Structural statistics:
str target upper limits van der Waals torsion angles
function # sum max # sum max # sum max
1 38.37 80 71.3 1.46 11 19.8 0.38 20 332.6 22.61
2 39.55 88 72.0 1.37 17 20.8 0.37 23 351.1 28.03
3 40.07 89 76.4 1.35 22 21.0 0.33 18 340.9 23.46
4 41.16 86 75.6 1.17 18 24.3 0.36 16 266.9 17.97
5 44.80 91 77.6 1.38 22 24.3 0.39 22 420.2 23.50
6 46.41 102 82.4 1.20 21 23.9 0.40 26 360.3 27.07
7 46.71 95 76.5 1.82 14 23.7 0.33 32 510.4 26.83
8 47.44 100 80.2 1.34 23 27.5 0.49 29 395.4 22.10
9 48.53 100 84.0 1.29 29 27.0 0.56 30 426.2 24.12
10 48.69 93 80.3 1.37 23 26.8 0.38 30 469.1 26.02
11 49.49 94 78.6 1.41 28 27.2 0.40 33 431.3 23.41
12 49.64 96 80.0 1.35 19 25.8 0.45 30 492.7 26.02
13 49.84 99 79.0 1.19 21 27.0 0.60 37 488.1 20.03
14 50.29 97 79.9 1.07 29 29.0 0.51 30 461.8 26.01
15 50.38 93 76.5 1.23 36 27.4 0.49 33 541.4 35.58
16 53.14 105 83.6 1.13 31 33.1 0.58 31 445.1 24.62
17 53.55 102 82.7 1.26 32 30.7 0.59 27 435.2 28.52
18 54.07 104 86.7 1.24 24 26.4 0.36 30 454.9 30.13
19 54.65 104 82.5 1.83 20 30.2 0.43 30 519.9 28.29
20 57.07 100 78.9 1.30 21 26.3 0.47 34 628.9 57.43
Ave 48.19 96 79.2 1.34 23 26.1 0.44 28 438.6 27.09
+/- 5.14 7 3.8 0.19 6 3.3 0.09 5 81.3 7.88
Min 38.37 80 71.3 1.07 11 19.8 0.33 16 266.9 17.97
Max 57.07 105 86.7 1.83 36 33.1 0.60 37 628.9 57.43
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 HA GLU- 25 - HD21 ASN 28 4.19 12 0.36 0.83 ++++++++ *+ ++ # peak 318 # SUP 1.41
Upper HA GLU- 25 - HN THR 26 2.93 20 0.69 0.71 ++++++*+++++++++++++ # peak 323 # SUP 5.16
Upper HN ILE 56 - HN ALA 57 3.19 7 0.33 1.41 + *+ + ++ + # peak 403 # SUP 4.51
Upper HN LEU 80 - HN LYS+ 81 3.77 6 0.21 0.67 * + + + ++ # peak 465 # SUP 4.76
Upper HN PHE 95 - HN VAL 107 3.82 13 0.50 1.12 ++++++*++++ + + # peak 509 # SUP 2.00
Upper HN ILE 103 - HN LEU 104 4.29 9 0.27 0.37 + +++ +*+ ++ # peak 535 # SUP 5.85
Upper HN LYS+ 111 - HN LYS+ 112 3.95 8 0.30 0.67 + + * + ++ + + # peak 556 # SUP 4.98
Upper HA ALA 110 - HN LYS+ 111 2.86 11 0.37 0.77 *++++ ++++ + + # peak 559 # SUP 2.60
Upper HN LYS+ 121 - QD1 LEU 123 4.03 16 0.29 0.38 +++ ++++++ +++ ++*+ # peak 612 # SUP 2.20
Upper HG3 GLN 116 - HN SER 117 4.02 8 0.21 0.80 * + +++ ++ + # peak 617 # SUP 4.94
