Structural statistics:
str target upper limits van der Waals torsion angles
function # sum max # sum max # sum max
1 125.79 65 129.0 1.74 79 52.5 0.76 60 970.3 39.18
2 128.11 69 131.2 1.64 68 50.9 0.60 59 853.6 41.23
3 128.14 65 127.2 2.05 74 55.6 0.70 68 998.2 39.58
4 131.51 69 131.8 1.77 71 54.4 0.77 69 1012.9 42.44
5 132.59 72 132.0 1.64 78 57.6 0.70 59 919.1 38.66
6 140.60 68 131.5 1.87 72 55.1 0.72 58 1030.0 63.45
7 141.93 66 137.6 2.60 78 60.8 0.60 64 931.1 37.73
8 142.70 81 136.1 1.91 93 60.8 0.75 64 1021.9 66.00
9 142.74 74 136.2 2.29 80 58.0 0.54 63 971.1 46.15
10 147.67 74 133.1 1.92 82 61.0 0.79 67 1080.7 49.92
11 150.09 84 140.8 1.91 83 57.4 0.69 59 948.2 55.62
12 154.33 74 134.8 2.71 103 67.5 0.73 62 982.8 43.59
13 154.56 80 140.4 1.77 93 64.5 0.76 56 1050.1 42.09
14 155.88 78 138.4 2.14 89 59.8 0.60 78 1267.7 52.85
15 156.67 80 142.6 3.39 63 54.4 0.71 46 871.5 73.43
16 156.94 71 139.2 3.48 68 50.0 0.69 67 1091.9 54.15
17 157.37 69 141.1 2.53 91 60.6 0.99 61 991.4 51.12
18 159.40 77 135.8 2.44 98 66.4 0.72 68 1171.8 66.33
19 160.84 88 151.6 2.02 74 60.4 0.67 65 1018.4 43.00
20 161.58 76 143.7 2.85 93 65.8 0.65 65 1013.1 56.93
Ave 146.47 74 136.7 2.23 82 58.7 0.71 63 1009.8 50.17
+/- 11.76 6 5.6 0.53 11 4.9 0.09 6 93.0 10.40
Min 125.79 65 127.2 1.64 63 50.0 0.54 46 853.6 37.73
Max 161.58 88 151.6 3.48 103 67.5 0.99 78 1267.7 73.43
Constraints violated in 6 or more structures:
Cutoffs: Upper distance limits : 0.60 A
Lower distance limits : 0.20 A
Angle constraints : 5.00 deg
# mean max. 1 5 10 15 20
Upper HN GLN 17 - HA VAL 18 3.24 18 1.13 1.46 +++++ + +++++++++++* # peak 284 # SUP 3.86
HN GLN 17 - HA LYS+ 33 # SUP 0.63
HN GLN 17 - HA VAL 70 # SUP 0.31
Upper HA ALA 20 - HN HIS 22 3.87 20 1.12 1.26 +++++++++++++++++++* # peak 298 # SUP 0.34
Upper HA GLU- 25 - HN THR 26 3.02 20 0.62 0.62 ++++++++++++++*+++++ # peak 323 # SUP 5.16
Upper HN VAL 42 - HA PHE 45 3.24 18 1.37 3.48 + ++++++++++++*++++ # peak 364 # SUP 0.85
HN VAL 42 - HA ASP- 78 # SUP 0.63
Upper HN ILE 56 - HN ALA 57 3.22 11 0.57 1.37 + ++ + ++ *+ +++ # peak 401 # SUP 4.52
Upper HE3 TRP 27 - HD22 ASN 28 4.43 14 0.78 1.44 + + +++ + ++++ ++*+ # peak 421 # SUP 2.51
Upper QE PHE 60 - HN LEU 73 4.51 11 0.61 1.73 ++++ + ++ +*++ # peak 440 # SUP 1.23
