Structural statistics:
str target upper limits van der Waals torsion angles
function # sum max # sum max # sum max
1 77.02 6 84.1 2.20 39 36.5 0.50 44 607.3 35.31
2 78.72 5 81.5 2.44 50 38.3 0.68 30 498.9 26.34
3 83.53 5 85.0 2.35 32 36.6 0.58 43 591.0 28.42
4 99.47 4 95.9 2.23 65 50.3 0.67 44 698.1 39.35
5 100.30 5 99.2 2.28 54 45.2 0.62 45 582.3 30.11
6 102.08 5 92.0 2.46 40 37.7 0.58 45 817.7 63.23
7 105.96 6 98.7 2.41 62 47.6 0.62 54 754.2 30.20
8 106.47 7 99.0 2.13 58 43.9 0.81 37 645.6 44.53
9 110.61 4 93.9 2.41 64 47.3 0.59 53 919.1 38.07
10 114.20 6 106.0 2.20 65 48.6 0.61 45 793.6 47.40
11 119.73 5 91.8 2.29 52 44.7 0.67 52 1089.7 61.80
12 120.23 4 101.1 2.86 54 43.9 0.64 46 829.3 80.87
13 122.51 5 106.3 2.71 69 52.3 0.57 49 846.1 43.33
14 123.49 5 104.6 2.09 80 56.6 0.74 55 869.3 46.87
15 129.37 7 105.5 3.29 56 44.8 0.65 39 746.9 70.26
16 129.90 4 108.3 2.40 80 59.2 0.63 56 985.6 81.68
17 131.51 5 107.2 2.58 64 50.2 0.66 57 998.4 70.59
18 132.16 5 110.1 2.50 61 45.8 0.50 47 853.8102.44
19 132.89 5 106.6 2.12 82 59.6 0.66 62 1095.2 50.15
20 135.91 7 110.0 2.08 80 61.0 0.76 54 906.8 67.52
Ave 112.80 5 99.3 2.40 60 47.5 0.64 48 806.4 52.92
+/- 17.86 1 8.6 0.29 14 7.3 0.07 7 164.1 20.45
Min 77.02 4 81.5 2.08 32 36.5 0.50 30 498.9 26.34
Max 135.91 7 110.1 3.29 82 61.0 0.81 62 1095.2102.44
Constraints violated in 6 or more structures:
Cutoffs: Upper distance limits : 1.50 A
Lower distance limits : 0.20 A
Angle constraints : 5.00 deg
# mean max. 1 5 10 15 20
Upper HA ALA 20 - HN THR 23 4.03 13 1.69 2.40 +++++ + +++ ++ * + # peak 328 # SUP 2.18
HN THR 23 - HA LEU 71 # SUP 0.34
Upper HZ PHE 72 - HB VAL 75 4.54 14 1.82 3.29 +++++ ++ + ++ *++ + # peak 2233 # SUP 2.70
Upper HB VAL 41 - HB VAL 42 3.63 14 1.35 2.10 +++++ +++ +*++ + + # peak 2583 # SUP 3.89
HB VAL 42 - HB2 LEU 71 # SUP 0.77
Upper QG1 VAL 107 - HB ILE 119 3.68 7 1.38 1.95 + + + +++ * # peak 3185 # SUP 0.82
QG1 VAL 107 - HB VAL 108 # SUP 4.08
HG2 PRO 58 - QG1 VAL 107 # SUP 0.27
Upper HA THR 118 - QG2 ILE 119 3.53 15 1.82 2.46 +++ +*+++++++ + ++ # peak 3285 # SUP 5.75
QD2 LEU 71 - HA THR 118 # SUP 0.71
Upper HA THR 118 - HG12 ILE 119 4.27 8 1.43 2.06 +++ + ++* + # peak 3289 # SUP 6.66
QG GLN 90 - HA THR 118 # SUP 0.30
Angle PHI VAL 18 248.00 288.00 6 4.02 17.19 + + +++ *
Angle PSI ILE 19 107.00 129.00 6 3.80 13.46 +* ++ + +
Angle PSI ALA 20 113.00 151.00 16 9.28 17.22 * +++++ ++++++++ ++
Angle PSI CYS 21 114.00 142.00 20 25.30 47.40 +++++++++*++++++++++
Angle PHI VAL 24 283.00 303.00 10 4.84 15.16 ++ ++ * + + ++ +
Angle PHI ASN 28 285.00 305.00 8 4.65 14.18 ++ + +++ +*
Angle PSI GLU- 29 312.00 334.00 6 3.97 9.39 ++ + * + +
Angle PHI LEU 31 286.00 306.00 10 6.96 20.67 + + +++++* + +
Angle PHI GLN 32 283.00 303.00 10 6.68 19.44 + + ++ * +++++
Angle PHI LYS+ 33 287.00 307.00 10 7.25 24.89 + + +*+ ++ ++ +
Angle PHI ALA 34 286.00 306.00 8 5.01 13.50 + + +++++ *
Angle PSI ALA 34 308.00 328.00 19 8.94 20.10 +++++++++++ ++++++*+
Angle PHI SER 37 258.00 294.00 10 6.11 37.37 ++ +++ + + + *+
Angle PSI LEU 40 95.00 135.00 9 5.30 19.29 +++ ++ * ++ +
Angle PSI VAL 41 115.00 145.00 13 9.11 30.91 +++ + ++++ ++++ *
Angle PHI VAL 42 232.00 260.00 13 9.40 26.63 + ++ + + ++ *+++++
Angle PSI VAL 42 118.00 142.00 9 7.40 23.05 + +*+ + +++ +
Angle PHI VAL 43 232.00 262.00 11 6.60 36.22 ++ + + *++ + ++ +
