAL 94 # SUP 2.30
HA VAL 73 - HN VAL 105 # SUP 1.00
Upper HN SER 85 - HA ASN 89 5.17 10 0.37 0.82 +++ + ++ + +* + # peak 589 # SUP 2.48
HA TYR 83 - HN SER 85 # SUP 1.30
Upper HN LYS+ 81 - HG3 ARG+ 84 4.29 7 0.21 0.56 ++ *+ + + + # peak 707 # SUP 1.87
Upper HN GLU- 45 - QG2 VAL 62 4.05 11 0.41 0.93 * +++++ + ++++ # peak 750 # SUP 1.92
Upper HG LEU 43 - HN GLU- 45 4.52 12 0.38 1.05 ++ + + +++ ++++* # peak 752 # SUP 1.33
HN GLU- 45 - HB3 LEU 67 # SUP 0.85
Upper HN LYS+ 44 - HB3 LEU 67 4.44 12 0.35 0.76 + ++ +++ *++ + ++ # peak 780 # SUP 2.51
Upper HN THR 39 - HG LEU 43 4.18 9 0.33 1.15 + ++ *++++ + # peak 807 # SUP 0.75
Upper HN SER 27 - HA ILE 48 4.29 15 0.54 1.21 + *++++++ ++++ +++ # peak 817 # SUP 1.05
Upper HA2 GLY 26 - HN ASP- 28 3.54 14 0.41 0.68 * ++ ++ + ++++ ++++ # peak 824 # SUP 1.61
HA1 GLY 26 - HN ASP- 28 # SUP 2.27
Upper HN VAL 87 - HB2 SER 88 3.99 15 0.41 0.65 ++ ++++++ ++ + * +++ # peak 871 # SUP 3.53
HN VAL 87 - HA ASN 89 # SUP 5.12
Upper HN SER 41 - HA ALA 42 4.46 19 0.45 1.04 +++++++*++++ +++++++ # peak 934 # SUP 1.31
Upper HN ASN 57 - HA1 GLY 58 4.51 17 0.46 0.84 +++++++++ ++ +*++++ # peak 942 # SUP 4.01
Upper HZ2 TRP 51 - HG3 LYS+ 55 4.06 6 0.22 1.09 + + +* ++ # peak 950 # SUP 2.00
HN ILE 48 - HG3 LYS+ 55 # SUP 0.61
Upper HA ASN 89 - HN GLY 92 5.43 16 0.61 1.22 ++* ++ ++++ ++++++ + # peak 1023 # SUP 2.13
Upper HN THR 61 - HG2 GLU- 64 4.66 7 0.31 1.34 +* + + ++ + # peak 1039 # SUP 0.62
HN THR 61 - HB VAL 62 # SUP 2.63
Upper QD1 ILE 48 - HN THR 61 4.68 8 0.19 0.74 * ++ + + + ++ # peak 1044 # SUP 2.62
HG13 ILE 48 - HN THR 61 # SUP 0.75
HG12 ILE 48 - HN THR 61 # SUP 1.00
Upper HN GLY 71 - QG2 VAL 94 4.09 16 0.41 0.86 +++++ ++*+ +++++ ++ # peak 1074 # SUP 1.79
QD1 ILE 19 - HN GLY 71 # SUP 0.53
HG12 ILE 19 - HN GLY 71 # SUP 0.36
Upper HD3 PRO 31 - HN LYS+ 32 4.96 8 0.31 0.45 + + +++*+ + # peak 1102 # SUP 2.86
HA1 GLY 30 - HN LYS+ 32 # SUP 2.77
Upper HN PHE 21 - HB ILE 29 4.85 11 0.76 2.02 ++ *+ + + ++ ++ + # peak 1144 # SUP 4.83
Upper HN LYS+ 20 - HA2 GLY 30 4.57 9 0.26 0.71 + ++* + + + ++ # peak 1163 # SUP 1.83
Upper HN VAL 47 - HA ILE 48 4.67 16 0.38 0.67 ++ ++++++ +++ ++*++ # peak 1170 # SUP 4.77
Upper HN ILE 19 - HA2 GLY 30 5.50 11 0.35 0.81 * + ++++ + + ++ + # peak 1175 # SUP 1.09
HN ILE 19 - HA ASN 89 # SUP 3.21
HN ILE 19 - HA PRO 31 # SUP 0.48