Upper HB2 GLN 116 - HN SER 117 3.19 9 0.32 0.81 + +++ ++ * + + # peak 618 # SUP 4.61
Upper HN LYS+ 112 - HG3 LYS+ 112 3.30 8 0.22 0.57 + + ++ ++ + * # peak 682 # SUP 5.83
Upper HN LEU 98 - HG12 ILE 103 3.91 16 0.40 0.59 ++ ++ +++++* ++++++ # peak 708 # SUP 2.12
HN LEU 98 - HB ILE 103 # SUP 1.80
HN LEU 98 - HB3 ASP- 105 # SUP 1.64
Upper HB3 PHE 72 - HN VAL 75 4.38 20 0.91 1.23 ++++++++++++++*+++++ # peak 829 # SUP 0.96
Upper HG LEU 73 - HN VAL 75 4.24 8 0.33 1.12 ++ + +*+ ++ # peak 830 # SUP 1.62
QB ALA 61 - HN VAL 75 # SUP 0.02
Upper QB ALA 64 - HN LEU 73 4.51 15 0.44 1.24 +++++ +++ + + ++ *++ # peak 845 # SUP 1.89
Upper HN LEU 67 - HD2 PRO 68 4.46 10 0.27 0.56 ++ + + ++ + + *+ # peak 872 # SUP 4.00
Upper HN LYS+ 65 - HG LEU 67 3.64 12 0.42 0.82 * +++++ + ++ + + + # peak 888 # SUP 2.41
Upper HB3 PRO 58 - HN PHE 59 3.72 7 0.14 0.47 + + ++ *++ # peak 925 # SUP 6.29
Upper HN PHE 45 - QD1 ILE 89 4.22 9 0.25 0.53 +* +++++ ++ # peak 970 # SUP 1.18
HN PHE 45 - QG2 VAL 83 # SUP 0.12
Upper HN CYS 50 - HN CYS 53 4.62 6 0.22 0.55 * ++ + ++ # peak 973 # SUP 0.75
Upper HN LEU 31 - HG LEU 31 3.11 7 0.18 0.59 ++ + *+ + + # peak 992 # SUP 6.09
HN PHE 55 - QD1 ILE 56 # SUP 3.07
Upper HN SER 37 - HG2 LYS+ 38 4.43 7 0.23 0.54 + + + * + ++ # peak 1053 # SUP 4.07
Upper HN GLN 30 - HB3 GLN 30 3.18 7 0.15 0.40 ++ ++* + + # peak 1079 # SUP 6.13
Upper HN GLN 30 - HG LEU 31 4.11 10 0.63 1.38 ++ *++++ + + + # peak 1080 # SUP 0.02
HN GLN 30 - QD2 LEU 73 # SUP 0.02
Upper HB3 GLN 30 - HN GLN 32 4.30 20 0.66 0.94 ++++++++++++++*+++++ # peak 1092 # SUP 2.17
Upper HN TRP 27 - QD1 LEU 73 3.93 6 0.23 0.61 + + *+ + + # peak 1136 # SUP 2.72
Upper HN CYS 21 - QD2 LEU 73 4.31 18 0.55 1.03 ++++++ +++++++++*++ # peak 1169 # SUP 2.49
Upper HN ILE 119 - HN HIS 122 3.99 20 0.58 0.66 +++++++++++++++*++++ # peak 1173 # SUP 1.95
Upper HN CYS 21 - HG3 LYS+ 74 3.43 11 0.32 0.75 + +++ + + ++ *++ # peak 1181 # SUP 0.96
Upper HG12 ILE 19 - HN ALA 20 4.60 13 0.29 0.51 +*++ ++ + + +++ ++ # peak 1192 # SUP 4.42
HN ALA 20 - HG LEU 73 # SUP 0.75
Upper HA PHE 59 - HN PHE 60 2.99 20 0.59 0.64 ++++++++++++*+++++++ # peak 1282 # SUP 3.87
Upper HG3 LYS+ 33 - HN ALA 34 3.18 8 0.29 0.63 ++ + ++ * + + # peak 1294 # SUP 5.49