HN LEU 63 - HN LEU 73 # SUP 0.24
HD21 ASN 28 - HN LEU 73 # SUP 0.02
Upper HN PHE 95 - HN VAL 107 3.93 8 0.85 2.44 + ++ ++ ++* # peak 509 # SUP 2.00
Upper HN LEU 98 - QG2 ILE 103 4.19 11 0.69 1.37 + ++++ + *++ ++ # peak 710 # SUP 1.93
QD2 LEU 40 - HN LEU 98 # SUP 0.81
Upper HN MET 96 - QD2 LEU 115 4.58 13 0.73 1.50 ++ + + +++ +++ *+ + # peak 725 # SUP 1.31
QD1 LEU 63 - HN MET 96 # SUP 0.24
QD2 LEU 63 - HN MET 96 # SUP 0.28
Upper HN ALA 57 - HB3 PRO 58 4.22 16 0.78 1.13 ++ +++*++++ ++++ ++ # peak 929 # SUP 4.10
Upper HB3 GLN 30 - HN LEU 31 3.52 6 0.37 0.80 * + + + + + # peak 995 # SUP 7.27
HN PHE 55 - HB ILE 56 # SUP 3.82
Upper HN VAL 43 - HB2 MET 96 4.60 10 0.57 1.34 + + + ++ ++ ++* # peak 1012 # SUP 0.75
HN VAL 43 - HB VAL 70 # SUP 0.02
HN VAL 43 - HB3 ASP- 76 # SUP 0.02
Upper HN GLN 30 - HG LEU 31 4.24 12 0.65 1.54 + +* +++ +++ +++ # peak 1080 # SUP 5.35
Upper HN ASN 35 - HA GLU- 36 4.09 20 1.02 1.18 ++++++++*+++++++++++ # peak 1115 # SUP 3.97
Upper HB2 GLU- 25 - HN ASN 28 4.63 10 0.60 0.77 + ++++ + + +*+ # peak 1127 # SUP 0.55
Upper HE1 TRP 27 - QD1 LEU 73 4.45 9 0.46 1.28 +++ + ++ *++ # peak 1139 # SUP 2.22
HE1 TRP 27 - QD2 LEU 80 # SUP 0.41
HE1 TRP 27 - QD1 LEU 63 # SUP 0.11
Upper HN VAL 24 - QD1 LEU 73 3.78 9 0.64 1.39 *++ + ++ +++ # peak 1155 # SUP 2.25
HN VAL 24 - QD2 LEU 80 # SUP 0.75
Upper HN THR 23 - QD1 LEU 73 3.86 12 0.62 1.13 + ++ + *+++ ++++ # peak 1161 # SUP 1.10
Upper HN VAL 42 - HN ASP- 44 4.24 17 0.96 2.60 ++++++*++++++ + +++ # peak 1206 # SUP 1.91
Upper HN LYS+ 106 - QG1 VAL 107 4.79 12 0.76 1.81 + ++ ++++ +*+++ # peak 1229 # SUP 2.60
Upper HN PHE 72 - QD2 LEU 73 4.54 11 0.58 0.86 ++ + + ++*++ + + # peak 1239 # SUP 5.61
Upper QG1 VAL 42 - HN ASP- 78 4.53 7 0.50 1.77 + + ++ + *+ # peak 1244 # SUP 0.75
Upper HG3 PRO 58 - HN PHE 60 3.36 13 0.75 1.23 *+++ + ++++++ ++ # peak 1287 # SUP 0.91
QB GLU- 114 - HN THR 118 # SUP 0.75
HB2 LEU 115 - HN THR 118 # SUP 0.17
Upper HA ASP- 78 - HN LEU 80 4.03 10 0.61 1.21 +* + ++++ ++ + # peak 1304 # SUP 2.94
Upper HA THR 26 - HB THR 26 2.40 11 0.56 0.66 +++ +++ + + *+ + # peak 166 # SUP 3.30
Upper HA ILE 103 - QD1 ILE 103 2.99 10 0.51 1.14 + +++ + + ++* + # peak 1253 # SUP 5.44