Upper HN ILE 19 - HA ASN 89 4.87 16 0.85 1.95 ++++++++ ++ +++*+ + # peak 1176 # SUP 3.21
HN ILE 19 - HB3 SER 88 # SUP 0.75
Angle PHI ILE 19 239.00 273.00 10 5.98 15.01 +++ + *++++ +
Angle PSI ILE 19 124.00 144.00 17 15.55 30.92 + ++ ++++++++++* +++
Angle PHI LYS+ 20 204.00 242.00 14 16.46 35.76 + ++ +*+ + + +++++ +
Angle PSI LYS+ 20 128.00 162.00 16 8.45 18.25 +++++ +++ ++++ +++*
Angle PHI PHE 21 237.00 261.00 9 5.25 19.60 ++ ++++++ *
Angle PSI PHE 21 106.00 132.00 11 7.18 24.52 + + + +* ++++++
Angle PHI ASP- 28 210.00 256.00 10 6.48 20.06 * + + +++++ + +
Angle PSI ASP- 28 127.00 157.00 11 5.32 11.76 + +* ++ ++++++
Angle PHI ILE 29 214.00 268.00 7 6.26 22.46 + + * + + + +
Angle PSI PRO 31 128.00 150.00 6 3.90 14.39 + *+ + + +
Angle PHI LYS+ 32 205.00 253.00 8 5.13 15.71 + + +* + +++
Angle PSI LYS+ 32 137.00 157.00 16 10.88 18.77 ++++ +*++++++++ ++
Angle PHI ALA 33 246.00 278.00 15 10.74 19.76 +*+ +++++++++++ +
Angle PSI ALA 33 120.00 148.00 6 3.78 13.99 + + + + * +
Angle PHI VAL 40 282.00 302.00 11 4.94 11.57 +++++ + + ++* +
Angle PHI SER 41 281.00 301.00 17 10.50 32.02 ++++ ++*++++++++ ++
Angle PSI SER 41 309.00 329.00 7 4.15 14.98 +++ + + * +
Angle PHI ALA 42 282.00 302.00 8 4.31 10.79 + + * +++ ++
Angle PSI ALA 42 314.00 334.00 13 6.24 20.76 +++ ++ *+++++ ++
Angle PHI LEU 43 283.00 303.00 10 5.64 14.53 +++ +*++ ++ +
Angle PSI LEU 43 314.00 338.00 7 3.69 11.44 * + + ++ ++
Angle PHI GLU- 45 283.00 303.00 14 8.80 17.13 +++ ++ *++++++++
Angle PSI GLU- 45 311.00 337.00 11 7.21 26.96 +++ +++ + + * ++
Angle PHI THR 46 286.00 306.00 14 6.96 16.10 + ++++ ++++*++ ++
Angle PSI THR 46 307.00 333.00 12 6.48 24.25 + ++++ + ++ * +++
Angle PHI VAL 47 286.00 306.00 17 15.13 48.49 ++++++ ++++ ++*++ ++
Angle PSI VAL 47 304.00 324.00 16 11.16 28.22 + ++++ +++*++ +++++
Angle PHI ILE 48 291.00 311.00 16 12.24 22.44 + +++*+ + +++++++++
Angle PSI ILE 48 308.00 328.00 15 9.50 33.49 ++ ++ ++ *+ +++ ++++
Angle PSI TRP 51 110.00 138.00 13 9.95 24.12 +++ + ++ * +++ + ++
Angle PSI ARG+ 53 314.00 334.00 20 20.67 40.86 +++++++++*++++++++++
Angle PHI GLU- 54 256.00 286.00 20 14.98 34.15 +++++++++*++++++++++
Angle PSI GLU- 54 331.00 13.00 9 8.89 30.64 + ++ *+ + ++ +
Angle PHI THR 61 232.00 276.00 10 6.06 14.01 + + + ++ + *++ +
Angle PSI THR 61 147.00 175.00 12 9.11 32.37 + + ++ ++ *++++ +
Angle PHI VAL 62 289.00 309.00 13 8.01 22.24 ++ ++++ *++++ ++