HN LEU 80 - QB ALA 84 # SUP 0.99
Upper HG LEU 31 - HN ALA 34 4.33 17 0.63 1.37 ++++++ ++*+ +++++ ++ # peak 1314 # SUP 2.20
HN ALA 34 - QD2 LEU 73 # SUP 0.57
Upper HA ILE 19 - HG12 ILE 19 3.42 13 0.32 0.59 +++ +++*+ ++++ + # peak 87 # SUP 5.31
Upper HA ILE 19 - QD1 ILE 19 2.84 17 0.49 0.70 +++++++++ +++ +++ +* # peak 89 # SUP 4.54
QG2 VAL 18 - HA ILE 19 # SUP 4.58
Upper HA ILE 19 - QD1 ILE 19 3.30 7 0.34 0.82 ++ +* ++ + # peak 105 # SUP 4.54
Upper HA THR 26 - HB THR 26 2.43 20 0.49 0.64 ++++++++++++++++*+++ # peak 168 # SUP 2.96
Upper HA GLN 30 - HG2 GLN 30 3.80 8 0.18 0.47 ++ ++ *++ + # peak 211 # SUP 5.81
Upper HA LEU 31 - QD1 LEU 31 3.30 8 0.34 0.68 + * + + + ++ + # peak 228 # SUP 4.81
Upper HA LEU 73 - QD2 LEU 73 2.88 18 0.39 0.52 ++++++ ++++++++*+ ++ # peak 831 # SUP 6.23
Upper HA LYS+ 74 - HG3 LYS+ 74 2.99 20 0.48 0.79 +++++++++++++++++*++ # peak 855 # SUP 5.57
HA LYS+ 74 - HB VAL 75 # SUP 5.15
Upper HA LYS+ 74 - HD2 LYS+ 74 2.97 13 0.31 0.70 ++ *+ + ++++ ++++ # peak 856 # SUP 5.57
Upper HA LYS+ 74 - QE LYS+ 74 2.76 6 0.30 0.85 *+ + + + + # peak 857 # SUP 4.93
Upper HB2 LYS+ 74 - HD2 LYS+ 74 2.40 8 0.20 0.57 + ++ + + +*+ # peak 877 # SUP 5.27
Upper HB2 GLU- 100 - HG2 GLU- 100 2.65 18 0.38 0.41 +* ++ ++++++++++++++ # peak 1201 # SUP 3.25
Upper HG2 LYS+ 102 - QE LYS+ 102 2.97 9 0.22 0.34 *+ + ++ + + + + # peak 1246 # SUP 4.44
Upper HA LEU 104 - QD1 LEU 104 3.41 19 0.43 0.58 +++*+++ ++++++++++++ # peak 1270 # SUP 5.31
Upper HA LEU 115 - QD2 LEU 115 2.98 11 0.34 0.68 + + + + +* ++ ++ + # peak 1477 # SUP 7.40
Upper HA GLN 116 - HG2 GLN 116 3.16 13 0.27 0.52 +++++ ++++ ++* + # peak 1484 # SUP 4.63
Upper HB2 GLN 116 - HG2 GLN 116 2.51 13 0.32 0.54 ++ + +* + +++ + +++ # peak 1489 # SUP 4.76
Upper HA ILE 119 - QD1 ILE 119 3.21 14 0.38 0.60 +++++ *+++ ++ ++ + # peak 1502 # SUP 5.74
Upper HB3 LEU 123 - QD1 LEU 123 2.67 19 0.41 0.52 +++*+++++++ ++++++++ # peak 1602 # SUP 5.83
Upper HA LYS+ 121 - HD3 LYS+ 121 3.24 8 0.28 0.72 + ++ +* +++ # peak 1675 # SUP 6.63
Upper HN VAL 75 - HB VAL 75 3.18 12 0.29 0.50 ++ ++ ++ + ++* ++ # peak 2234 # SUP 4.01
Upper QD PHE 72 - QG1 VAL 75 3.21 15 0.50 1.00 ++ +++++* ++++++ + # peak 2235 # SUP 1.50
HZ PHE 72 - QG1 VAL 75 # SUP 1.57