Upper HZ PHE 72 - HB VAL 75 4.10 17 1.07 2.85 +++++++ ++++ ++++ +* # peak 2233 # SUP 2.23
Upper QD PHE 72 - QG1 VAL 75 3.28 6 0.43 0.83 + +++ +* # peak 2235 # SUP 1.50
HZ PHE 72 - QG1 VAL 75 # SUP 1.74
QE PHE 45 - QG1 VAL 75 # SUP 1.00
Upper HN THR 46 - QG2 THR 77 3.42 6 0.35 1.00 + + + + * + # peak 2251 # SUP 1.19
HN LYS+ 74 - QG2 THR 77 # SUP 0.02
Upper HB3 MET 92 - HB3 PRO 93 3.40 14 0.84 1.76 ++ ++ *++++++ +++ # peak 2257 # SUP 1.82
HB ILE 89 - HB3 PRO 93 # SUP 0.42
HB3 PRO 93 - HD2 LYS+ 111 # SUP 0.02
QG1 ILE 56 - HB3 PRO 93 # SUP 0.02
Upper QD PHE 45 - HB3 PRO 93 4.09 8 0.51 0.94 + * +++ ++ + # peak 2260 # SUP 1.30
Upper HA VAL 18 - HA ALA 64 3.78 18 0.90 1.37 ++++*+++++ ++++++++ # peak 2309 # SUP 0.75
HA VAL 18 - HB2 PHE 72 # SUP 0.02
Upper HA VAL 83 - HD1 TRP 87 3.79 11 0.63 0.92 + ++ + +++ + *+ + # peak 2385 # SUP 4.30
HA VAL 83 - HE3 TRP 87 # SUP 1.39
Upper HB VAL 24 - QD1 LEU 73 3.88 6 0.30 1.16 ++* + + + # peak 2394 # SUP 1.74
HB VAL 24 - QD2 LEU 80 # SUP 0.48
Upper HA SER 82 - QB ALA 84 3.57 13 0.68 1.14 ++ +++ +++ + +*++ # peak 2407 # SUP 2.75
Upper HB2 GLU- 25 - HA THR 26 3.21 18 0.66 0.75 +++ +++++++++++ +*++ # peak 2409 # SUP 4.07
Upper HB3 TRP 27 - HN ASN 28 3.75 7 0.57 0.66 + +*++ + + # peak 2431 # SUP 5.63
Upper HA LEU 31 - QD1 LEU 73 3.80 6 0.63 1.54 + + + + +* # peak 2471 # SUP 1.22
Upper HA PHE 55 - QG2 ILE 56 3.34 10 0.82 1.93 + + ++ + * ++ ++ # peak 2494 # SUP 4.25
Upper QG2 ILE 56 - HN ALA 57 3.44 6 0.40 1.07 +* + + ++ # peak 2496 # SUP 4.66
Upper QB ALA 34 - QG1 VAL 41 2.54 11 0.69 1.49 + ++ ++ +* ++++ # peak 2500 # SUP 0.49
HG LEU 31 - QB ALA 34 # SUP 2.12
QG2 VAL 18 - QB ALA 34 # SUP 0.48
Upper HB2 LYS+ 38 - HN THR 39 3.36 18 0.88 1.17 +++++ + ++++++*+++++ # peak 2530 # SUP 5.36
HN GLU- 36 - HB2 LYS+ 38 # SUP 0.32
Upper HB THR 39 - HN LEU 40 3.85 8 0.52 0.83 ++ + ++ + +* # peak 2536 # SUP 4.32
Upper QD2 LEU 40 - HN VAL 41 3.13 6 0.29 0.85 + + +*+ + # peak 2548 # SUP 3.96
Upper QD1 LEU 40 - QG2 VAL 70 2.91 6 0.36 1.20 + *+ + + + # peak 2557 # SUP 3.24
Upper HB3 ASP- 44 - QD PHE 45 3.83 8 0.48 1.23 + + ++ + +* + # peak 2599 # SUP 4.41
Upper HA ASP- 44 - HA PHE 95 3.62 7 0.54 2.63 + + + *+ ++ # peak 2604 # SUP 2.00
Upper HB3 PHE 45 - QG2 ILE 89 3.56 6 0.39 1.51 + +*+ ++ # peak 2609 # SUP 1.29