Angle PSI VAL 65 92.00 130.00 13 7.84 19.24 ++ +++ + ++ ++ ++ *
Angle PHI LYS+ 66 235.00 281.00 15 8.35 19.93 ++ +++++ ++ ++ +++*
Angle PSI LYS+ 66 118.00 152.00 9 4.00 9.99 + + + *+++++
Angle PHI LEU 67 223.00 259.00 8 5.33 13.09 ++ +++*+ +
Angle PSI LEU 67 135.00 155.00 16 13.48 22.49 + ++ +++++++++++ *+
Angle PHI ILE 68 227.00 253.00 12 7.03 18.32 + ++ *++++ + ++ +
Angle PSI SER 69 110.00 134.00 6 2.78 11.32 + +++* +
Angle PSI LYS+ 72 116.00 150.00 7 5.28 21.28 ++ + + +* +
Angle PHI VAL 73 244.00 278.00 15 13.16 27.19 +++++ +++*+++++ +
Angle PSI VAL 73 107.00 137.00 9 6.91 29.63 ++ +*+++ + +
Angle PHI SER 85 256.00 276.00 8 4.15 16.61 +++ + * +++
Angle PHI LEU 90 254.00 298.00 11 5.82 18.55 + ++ + ++++ +* +
Angle PHI GLY 92 77.00 97.00 10 6.29 18.28 *++ +++ + +++
Angle PSI GLY 92 349.00 11.00 11 6.31 18.09 + ++ * + + + ++++
Angle PHI ALA 93 251.00 297.00 11 8.70 23.37 +*++ ++ + ++ ++
Angle PSI ALA 93 109.00 151.00 13 14.86 42.55 ++ + ++++ ++++ +*
Angle PHI VAL 94 245.00 279.00 11 8.12 31.75 +++ ++ ++*+ + +
Angle PSI VAL 94 119.00 147.00 18 16.26 37.23 +++++++* ++++++++ ++
Angle PHI THR 95 219.00 273.00 8 7.38 24.68 ++ +*+ ++ +
Angle PSI THR 95 113.00 139.00 17 16.28 34.32 + +++++ +*+++++++++
Angle PHI THR 96 246.00 294.00 16 18.95 36.39 ++ +++++ ++++++++*
Angle PSI THR 96 116.00 146.00 14 22.45 73.37 +++ + ++++ ++++*+
Angle PHI MET 97 248.00 292.00 17 25.09 67.03 ++++ ++++ ++++++*++
Angle PSI MET 97 120.00 166.00 13 19.74 62.45 ++ ++++ *++ ++ + +
Angle PHI HIS+ 98 248.00 288.00 18 20.11 40.15 +++++++* ++++++++ ++
Angle PSI HIS+ 98 121.00 149.00 20 39.52 64.83 ++++++++++++++++*+++
Angle PHI VAL 99 242.00 268.00 20 31.25 50.10 ++++*+++++++++++++++
Angle PSI VAL 99 121.00 143.00 17 12.82 36.17 ++++++ +++ +++ ++*++
Angle PHI ILE 100 227.00 273.00 16 12.07 29.62 ++ +++ ++++ +++ *+++
Angle PSI ILE 100 113.00 143.00 19 18.21 33.61 ++++++++++++*++++ ++
Angle PHI ILE 101 252.00 274.00 11 9.36 37.37 + + + *++++++ +
Angle PSI ILE 101 107.00 131.00 7 13.92 54.80 ++ + + + * +
Angle PHI GLN 102 231.00 287.00 13 13.79 43.36 +++ + +++ + +++*+
Angle PSI GLN 102 122.00 152.00 15 13.92 39.03 ++ + + ++++++*++ + +
113 violated distance constraints.
70 violated angle constraints.
RMSDs for residues 20..108:
Average backbone RMSD to mean : 3.70 +/- 1.14 A (2.26..5.86 A)
Average heavy atom RMSD to mean : 4.35 +/- 1.16 A (2.98..6.64 A)