QE PHE 45 - QG1 VAL 75 # SUP 0.20
Upper QG1 VAL 75 - HN ASP- 76 3.33 11 0.40 0.87 *+ ++ ++ + + + ++ # peak 2238 # SUP 3.99
Upper QD PHE 72 - QG2 VAL 75 3.74 11 0.33 0.82 ++ +++ + + + + * + # peak 2241 # SUP 1.50
Upper HA ASN 28 - HG LEU 31 3.69 9 0.24 0.62 ++ + +++ * + + # peak 2292 # SUP 3.17
Upper HB3 LEU 40 - QG1 VAL 41 2.82 7 0.23 0.72 ++ + + *+ + # peak 2314 # SUP 3.37
QG2 VAL 18 - HG2 LYS+ 65 # SUP 0.02
QG2 VAL 18 - HB2 LYS+ 74 # SUP 0.02
Upper QB ALA 20 - QE LYS+ 74 3.54 6 0.20 0.46 + + + + * + # peak 2348 # SUP 0.02
Upper HA VAL 24 - HB3 TRP 27 3.42 7 0.21 0.43 *++ + + ++ # peak 2388 # SUP 3.00
Upper HA THR 26 - HN GLN 30 3.70 15 0.34 0.52 + +++ +++++++ +++ * # peak 2411 # SUP 1.27
Upper HB3 TRP 27 - HN ASN 28 3.67 20 0.47 0.62 +++++++++++++++*++++ # peak 2431 # SUP 5.63
Upper HB3 ASN 28 - HD22 ASN 28 3.80 11 0.23 0.36 +++ + + +* +++ + # peak 2435 # SUP 3.24
Upper HA GLU- 29 - HN GLN 30 3.09 20 0.50 0.54 +++++++*++++++++++++ # peak 2441 # SUP 5.54
Upper HG2 GLN 30 - HE21 GLN 30 3.51 7 0.20 0.64 + + +*++ + # peak 2451 # SUP 4.21
Upper HD21 ASN 28 - QD1 LEU 31 3.77 8 0.21 0.57 ++ + +*+ + + # peak 2460 # SUP 0.99
Upper HN LEU 31 - HG LEU 31 3.24 7 0.16 0.52 ++ + *++ + # peak 2462 # SUP 6.09
Upper HA LEU 31 - QD1 LEU 73 3.71 8 0.23 0.72 ++ +++ + *+ # peak 2471 # SUP 1.22
Upper HE22 GLN 30 - QD2 LEU 31 3.72 6 0.22 0.63 + + ++* + # peak 2477 # SUP 2.92
Upper HB3 ASN 35 - QB GLU- 36 3.85 7 0.20 0.43 + +++ + + * # peak 2510 # SUP 4.91
Upper HB2 ASN 35 - QB GLU- 36 3.67 6 0.23 0.62 + + + * + + # peak 2511 # SUP 5.27
HB2 ASN 28 - HB3 GLU- 29 # SUP 4.15
HB2 ASN 28 - HG3 GLU- 29 # SUP 4.25
Upper HG LEU 40 - QG2 VAL 70 3.36 7 0.26 0.61 ++ + * + ++ # peak 2556 # SUP 4.88
Upper QD2 LEU 40 - QG2 VAL 70 3.14 8 0.32 0.81 + *+ ++ ++ + # peak 2558 # SUP 3.75
Upper HB2 PHE 45 - QG2 THR 77 3.66 9 0.22 0.56 + + +*++ ++ + # peak 2606 # SUP 2.56
Upper HB2 TRP 49 - HD1 TRP 49 3.40 18 0.45 0.52 +++++++++* ++++ ++++ # peak 2622 # SUP 4.80
Upper QB ALA 47 - QB CYS 50 3.49 11 0.28 0.49 + ++++ +* +++ + # peak 2627 # SUP 4.12
Upper HN ASP- 62 - HB2 LEU 63 4.11 16 0.38 0.62 ++++++ + +*+++++ ++ # peak 2771 # SUP 4.55
Upper HA LEU 67 - QD2 LEU 67 2.87 10 0.31 0.73 ++ + + + ++* ++ # peak 2813 # SUP 2.91