Upper HD2 PRO 52 - HN ARG+ 54 3.66 12 0.66 1.04 *++ + ++++++ ++ # peak 2644 # SUP 1.78
HD2 PRO 52 - HN PHE 55 # SUP 0.23
Upper HN ILE 56 - HB ILE 56 3.21 6 0.39 0.85 + + + + * + # peak 2682 # SUP 5.48
Upper HA PHE 55 - QD1 ILE 56 3.07 18 1.15 2.60 ++ +++++++++ ++*++++ # peak 2691 # SUP 3.93
Upper QD1 ILE 56 - HN PHE 59 3.46 12 0.60 1.24 + ++ ++ + +*+++ + # peak 2693 # SUP 1.11
QD1 ILE 56 - HN HIS 122 # SUP 0.02
Upper QB ALA 64 - QD2 LEU 73 2.93 6 0.44 0.92 + ++ + + * # peak 2786 # SUP 3.98
QG2 VAL 18 - QB ALA 64 # SUP 0.88
QG1 VAL 41 - QB ALA 64 # SUP 0.20
QG1 VAL 43 - QB ALA 64 # SUP 0.20
QD1 ILE 19 - QB ALA 64 # SUP 0.40
Upper HA LEU 67 - QD2 LEU 67 2.94 7 0.36 0.91 +*+ +++ + # peak 2813 # SUP 2.91
Upper QG2 VAL 70 - HN LEU 73 3.81 18 1.28 2.05 ++++++++ ++*+++++++ # peak 2859 # SUP 0.91
HN VAL 42 - QG2 VAL 70 # SUP 0.02
HN ILE 19 - QG2 VAL 70 # SUP 0.02
Upper HA PHE 72 - HG LEU 73 3.47 7 0.45 1.13 + + + + ++* # peak 2877 # SUP 2.51
HG12 ILE 19 - HA PHE 72 # SUP 0.11
HB3 LEU 67 - HA PHE 72 # SUP 0.46
Upper QB ALA 64 - HB2 PHE 72 3.62 14 0.86 1.51 +++ + ++++*+ + ++ + # peak 2879 # SUP 3.24
Upper QB ALA 64 - HB3 PHE 72 3.60 6 0.50 0.80 + + + + * + # peak 2881 # SUP 3.75
Upper HA VAL 70 - HB3 PHE 72 3.84 16 0.97 2.14 ++ ++++ +++++*++ ++ # peak 2883 # SUP 1.09
HB2 SER 37 - HB3 PHE 72 # SUP 0.46
HA1 GLY 16 - HB3 PHE 72 # SUP 0.02
Upper HB3 LYS+ 74 - HN VAL 75 3.69 17 0.84 1.00 ++ ++ +*++++ +++++++ # peak 2899 # SUP 4.80
Upper HB2 GLU- 79 - HN LEU 80 3.40 6 0.38 0.92 ++ *++ + # peak 2910 # SUP 5.40
Upper HN GLU- 79 - QG LYS+ 81 3.83 11 0.65 1.30 + ++ + +*+ +++ + # peak 2921 # SUP 0.67
Upper HB3 TRP 87 - HE3 TRP 87 3.26 20 0.75 0.86 ++++++++++++*+++++++ # peak 2951 # SUP 3.28
Upper HD1 TRP 87 - QG2 ILE 89 3.59 16 0.72 1.00 +++++++++*++ + +++ # peak 2965 # SUP 1.00
Upper HD2 PRO 93 - QB ALA 110 3.79 12 0.83 2.53 + + +++ ++ + +*++ # peak 3020 # SUP 0.57
QB ALA 61 - HD2 PRO 93 # SUP 0.02
Upper HB2 PHE 45 - HB THR 94 3.50 6 0.35 1.01 ++ * + + + # peak 3024 # SUP 2.96
Upper QG1 VAL 42 - HB3 PHE 95 3.71 8 0.52 1.57 *+ +++ + + + # peak 3041 # SUP 0.57
QB ALA 47 - HB3 PHE 95 # SUP 0.65
HB3 PHE 95 - HG2 LYS+ 112 # SUP 0.61
Upper QD1 ILE 89 - QG2 THR 94 3.11 6 0.51 1.71 + ++ * ++ # peak 3044 # SUP 0.75
