Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.59 39 0.0038 0.21 2 2.6 0.25 0 0.1662 1.55 2 0.60 54 0.0032 0.09 2 2.9 0.26 0 0.1459 1.34 3 0.66 43 0.0044 0.22 2 2.6 0.26 0 0.1400 1.39 4 0.66 40 0.0042 0.23 2 2.7 0.26 0 0.1425 1.23 5 0.69 55 0.0034 0.11 2 3.7 0.26 0 0.3081 2.67 6 0.69 50 0.0042 0.20 2 3.4 0.25 0 0.2578 2.55 7 0.69 54 0.0042 0.16 2 3.1 0.27 0 0.1735 1.69 8 0.69 68 0.0035 0.12 2 3.3 0.28 0 0.1648 1.64 9 0.69 63 0.0040 0.15 2 3.6 0.24 0 0.2817 2.52 10 0.69 66 0.0037 0.13 2 3.5 0.26 0 0.1694 1.64 11 0.71 56 0.0034 0.11 2 3.7 0.26 0 0.2646 2.46 12 0.73 58 0.0042 0.20 2 3.1 0.27 0 0.1437 1.33 13 0.73 61 0.0049 0.25 2 3.3 0.24 0 0.2778 2.62 14 0.75 47 0.0041 0.21 2 2.8 0.30 0 0.1829 1.82 15 0.76 46 0.0044 0.22 2 3.0 0.30 0 0.1887 1.71 16 0.76 76 0.0044 0.13 3 3.6 0.25 0 0.1814 1.55 17 0.77 49 0.0047 0.22 2 2.9 0.27 0 0.1675 1.63 18 0.77 66 0.0041 0.13 2 3.8 0.28 0 0.2673 2.35 19 0.81 52 0.0044 0.21 2 3.3 0.31 0 0.2876 3.02 20 0.82 69 0.0052 0.23 2 3.4 0.25 0 0.3073 3.04 Ave 0.71 56 0.0041 0.18 2 3.2 0.27 0 0.2109 1.99 +/- 6.01E-02 10 0.0005 0.05 0 0.4 0.02 0 0.0600 0.58 Min 0.59 39 0.0032 0.09 2 2.6 0.24 0 0.1400 1.23 Max 0.82 76 0.0052 0.25 3 3.8 0.31 0 0.3081 3.04 Cut 0.02 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA SER 13 - HB3 GLN 16 4.00 13 0.03 0.07 ++++ + + ++ + +*++ peak 5947 Upper QB ALA 14 - QG2 THR 17 4.30 18 0.04 0.11 +++ +++++ +++++++*++ peak 6306 Upper QB ALA 14 - QD2 LEU 41 3.95 18 0.03 0.09 + ++++++++++++++ *++ peak 8263 Upper HA GLU 15 - QG1 VAL 18 4.60 14 0.02 0.04 ++ +++*+++++ + ++ peak 6320 Upper HA GLN 16 - HG2 GLN 16 3.56 13 0.04 0.09 ++++ + + ++ + +*++ peak 1938 Upper HA GLN 16 - QG2 THR 19 4.48 14 0.02 0.04 ++ ++++ *++++ + + + peak 6378 Upper H THR 17 - QG2 THR 17 3.74 18 0.02 0.03 + +++++++*+++++++ ++ peak 1982 Upper QG1 VAL 18 - HG2 PRO 30 4.22 17 0.06 0.09 ++++++++*++++ +++ + peak 6368 Upper H THR 19 - QG2 THR 19 3.71 20 0.05 0.06 +++++++++++++++++*++ peak 830 Upper HG13 ILE 22 - H THR 23 4.76 17 0.04 0.07 +++++++++++ ++ ++* + peak 77 Upper HG13 ILE 22 - HB3 LEU 27 5.10 6 0.01 0.04 + * ++ + + peak 8481 Upper QD1 ILE 22 - HG2 GLU 28 4.98 6 0.01 0.06 + + * + ++ peak 6568 QD1 ILE 22 - HG3 GLU 28 QG2 ILE 63 - HG3 GLU 64 Upper QD1 ILE 22 - HB3 PRO 30 5.21 7 0.02 0.06 + *+ + + ++ peak 8033 Upper HA GLU 28 - HB3 SER 29 4.21 6 0.02 0.05 + *+ + + + peak 6579 Upper HB2 PRO 30 - H LYS 32 4.19 7 0.02 0.12 + + *+++ + peak 6611 Upper HD3 PRO 30 - HZ PHE 40 4.91 13 0.02 0.04 +++ + +*+++ +++ + peak 6589 Upper HA LYS 31 - HG3 LYS 31 3.54 8 0.03 0.10 + + + + *+ + + peak 2400 Upper H LYS 32 - H THR 33 4.39 14 0.04 0.11 + +++ + +++*+ ++++ peak 1445 Upper HA LYS 32 - HB THR 33 4.69 18 0.11 0.23 ++++++ ++++++++++ +* peak 6617 Upper HB2 LYS 32 - H THR 33 3.54 7 0.02 0.08 ++ ++ + +* peak 130 Upper H THR 33 - QG2 THR 33 3.62 7 0.05 0.15 *+ ++ + ++ peak 914 Upper HB THR 33 - H ILE 34 3.79 7 0.05 0.16 ++ ++ + *+ peak 5536 Upper HA ASP 36 - HG3 PRO 37 4.57 7 0.02 0.05 + ++ * + + + peak 6689 Upper HA GLU 38 - HB3 LEU 41 4.67 11 0.02 0.05 +++ +++ * ++++ peak 6007 Upper HB3 PHE 40 - H LEU 41 4.07 15 0.03 0.07 +++++ ++++ + + ++* + peak 5557 Upper H LEU 41 - QD2 LEU 41 3.81 7 0.02 0.04 + + + ++ + * peak 2805 Upper QD2 LEU 41 - HZ PHE 107 3.95 14 0.03 0.06 ++ + +++*+ + ++++ + peak 6768 Upper HG3 GLN 42 - H ALA 43 4.42 10 0.02 0.04 ++++++* + + + peak 180 Upper HB3 LEU 45 - H LYS 46 4.15 10 0.02 0.06 + + *++ + +++ + peak 977 Upper QD1 LEU 45 - H LYS 46 4.78 15 0.04 0.06 + +++++*++++ ++ + + peak 5582 Upper QD2 LEU 45 - H LYS 46 4.82 18 0.04 0.07 +++++++++*+++++ +++ peak 195 Upper HB3 ASP 47 - HG3 PRO 70 4.88 10 0.02 0.03 + +*++ ++ ++ + peak 8328 Upper QG2 VAL 49 - H ASN 79 5.37 13 0.02 0.05 ++ *+++ +++ + ++ + peak 7372 Upper QD1 LEU 55 - QD PHE 83 3.81 6 0.01 0.03 +* + + + + peak 7003 Upper H ILE 63 - H LYS 65 6.20 16 0.03 0.04 ++ * ++++++++ +++++ peak 7160 Upper H GLU 64 - HG3 GLU 64 4.04 17 0.06 0.09 ++ ++* ++++++++++++ peak 1078 Upper HD2 LYS 65 - H VAL 66 4.03 6 0.01 0.05 ++ * + + + peak 312 HD3 LYS 65 - H VAL 66 Upper H VAL 66 - QG2 VAL 66 4.03 8 0.01 0.04 + ++++ ++* peak 3675 Upper QG1 VAL 66 - HG3 PRO 68 4.08 18 0.06 0.10 +++++++ ++++++*++++ peak 7233 Upper QG1 VAL 66 - H GLU 69 5.34 11 0.02 0.05 +++ ++ +++ * + + peak 7241 Upper QG1 VAL 66 - HD22 ASN 79 4.72 20 0.07 0.09 +++++*++++++++++++++ peak 7200 Upper H GLU 69 - HB3 GLU 69 3.70 10 0.02 0.05 + +*+ +++ + + + peak 1103 Upper HG2 GLU 69 - HD3 PRO 70 5.22 15 0.04 0.07 + ++*++ +++++ ++ ++ peak 7247 Upper HG3 GLU 69 - HD3 PRO 70 5.38 13 0.03 0.06 + ++*+ ++++ ++ ++ peak 7248 Upper HG3 PRO 70 - HD21 ASN 79 4.49 11 0.02 0.05 *+ + + + +++ ++ + peak 7380 Upper HG3 PRO 70 - HD22 ASN 79 4.02 20 0.07 0.10 +++++++++++++++*++++ peak 7272 Upper HA3 GLY 86 - H GLY 88 4.03 11 0.02 0.04 +++ ++ + +*+++ peak 1706 Upper HA CYS 87 - QD2 LEU 91 4.84 6 0.02 0.04 + + +++ * peak 7587 Upper H LEU 91 - HA ARG 92 4.75 20 0.10 0.11 +++++++++++++++++++* peak 7583 Upper HB3 ARG 92 - H LEU 93 4.28 10 0.02 0.05 + + +* ++ + +++ peak 453 Upper QD2 LEU 93 - H GLU 94 4.03 20 0.06 0.07 ++++++++++++*+++++++ peak 5805 Upper QD PHE 96 - HB3 ASP 100 4.69 8 0.04 0.12 ++ * + + +++ peak 4819 Upper QB ALA 98 - QD TYR 102 4.89 10 0.03 0.06 +*+ +++ + +++ peak 4744 Upper HA THR 116 - HB3 LYS 119 4.06 7 0.02 0.04 ++ + ++ +* peak 6253 Upper HA LEU 117 - HB VAL 120 4.71 12 0.03 0.06 ++ ++ +++ + +* ++ peak 6258 Upper QG2 THR 121 - H ALA 122 4.01 6 0.01 0.03 * ++ + + + peak 5929 Upper QB ALA 122 - HB ILE 124 5.68 20 0.05 0.06 +++++++++*++++++++++ peak 8113 VdW HA SER 29 - CD PRO 30 2.60 20 0.26 0.31 ++++++++++++++++++*+ VdW HA TYR 67 - CD PRO 68 2.60 20 0.25 0.26 ++++*+++++++++++++++ 57 violated distance restraints. 2 violated van der Waals restraints. 0 violated angle restraints. RMSDs for residues 21..96: Average backbone RMSD to mean : 0.27 +/- 0.07 A (0.17..0.44 A; 20 structures) Average heavy atom RMSD to mean : 0.80 +/- 0.08 A (0.68..0.94 A; 20 structures)