Upper HG12 ILE 19 - HA PHE 72 3.39 18 0.45 0.93 ++++++++ ++ +++++*++ # peak 2877 # SUP 0.43
HA PHE 72 - HG LEU 73 # SUP 2.51
HB3 LEU 67 - HA PHE 72 # SUP 0.45
Upper HB2 PHE 72 - QD2 LEU 73 3.59 20 0.97 1.20 +++++*++++++++++++++ # peak 2878 # SUP 5.61
Upper HA GLU- 79 - HN LEU 80 3.20 14 0.30 0.45 + *+++++ + ++++ + + # peak 2914 # SUP 5.31
Upper QD2 LEU 80 - HN LYS+ 81 3.47 9 0.31 0.63 ++ ++++ * + + # peak 2917 # SUP 5.93
Upper HB3 PHE 95 - QG2 VAL 107 3.83 7 0.28 0.81 ++ + * + + + # peak 3039 # SUP 1.70
Upper QG1 VAL 43 - HB2 MET 96 3.86 8 0.28 1.15 + ++*+ + + + # peak 3053 # SUP 0.75
QG2 THR 46 - HB2 MET 96 # SUP 0.72
Upper HG3 MET 96 - HN PHE 97 3.89 7 0.24 0.67 + + *+ ++ + # peak 3057 # SUP 5.07
Upper QG2 THR 94 - HG2 MET 96 3.74 6 0.22 0.45 + ++*+ + # peak 3058 # SUP 0.91
HG2 MET 96 - HD2 LYS+ 112 # SUP 0.75
HG2 MET 96 - HB3 LYS+ 112 # SUP 0.59
Upper HG3 MET 96 - HB2 LYS+ 112 3.78 9 0.23 0.80 + + ++ +*+ + + # peak 3060 # SUP 1.58
HG3 MET 96 - HG3 LYS+ 106 # SUP 0.02
HG3 MET 96 - HG LEU 98 # SUP 0.24
Upper HA LEU 98 - HN ASP- 105 3.84 9 0.29 0.48 ++* ++++ + + # peak 3077 # SUP 3.56
Upper QD PHE 97 - HA LYS+ 106 3.77 6 0.21 0.73 + ++++ * # peak 3156 # SUP 3.58
Upper QB LYS+ 106 - QG2 VAL 107 3.52 8 0.24 0.58 *+ ++ + + ++ # peak 3164 # SUP 0.02
HG13 ILE 103 - QB LYS+ 106 # SUP 0.02
QG2 THR 94 - QB LYS+ 106 # SUP 0.02
Upper QG2 VAL 107 - QB GLU- 114 2.89 9 0.26 0.77 +++ +*+++ + # peak 3180 # SUP 0.99
Upper QG2 VAL 107 - HN VAL 108 3.34 9 0.20 0.55 ++++ + + +* + # peak 3191 # SUP 2.97
Upper HG2 LYS+ 74 - HN VAL 75 3.75 9 0.26 0.73 + +*++ ++ + + # peak 3210 # SUP 5.17
Upper QE PHE 95 - HA LYS+ 112 3.61 7 0.23 0.84 + ++* ++ + # peak 3213 # SUP 1.60
Upper HN LYS+ 112 - HG2 LYS+ 112 3.84 7 0.24 0.61 ++* + + + + # peak 3215 # SUP 6.13
Upper HB3 ASP- 62 - HG3 LYS+ 112 3.88 6 0.23 0.59 +++ + * + # peak 3218 # SUP 2.15
HG3 MET 96 - HG3 LYS+ 112 # SUP 2.56
Upper QE PHE 95 - HG3 LYS+ 112 4.13 10 0.28 0.90 +*+ + +++ + + + # peak 3219 # SUP 1.90
Upper HB3 ASP- 62 - HD3 LYS+ 112 3.85 6 0.19 0.60 + + * ++ + # peak 3223 # SUP 2.04
HG3 MET 96 - HD3 LYS+ 112 # SUP 1.47
Upper HA LYS+ 112 - HB2 LEU 115 3.61 12 0.32 0.67 *+ ++ +++++ + + + # peak 3248 # SUP 0.75