Upper HG12 ILE 103 - HA LEU 104 3.81 18 1.29 2.02 +++++++ ++++++++ +*+ # peak 3119 # SUP 4.63
Upper HN ILE 103 - HG12 ILE 103 3.37 12 0.59 1.22 *+++++ ++++ + + # peak 3120 # SUP 7.21
Upper QB LYS+ 106 - QG2 VAL 107 3.60 9 0.53 1.35 ++ ++ ++* + + # peak 3164 # SUP 4.26
Upper HB VAL 107 - QD2 LEU 115 3.97 12 0.67 1.31 +++ +++ ++ *+ ++ # peak 3172 # SUP 0.75
Upper HN PHE 95 - HB VAL 107 4.17 6 0.41 1.65 * ++ ++ + # peak 3176 # SUP 3.20
Upper QG2 VAL 107 - QB GLU- 114 2.96 8 0.49 1.11 ++ + + + + +* # peak 3180 # SUP 0.99
Upper QG1 VAL 107 - QD2 LEU 115 2.87 11 0.62 1.15 + * + + + ++ ++++ # peak 3181 # SUP 2.75
Upper QG1 VAL 107 - HB VAL 108 3.32 12 0.63 1.55 ++*+ + + +++ + ++ # peak 3185 # SUP 3.31
HG2 PRO 58 - QG1 VAL 107 # SUP 0.09
HB2 PRO 93 - QG1 VAL 107 # SUP 0.02
Upper HB3 LYS+ 111 - HB3 LYS+ 112 3.13 12 0.83 2.05 ++* ++ ++ + + +++ # peak 3204 # SUP 3.38
QG2 VAL 107 - HB3 LYS+ 111 # SUP 0.02
Upper HG2 LYS+ 74 - HN VAL 75 3.84 6 0.31 0.90 + + *+++ # peak 3210 # SUP 6.11
Upper QE PHE 59 - HG2 LYS+ 112 4.09 13 0.80 1.68 ++ ++ +++ + + *+++ # peak 3216 # SUP 0.56
HN PHE 59 - HG2 LYS+ 112 # SUP 0.23
QD PHE 60 - HG2 LYS+ 112 # SUP 0.23
HN LYS+ 66 - HG2 LYS+ 112 # SUP 0.02
Upper QE PHE 95 - HB2 GLN 116 3.78 7 0.47 1.13 + + + + +* + # peak 3269 # SUP 1.28
QD PHE 55 - HB2 GLN 116 # SUP 0.40
Upper HA ILE 119 - QB ALA 120 3.86 13 0.64 1.01 + *++++ + ++ ++++ # peak 3304 # SUP 4.93
HA ILE 119 - HD2 LYS+ 121 # SUP 2.35
Upper QD PHE 59 - HA ILE 119 3.28 9 0.63 1.64 * + + +++++ + # peak 3305 # SUP 2.25
Upper HD1 TRP 27 - QD1 LEU 73 4.29 9 0.53 0.98 ++++ +*+ ++ # peak 67 # SUP 3.26
HD1 TRP 27 - QD1 LEU 63 # SUP 0.11
Upper QD PHE 45 - QG1 VAL 75 4.50 11 0.61 1.44 +* + ++ ++ +++ + # peak 85 # SUP 1.05
QD PHE 45 - QD1 LEU 115 # SUP 0.47
Upper QE PHE 45 - QG1 VAL 75 4.87 10 0.69 1.74 *++ + + +++ ++ # peak 89 # SUP 1.00
QE PHE 45 - QD1 LEU 115 # SUP 0.47
Upper QD PHE 60 - QD2 LEU 73 4.32 6 0.40 1.48 + ++*+ + # peak 138 # SUP 1.64
QD1 ILE 56 - QD PHE 60 # SUP 0.24
Upper QD PHE 97 - QG1 VAL 107 4.34 8 0.55 1.42 + + + +++ *+ # peak 144 # SUP 0.99
QD PHE 97 - HG13 ILE 119 # SUP 0.55
QD PHE 97 - HD3 LYS+ 112 # SUP 0.08
Upper QD PHE 59 - HN LEU 115 5.24 12 0.64 1.64 + +++++ + *++ + + # peak 148 # SUP 2.23