Angle PSI VAL 43 117.00 145.00 10 9.65 41.06 ++ ++ + +* +++
Angle PSI ASP- 44 93.00 133.00 6 4.68 33.05 ++ *+ + +
Angle PHI PHE 45 240.00 296.00 6 3.83 21.80 ++ * + ++
Angle PSI PHE 45 117.00 137.00 11 10.45 34.76 ++ +++++* + ++
Angle PHI THR 46 220.00 256.00 11 8.73 34.45 +++ +*++++ ++
Angle PSI THR 46 131.00 157.00 6 2.52 7.88 + + + ++ *
Angle PSI TRP 49 352.00 24.00 7 3.50 10.55 * + ++ + + +
Angle PSI CYS 53 306.00 326.00 6 4.06 21.00 +++ * + +
Angle PHI ARG+ 54 281.00 301.00 10 5.23 11.60 * + ++++ + ++ +
Angle PSI ARG+ 54 313.00 333.00 10 4.64 21.09 + ++*++ +++ +
Angle PSI ILE 56 351.00 19.00 7 6.00 19.42 +++ + *+ +
Angle PSI PRO 58 315.00 333.00 9 6.55 33.61 + + + + + + + *+
Angle PHI PHE 59 285.00 305.00 11 9.48 31.72 +++++ + + + + * +
Angle PSI PHE 59 308.00 328.00 7 6.71 29.70 + + * + +++
Angle PHI PHE 60 285.00 305.00 8 5.36 23.46 + + ++ + *+ +
Angle PSI PHE 60 308.00 328.00 10 6.32 24.18 ++++ + + + + *+
Angle PHI ALA 61 288.00 308.00 6 3.29 9.15 * + + + ++
Angle PSI ASP- 62 307.00 327.00 12 6.33 12.38 ++ ++++ + ++* ++
Angle PHI LEU 63 281.00 301.00 7 4.77 16.01 + + + ++ +*
Angle PSI LEU 63 312.00 332.00 12 10.38 27.92 ++++ +*++ + + + +
Angle PSI ALA 64 308.00 328.00 8 7.89 31.37 + + *++++ +
Angle PHI LYS+ 65 283.00 303.00 8 6.22 30.37 + + ++ * +++
Angle PSI LYS+ 65 315.00 343.00 6 3.34 13.26 + ++ + * +
Angle PHI LEU 67 225.00 271.00 7 3.99 12.13 +* + + ++ +
Angle PSI VAL 70 112.00 142.00 12 9.20 33.71 +++ + ++ + +* ++ +
Angle PSI LEU 71 108.00 138.00 20 35.75 80.87 +++++++++++*++++++++
Angle PHI PHE 72 244.00 272.00 15 17.04 46.87 +++++++++++ * + ++
Angle PSI PHE 72 122.00 146.00 19 33.88 81.68 +++++++++++++++*+ ++
Angle PHI LEU 73 228.00 256.00 20 30.37 102.44 +++++++++++++++++*++
Angle PSI LEU 73 139.00 165.00 19 28.39 66.11 ++ ++++++++*++++++++
Angle PHI LYS+ 74 222.00 248.00 20 25.67 52.48 +++++++++++++++++++*
Angle PSI LYS+ 74 113.00 139.00 9 9.13 52.91 ++ + + +* + ++
Angle PHI VAL 75 236.00 284.00 6 4.11 23.33 + + *++ +
Angle PSI VAL 75 111.00 133.00 6 4.51 18.42 + + + ++ *
Angle PHI ASP- 76 246.00 300.00 8 4.33 25.01 + + * + +++ +
Angle PSI ASP- 76 103.00 131.00 9 6.15 15.75 + + +++* + ++
Angle PSI ILE 89 103.00 143.00 6 3.01 8.61 + + + + *+
Angle PSI ALA 91 131.00 161.00 15 19.36 43.33 + ++ + ++ ++*+ +++++
Angle PHI MET 92 230.00 272.00 16 18.91 41.77 + ++ +++++++*+ ++++
Angle PSI MET 92 101.00 153.00 13 12.21 30.34 + ++++ ++ +* + +++
Angle PSI THR 94 114.00 146.00 8 7.30 43.99 + +++ + + + *
Angle PHI MET 96 213.00 245.00 9 5.10 17.19 +*+++ ++ + +
Angle PSI PHE 97 121.00 145.00 8 5.92 17.21 + ++ + ++ + *
Angle PHI LEU 98 224.00 252.00 7 4.83 21.53 + + + + ++*
Angle PHI LYS+ 106 209.00 251.00 8 4.19 12.88 *+ +++ ++ +
Angle PHI VAL 107 225.00 245.00 10 4.47 9.21 ++ + +*++ + + +
Angle PSI VAL 107 109.00 145.00 15 8.22 17.54 +++*+++++ ++ + ++ +
Angle PHI VAL 108 247.00 289.00 13 8.00 20.15 ++ + +*++ +++ +++
Angle PHI ASP- 113 285.00 305.00 9 5.45 19.76 * + + + + + + ++
Angle PHI GLN 116 285.00 305.00 11 5.84 15.09 + + + + *+++ +++
Angle PSI SER 117 304.00 330.00 6 2.97 11.90 ++ * + ++
Angle PHI ILE 119 286.00 306.00 10 6.76 18.88 ++ +* + ++ +++
6 violated distance constraints.
70 violated angle constraints.
RMSDs for residues 11..124:
Average backbone RMSD to mean : 5.60 +/- 1.63 A (3.31..9.18 A)
Average heavy atom RMSD to mean : 6.07 +/- 1.61 A (3.86..9.71 A)