Upper HN LEU 115 - HG LEU 115 3.73 11 0.35 0.75 + + + + *+ ++ ++ + # peak 3254 # SUP 7.26
Upper QD PHE 95 - QD2 LEU 115 3.36 12 0.43 1.02 + +++ ++ + +*+ + + # peak 3258 # SUP 1.49
Upper QE PHE 59 - QD2 LEU 115 2.82 6 0.17 0.62 + + + * + + # peak 3259 # SUP 2.93
HN PHE 59 - QD2 LEU 115 # SUP 0.56
Upper QD PHE 59 - QG2 THR 118 3.38 9 0.29 0.51 + +* +++ + + + # peak 3302 # SUP 3.87
Upper HA ILE 119 - HD2 LYS+ 121 3.77 20 0.77 1.08 ++++*+++++++++++++++ # peak 3304 # SUP 0.02
HA ILE 119 - QB ALA 120 # SUP 0.02
HG LEU 115 - HA ILE 119 # SUP 0.02
Upper QD1 ILE 119 - HN HIS 122 3.44 6 0.23 0.93 + * + + + + # peak 3326 # SUP 1.74
HN PHE 59 - QD1 ILE 119 # SUP 0.02
Upper HA THR 118 - HB3 LYS+ 121 3.58 18 0.41 0.79 ++++++++ +++ +*+++++ # peak 3333 # SUP 2.42
HA ILE 119 - HB3 LYS+ 121 # SUP 2.77
Upper QG2 ILE 119 - HB3 HIS 122 3.52 16 0.33 0.59 +++ ++++++ +*+ ++++ # peak 3346 # SUP 0.75
Upper HA GLN 116 - HG3 GLN 116 3.69 8 0.21 0.56 + +++ *+ + + # peak 3381 # SUP 5.44
Upper HN GLU- 25 - HD1 TRP 27 4.59 13 0.34 0.52 + + +++ ++*+++++ # peak 48 # SUP 2.30
Upper HD1 TRP 27 - QD1 LEU 73 3.82 8 0.24 0.85 + + + ++* + + # peak 67 # SUP 2.55
HD1 TRP 27 - QD2 LEU 80 # SUP 0.02
Upper HD1 TRP 27 - QD2 LEU 31 4.22 7 0.27 1.05 + + +*++ + # peak 68 # SUP 1.66
Upper HZ2 TRP 27 - HD21 ASN 28 4.53 11 0.29 0.55 + + + ++*++ +++ # peak 79 # SUP 2.55
Upper QD PHE 45 - HB3 ASP- 76 4.89 6 0.25 0.72 * + + +++ # peak 96 # SUP 1.28
QD PHE 45 - HB2 MET 96 # SUP 1.02
QD PHE 45 - HG3 MET 92 # SUP 0.83
Upper QD PHE 59 - HN LEU 115 4.67 20 0.92 1.46 *+++++++++++++++++++ # peak 148 # SUP 0.02
QD PHE 59 - HN PHE 97 # SUP 0.02
Upper QD PHE 59 - HA ILE 119 4.47 6 0.22 0.61 + + + + +* # peak 150 # SUP 2.25
QD PHE 59 - HA THR 118 # SUP 1.56
Upper HB2 PRO 58 - QD PHE 59 4.31 11 0.41 0.83 + + + ++++*++ + # peak 153 # SUP 2.99
QD PHE 59 - HB2 GLN 116 # SUP 1.30
Upper QD1 LEU 67 - HZ PHE 72 3.47 8 0.25 0.83 * + + +++ ++ # peak 204 # SUP 2.91
HZ PHE 72 - HB VAL 75 # SUP 2.53
Upper HD2 HIS 122 - QD1 LEU 123 4.58 18 0.38 0.60 +++*+ ++++++++ +++++ # peak 257 # SUP 4.65
HD2 HIS 122 - QD2 LEU 123 # SUP 3.98
Angle PSI ILE 19 114.00 146.00 6 4.05 9.04 + + + + * +
Angle PSI ALA 20 109.00 143.00 14 8.02 17.86 +++ ++ ++++*+ + + +