Upper HB VAL 70 - HZ PHE 72 5.00 6 0.34 0.99 ++ *+ + + # peak 201 # SUP 3.30
Angle PSI GLY 16 355.00 15.00 11 5.79 18.91 + + ++++ +* +++
Angle PHI ILE 19 240.00 280.00 7 3.46 9.01 + +++ * + +
Angle PSI ILE 19 114.00 146.00 8 5.32 22.72 ++ *+ ++ ++
Angle PSI ALA 20 109.00 143.00 12 8.44 24.01 +++ +++ + + * +++
Angle PHI CYS 21 229.00 291.00 6 2.73 14.43 +++ + * +
Angle PSI CYS 21 107.00 163.00 20 17.23 22.13 ++++++++++*+++++++++
Angle PHI VAL 24 294.00 314.00 8 5.84 17.30 *++ + + +++
Angle PHI GLU- 25 288.00 308.00 7 3.20 13.40 ++ + + *++
Angle PSI GLU- 25 309.00 329.00 11 4.73 8.36 ++ ++ ++ + *+++
Angle PHI GLN 30 286.00 306.00 10 5.22 13.51 + +++ +* ++ ++
Angle PSI GLN 30 307.00 327.00 16 10.70 24.92 * +++++++++++ ++++
Angle PHI LEU 31 285.00 305.00 20 13.36 18.07 ++++++++++++++*+++++
Angle PSI LEU 31 310.00 330.00 9 5.03 11.80 ++* +++ + + +
Angle PHI GLN 32 286.00 306.00 14 8.18 16.89 + ++ *++++ +++ + + +
Angle PHI LYS+ 33 286.00 306.00 14 6.83 14.05 ++++* + ++ ++ ++++
Angle PSI ALA 34 311.00 331.00 6 4.37 10.34 + + * ++ +
Angle PSI GLU- 36 317.00 337.00 7 3.74 11.86 + + + +* + +
Angle PSI SER 37 350.00 10.00 6 7.24 38.80 * + + ++ +
Angle PHI LYS+ 38 47.00 67.00 7 4.05 15.72 ++ + + + +*
Angle PSI LYS+ 38 25.00 51.00 10 8.64 24.19 + + ++*+ +++ +
Angle PHI THR 39 230.00 288.00 17 14.01 25.86 ++++++++++ +++ ++* +
Angle PSI THR 39 117.00 143.00 12 9.42 35.69 + +++++ ++*+ + +
Angle PHI LEU 40 256.00 292.00 9 8.42 40.50 + ++++ +* + +
Angle PSI LEU 40 105.00 139.00 12 8.05 19.22 + ++* +++++ +++
Angle PHI VAL 41 234.00 270.00 9 7.73 28.13 ++ +++ + + * +
Angle PSI VAL 41 111.00 145.00 9 7.35 30.41 + + + + * + + ++
Angle PHI VAL 42 227.00 263.00 8 7.66 54.15 + ++++ + * +
Angle PSI VAL 42 110.00 132.00 15 13.45 43.30 ++++ + ++++ + *++++
Angle PHI VAL 43 228.00 266.00 14 12.28 34.00 + + ++++++ ++ +++*
Angle PSI VAL 43 116.00 160.00 20 25.19 73.43 ++++++++++++++*+++++
Angle PHI ASP- 44 239.00 279.00 11 12.99 37.13 ++++ +++*+ ++
Angle PSI ASP- 44 102.00 128.00 14 14.04 43.59 ++ ++ ++ *++++++ +
Angle PHI PHE 45 239.00 285.00 9 9.28 42.09 + + + +*+ + ++
Angle PSI PHE 45 119.00 145.00 11 10.35 42.44 +*++++ + + + + +
Angle PHI THR 46 205.00 237.00 11 9.10 30.23 + *+ + ++ +++ ++
Angle PSI THR 46 149.00 177.00 10 7.11 30.89 +++ + +*++ ++
