Structural statistics:
str target upper limits van der Waals torsion angles
function # rms max # sum max # rms max
1 4.59 17 0.0239 0.48 2 10.7 0.30 1 1.1378 5.56
2 5.09 20 0.0239 0.53 4 12.2 0.28 4 1.1287 5.67
3 5.13 17 0.0237 0.44 3 12.7 0.30 3 1.2119 6.27
4 5.29 18 0.0243 0.51 3 11.9 0.30 6 1.3102 8.41
5 5.30 23 0.0248 0.40 4 12.8 0.26 2 1.1672 6.13
6 5.42 21 0.0239 0.44 6 12.5 0.31 2 1.2621 6.67
7 5.58 18 0.0261 0.54 3 11.8 0.31 2 1.1314 5.48
8 5.60 24 0.0252 0.41 4 13.2 0.30 2 1.2362 6.68
9 5.67 24 0.0259 0.48 5 12.9 0.30 2 1.0738 5.27
10 5.71 23 0.0260 0.44 4 12.3 0.30 2 1.0962 5.42
11 5.82 21 0.0250 0.47 5 13.5 0.31 3 1.2983 6.44
12 5.96 14 0.0241 0.71 3 13.1 0.35 3 1.7968 17.12
13 6.18 16 0.0265 0.73 5 13.0 0.30 2 1.5746 15.18
14 6.30 19 0.0256 0.51 7 15.4 0.31 1 1.1336 5.35
15 6.34 22 0.0269 0.49 3 13.8 0.30 5 1.5035 8.61
16 6.34 21 0.0273 0.71 6 13.3 0.31 4 1.2251 5.94
17 6.37 19 0.0266 0.58 4 13.9 0.39 3 1.1408 6.91
18 6.42 22 0.0266 0.67 4 14.1 0.30 2 1.7460 15.40
19 6.43 21 0.0259 0.53 10 14.7 0.31 2 1.3070 6.01
20 6.57 20 0.0252 0.66 9 14.2 0.32 2 1.6105 15.61
Ave 5.81 20 0.0254 0.54 5 13.1 0.31 3 1.3046 8.21
+/- 0.54 3 0.0011 0.10 2 1.1 0.03 1 0.2151 3.92
Min 4.59 14 0.0237 0.40 2 10.7 0.26 1 1.0738 5.27
Max 6.57 24 0.0273 0.73 10 15.4 0.39 6 1.7968 17.12
Cut 0.20 0.20 5.00
Constraints violated in 6 or more structures:
# mean max. 1 5 10 15 20
Upper HA ILE 32 - QD1 ILE 32 3.54 17 0.20 0.26 ++++++ ++ +++ +++*++ peak 2002
Upper H ASN 33 - QQD LEU 36 4.25 11 0.19 0.22 * + ++++ ++ +++ peak 351
Upper H VAL 34 - HB VAL 34 3.42 7 0.07 0.21 + ++ * + ++ peak 393
Upper H ILE 42 - QG2 ILE 42 3.50 7 0.18 0.27 + + + + ++ * peak 55
Upper HA ILE 42 - QQG VAL 75 4.07 9 0.21 0.29 ++ ++ + * +++ peak 2793
Upper QG2 ILE 42 - H LYS 74 4.34 20 0.34 0.48 ++++++++++++*+++++++ peak 2011
Upper QD1 ILE 42 - H VAL 43 4.63 15 0.23 0.37 +++++ ++ + + +*++++ peak 3258
Upper H VAL 43 - QG1 VAL 43 3.70 9 0.15 0.26 * +++ + + + ++ peak 1402
Upper QQG VAL 43 - H VAL 75 3.59 15 0.21 0.43 *+++++++ + +++ + + + peak 831
Upper H ALA 45 - H THR 46 3.99 20 0.28 0.42 +++++++++++++++++++* peak 507
Upper HA ALA 45 - H ARG 104 4.16 20 0.33 0.40 ++*+++++++++++++++++ peak 9
Upper H THR 46 - QQG VAL 75 4.82 13 0.21 0.30 +++ +*+++++ + + + peak 508
Upper QG2 THR 46 - H GLY 49 4.82 20 0.35 0.48 +++++++++++++++++++* peak 1181
Upper HG LEU 47 - HB THR 115 4.88 7 0.19 0.26 + + +* + + + peak 2447
Upper H ILE 63 - H TYR 116 4.86 6 0.18 0.28 + + + + + * peak 154
Upper H GLY 69 - H GLU 70 4.02 8 0.17 0.23 + +++ *++ + peak 638
Upper HA VAL 79 - QB LEU 84 4.35 9 0.20 0.30 + + ++++ + * + peak 576
Upper HB VAL 100 - H GLY 101 3.46 7 0.14 0.40 + + +*++ + peak 968
Upper H ILE 102 - HB ILE 102 3.59 14 0.22 0.30 +++ + +++++*++ + + peak 579
Upper H ARG 104 - H GLU 109 4.12 16 0.36 0.53 +++++++++++ ++++ * peak 251
Upper H ASP 106 - H SER 108 4.50 16 0.38 0.54 ++++++*++++ ++++ + peak 608
Upper H ASN 107 - H SER 108 3.02 16 0.23 0.36 +++++++++++ ++*+ + peak 424
Upper HB VAL 113 - H LYS 114 3.54 7 0.10 0.35 + ++ +* + + peak 1206
Upper QD PHE 132 - H GLU 134 4.41 11 0.20 0.34 ++ ++++ ++ ++* peak 182
Upper QD1 ILE 144 - H GLU 145 4.40 8 0.12 0.33 + * ++ + + ++ peak 2091
VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 ++++++*+++++++++++++
VdW CG2 ILE 144 - C ILE 144 2.90 12 0.21 0.31 + ++ +++ +* ++ + +
Angle PSI SER 44 123.00 143.00 12 4.49 6.67 ++++*++ ++ + ++
Angle PSI LEU 47 94.00 144.00 17 6.38 11.42 ++++ ++++ +++ +++*++
25 violated distance constraints.
2 violated angle constraints.
RMSDs for residues 18..123:
Average backbone RMSD to mean : 0.94 +/- 0.18 A (0.67..1.47 A; 20 structures)
Average heavy atom RMSD to mean : 1.57 +/- 0.19 A (1.27..2.01 A; 20 structures)