Angle PHI LEU 31 285.00 305.00 14 6.39 12.36 +++ ++++ + + ++*++
Angle PSI LEU 31 310.00 330.00 10 4.41 12.10 ++ +++ + *++ +
Angle PHI LEU 40 256.00 292.00 9 6.59 23.99 + * + +++++ +
Angle PSI VAL 43 116.00 160.00 8 3.82 9.03 + +++++ *+
Angle PHI ASP- 44 239.00 279.00 9 4.29 14.03 ++ +*+++ + +
Angle PSI ASP- 44 102.00 128.00 6 5.36 34.19 +++++*
Angle PHI PHE 45 239.00 285.00 6 5.60 30.13 + +++* +
Angle PSI PHE 45 119.00 145.00 11 10.15 57.43 + ++++ +++ + +*
Angle PHI THR 46 205.00 237.00 11 7.63 29.19 + ++++++ + ++ *
Angle PSI ALA 47 109.00 151.00 7 3.41 9.92 + +*+ + + +
Angle PSI SER 48 322.00 342.00 6 3.63 12.69 + + ++ +*
Angle PSI PRO 52 313.00 329.00 9 5.91 23.41 ++++ *+++ +
Angle PSI ARG+ 54 310.00 330.00 12 5.60 14.99 ++ +++ + ++ *+ + +
Angle PSI PRO 58 317.00 327.00 6 4.23 16.04 + ++ +* +
Angle PHI PHE 59 280.00 300.00 7 5.83 15.40 + ++ +++ *
Angle PSI LEU 63 306.00 326.00 7 3.81 11.84 + + +* ++ +
Angle PHI ALA 64 286.00 306.00 9 4.42 10.47 ++ + ++ + +* +
Angle PSI ALA 64 307.00 327.00 16 6.91 11.19 +++++ ++ + +++++++*
Angle PHI LYS+ 65 281.00 301.00 13 7.14 13.52 +++ + + *+ ++++ ++
Angle PSI PHE 72 123.00 143.00 20 13.79 22.52 +++++++++++++++++*++
Angle PSI LEU 73 132.00 166.00 20 19.67 26.83 ++++++*+++++++++++++
Angle PHI LYS+ 74 213.00 255.00 20 22.75 28.29 ++++++++++++++++++*+
Angle PSI LYS+ 74 116.00 140.00 20 20.16 27.90 ++++++++++++++++*+++
Angle PHI ASP- 76 248.00 290.00 9 4.12 8.82 +++ ++ * +++
Angle PSI PHE 95 122.00 144.00 15 10.81 26.67 +++ + ++++++++ + +*
Angle PHI MET 96 214.00 250.00 7 4.15 14.50 + ++ ++ * +
Angle PHI LYS+ 106 200.00 244.00 7 4.33 13.89 ++ +++ * +
Angle PSI LYS+ 106 129.00 157.00 12 6.06 17.48 +++ *++++++ + +
Angle PHI VAL 107 216.00 244.00 13 9.75 20.50 ++++*++++++ + +
Angle PSI LYS+ 111 112.00 174.00 6 2.67 8.12 ++ + + + *
Angle PHI GLU- 114 283.00 303.00 10 3.93 8.31 * ++ +++++ + +
Angle PSI GLU- 114 310.00 330.00 6 3.61 9.40 + + + + * +
Angle PSI ILE 119 310.00 330.00 8 4.20 8.13 + + + ++ + *+
120 violated distance constraints.
35 violated angle constraints.
RMSDs for residues 16..123:
Average backbone RMSD to mean : 4.11 +/- 1.91 A (2.09..8.03 A)
Average heavy atom RMSD to mean : 4.48 +/- 1.98 A (2.40..8.61 A)