Angle PHI ALA 47 225.00 275.00 9 5.47 24.43 ++* + ++ +++
Angle PSI ALA 47 109.00 151.00 7 3.33 9.41 +++ + +* +
Angle PSI SER 48 322.00 342.00 6 3.06 10.90 + + + + * +
Angle PSI PRO 52 313.00 329.00 6 3.66 15.49 *+ + ++ +
Angle PSI CYS 53 308.00 328.00 7 4.71 26.39 +++ ++ * +
Angle PHI ARG+ 54 282.00 302.00 7 3.43 21.72 + ++ * + ++
Angle PSI ARG+ 54 310.00 330.00 6 4.53 18.18 + + ++ + *
Angle PSI PHE 55 319.00 345.00 11 7.86 18.50 ++ ++ ++ +*++ +
Angle PSI PRO 58 317.00 327.00 14 8.42 26.37 ++ ++ ++*++ +++++
Angle PHI PHE 59 280.00 300.00 13 8.70 26.29 +++++ ++*+++ + +
Angle PSI PHE 59 313.00 333.00 9 7.48 20.11 + ++ + + + +* +
Angle PHI PHE 60 287.00 307.00 9 6.25 20.86 + ++ + ++ + +*
Angle PHI ALA 61 286.00 306.00 9 5.05 14.12 ++ * + + +++ +
Angle PSI ALA 61 312.00 332.00 7 2.82 8.64 + + +* + + +
Angle PHI ASP- 62 286.00 306.00 9 4.25 10.49 + + + + + ++* +
Angle PSI ASP- 62 307.00 327.00 6 3.18 12.76 * + + + + +
Angle PSI LEU 63 306.00 326.00 6 3.11 11.28 ++ + + + *
Angle PHI ALA 64 286.00 306.00 15 7.78 15.29 *+++++++++ + ++ ++
Angle PSI ALA 64 307.00 327.00 16 7.97 19.67 ++ +++ +++ +++++++ *
Angle PHI LYS+ 65 281.00 301.00 6 4.01 15.87 + +++* +
Angle PSI LYS+ 65 320.00 340.00 7 3.40 11.03 + + + + + +*
Angle PHI LYS+ 66 264.00 294.00 7 5.11 38.66 +* + ++ + +
Angle PSI LYS+ 66 320.00 354.00 6 4.78 19.31 ++ +* + +
Angle PSI VAL 70 114.00 134.00 15 9.32 23.47 + + *++ +++ +++++++
Angle PSI LEU 71 116.00 136.00 18 15.72 42.57 ++++++ +++++*++++++
Angle PHI PHE 72 237.00 271.00 18 15.51 40.88 +++++++++++++*++++
Angle PSI PHE 72 123.00 143.00 20 37.01 52.85 +++++++++++++*++++++
Angle PHI LEU 73 225.00 253.00 18 16.94 46.60 +++++++++++++*+++ +
Angle PSI LEU 73 132.00 166.00 20 32.91 56.93 +++++++++++++++++++*
Angle PHI LYS+ 74 213.00 255.00 20 33.44 43.00 ++++++++++++++++++*+
Angle PSI LYS+ 74 116.00 140.00 20 24.90 33.67 ++++++++++++++++++*+
Angle PHI VAL 75 228.00 266.00 7 5.98 19.77 + + + *++ +
Angle PSI VAL 75 118.00 138.00 10 8.61 31.15 + + ++ * ++ +++
Angle PHI ASP- 76 248.00 290.00 7 5.65 30.56 + + + *+ + +
Angle PSI ASP- 76 96.00 136.00 19 23.27 55.62 ++++++++++*++ ++++++
Angle PHI THR 77 288.00 308.00 18 20.33 36.42 +++++++*+++++ + ++++
Angle PSI THR 77 321.00 349.00 11 15.78 66.33 + ++++++ + +* +
Angle PHI ASP- 78 280.00 304.00 17 19.26 38.81 +++++++++*+ ++++++
Angle PSI ASP- 78 314.00 352.00 6 3.50 17.25 + + + ++ *
Angle PHI LYS+ 81 292.00 312.00 7 3.98 11.01 + + * +++ +
Angle PSI LYS+ 81 311.00 331.00 9 6.82 23.99 + + + ++++ * +
Angle PHI SER 82 280.00 300.00 7 5.64 17.38 +++ + + * +
Angle PSI VAL 83 303.00 323.00 13 6.50 13.92 + +++++ + *+++ ++
Angle PHI ALA 84 288.00 308.00 7 3.64 13.07 + + + ++ * +
Angle PHI SER 85 285.00 305.00 11 4.47 10.99 ++++ + +++* + +
Angle PSI ASP- 86 324.00 344.00 8 5.21 15.01 + + + *++ + +
Angle PHI TRP 87 253.00 289.00 6 3.37 9.25 * + + + + +
Angle PHI ALA 91 230.00 276.00 8 3.50 18.86 + ++ + *+ ++
Angle PSI PRO 93 128.00 154.00 9 6.69 31.79 ++ *++ + + + +
Angle PHI THR 94 210.00 250.00 8 6.67 33.35 + + ++ *+ + +
Angle PSI THR 94 127.00 161.00 8 5.96 31.42 ++ + ++ + *+
Angle PHI PHE 95 232.00 254.00 9 7.37 30.41 + ++ *+ ++ ++
Angle PSI PHE 95 122.00 144.00 9 6.88 28.82 ++++ + + + + *
Angle PHI MET 96 214.00 250.00 8 6.06 23.68 + +* +++ + +
Angle PSI PHE 97 118.00 138.00 12 5.84 18.00 +++ ++++ + ++*+
Angle PHI LYS+ 102 232.00 258.00 6 3.21 11.00 + + +++ *
Angle PHI ASP- 105 199.00 229.00 8 5.74 18.10 + +*+++ + +
Angle PSI ASP- 105 136.00 156.00 10 7.57 23.79 + ++ +*++ + ++
Angle PHI LYS+ 106 200.00 244.00 7 3.57 15.29 + + *+ ++ +
Angle PSI LYS+ 106 129.00 157.00 10 7.03 29.50 ++ ++ +++ +* +
Angle PHI VAL 107 216.00 244.00 15 17.91 51.12 ++++ ++ ++++ +*+++
Angle PSI VAL 107 121.00 145.00 13 8.15 17.19 + * + ++++ + ++ ++ +
Angle PHI VAL 108 242.00 276.00 10 6.78 30.33 * ++++ ++ ++ +
Angle PSI LYS+ 111 112.00 174.00 8 3.93 12.44 * ++ ++ + ++
Angle PHI LYS+ 112 291.00 311.00 8 3.50 9.42 + + + + +* + +
Angle PHI ASP- 113 288.00 308.00 14 6.50 32.95 +++++ ++ * +++ +++
Angle PHI GLU- 114 283.00 303.00 7 3.92 10.03 ++ + + ++ *
Angle PHI LEU 115 286.00 306.00 7 3.36 8.58 + * ++ + + +
Angle PHI GLN 116 286.00 306.00 7 4.18 16.86 ++ + + +*+
Angle PSI ILE 119 310.00 330.00 9 4.97 7.58 *+ + +++ +++
90 violated distance constraints.
106 violated angle constraints.
RMSDs for residues 16..123:
Average backbone RMSD to mean : 5.86 +/- 1.91 A (3.87..11.45 A)
Average heavy atom RMSD to mean : 6.29 +/- 1.93 A (4.37..11.85 A)