Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.40 26 0.0040 0.14 1 2.1 0.25 0 0.2271 1.08 2 0.42 27 0.0042 0.22 1 2.1 0.26 0 0.1550 0.97 3 0.44 27 0.0035 0.17 1 2.0 0.30 0 0.1346 0.63 4 0.46 23 0.0043 0.21 1 2.0 0.30 0 0.1513 0.78 5 0.48 34 0.0046 0.20 1 2.2 0.30 0 0.1676 0.62 6 0.50 31 0.0043 0.20 1 2.3 0.30 0 0.1572 0.82 7 0.51 33 0.0047 0.15 1 2.2 0.31 0 0.2219 1.04 8 0.55 23 0.0049 0.30 1 2.4 0.26 0 0.2475 1.47 9 0.56 36 0.0048 0.21 1 2.4 0.31 0 0.2283 1.06 10 0.56 31 0.0056 0.28 1 2.2 0.29 0 0.2602 1.11 11 0.57 41 0.0051 0.19 1 2.7 0.25 0 0.2085 1.15 12 0.59 31 0.0064 0.31 1 2.2 0.24 0 0.2068 0.95 13 0.60 32 0.0050 0.19 1 2.7 0.31 0 0.1954 0.91 14 0.69 31 0.0067 0.32 1 2.1 0.30 0 0.1412 0.80 15 0.69 27 0.0070 0.32 1 2.0 0.31 0 0.1449 0.60 16 0.69 39 0.0060 0.28 1 2.7 0.30 0 0.1747 1.12 17 0.71 43 0.0063 0.30 1 3.0 0.27 0 0.1304 0.82 18 0.78 32 0.0068 0.32 1 2.6 0.31 0 0.2323 1.24 19 0.80 42 0.0067 0.31 1 2.6 0.31 0 0.2797 1.54 20 0.82 35 0.0075 0.40 1 3.0 0.25 0 0.1807 0.93 Ave 0.59 32 0.0054 0.25 1 2.4 0.29 0 0.1923 0.98 +/- 0.13 6 0.0011 0.07 0 0.3 0.02 0 0.0437 0.25 Min 0.40 23 0.0035 0.14 1 2.0 0.24 0 0.1304 0.60 Max 0.82 43 0.0075 0.40 1 3.0 0.31 0 0.2797 1.54 Cut 0.02 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB2 ARG 16 - H LEU 17 3.85 16 0.04 0.09 ++++++++++ + +* +++ peak 6105 Upper QD1 ILE 19 - QD1 LEU 20 4.00 6 0.02 0.03 + + * + + + peak 7440 Upper HA LEU 20 - QD2 LEU 20 3.26 8 0.02 0.04 + + ++ + *++ peak 380 Upper H MET 27 - QE MET 27 3.92 8 0.02 0.08 + ++ + + * + + peak 6310 Upper H ASN 28 - HB2 ASN 28 3.35 10 0.04 0.12 + +++ + ++ +* + peak 6321 Upper HD22 ASN 28 - QG2 VAL 67 4.16 10 0.05 0.15 + +++ + + ++ * + peak 7595 Upper H ILE 33 - HG13 ILE 33 3.76 20 0.11 0.16 +++++++++++*++++++++ peak 6397 Upper QG2 ILE 33 - HA GLN 71 4.64 9 0.02 0.04 + ++ + +++*+ peak 7715 Upper HA ASN 34 - HD22 ASN 34 3.72 7 0.02 0.06 + + * + ++ + peak 1049 Upper HB3 LEU 35 - H ARG 36 3.82 10 0.02 0.06 +++++ + ++ +* peak 6445 Upper HA ARG 36 - QB ALA 39 3.35 17 0.03 0.07 +++++++ +++ ++++*+ + peak 1338 Upper HA ARG 36 - H GLU 40 4.76 9 0.02 0.06 ++++ + * ++ + peak 6519 Upper H LYS 37 - HD2 LYS 37 3.53 20 0.16 0.21 +++++++++*++++++++++ peak 6475 Upper HA LYS 37 - HE2 LYS 37 5.94 6 0.03 0.13 ++ ++ + * peak 1261 Upper HE2 LYS 37 - QD2 LEU 41 4.81 10 0.02 0.05 +++ *+ ++ ++ + peak 7981 Upper QB ALA 39 - QG1 VAL 53 4.97 19 0.05 0.08 + ++++*+++++++++++++ peak 8229 Upper HA LEU 41 - QG2 VAL 78 5.21 8 0.02 0.06 + + + +* ++ + peak 7968 Upper HB3 LEU 41 - HA ALA 79 4.94 18 0.06 0.11 ++++++++++ +++*++++ peak 8866 Upper H GLU 49 - H GLY 52 4.96 20 0.04 0.05 +++++++++++++++++*++ peak 8134 Upper QG1 VAL 50 - QG1 VAL 53 3.77 19 0.04 0.06 ++++++ *++++++++++++ peak 8232 Upper QG2 THR 55 - QE MET 59 4.12 6 0.01 0.03 * + + + + + peak 8293 Upper HA GLU 56 - H GLY 58 4.01 9 0.02 0.05 +* ++++ + + + peak 6760 Upper HG2 GLU 56 - HA ALA 77 4.75 18 0.04 0.07 ++ +++*++++++++++++ peak 8804 Upper HB3 MET 59 - QE MET 59 3.33 19 0.04 0.08 *+++++++++ +++++++++ peak 1922 Upper H GLU 64 - HA ARG 65 4.42 7 0.02 0.03 + + + * +++ peak 8511 Upper QG2 VAL 67 - H HIS 68 3.96 6 0.01 0.06 + + + + * + peak 6927 Upper HB2 HIS 68 - QG2 THR 70 4.00 7 0.02 0.07 ++ + + + *+ peak 8593 Upper H THR 70 - HB2 ASP 73 3.76 7 0.01 0.06 + + + + + +* peak 8654 Upper HG3 GLU 75 - H MET 76 4.04 9 0.03 0.11 +++ + ++ *+ + peak 7061 Upper HA MET 76 - H ALA 79 3.56 18 0.04 0.08 +++++++++++++ ++* ++ peak 7102 Upper QB ALA 77 - HG2 LYS 80 4.45 20 0.16 0.22 +*++++++++++++++++++ peak 8810 Upper QG2 VAL 78 - QG1 VAL 81 4.96 20 0.07 0.10 ++++++++*+++++++++++ peak 8900 Upper HA LYS 80 - HD2 LYS 80 4.61 6 0.04 0.15 +++ + +* peak 2629 VdW CG2 ILE 33 - C ILE 33 2.90 20 0.29 0.31 ++++++++*+++++++++++ 33 violated distance restraints. 1 violated van der Waals restraint. 0 violated angle restraints. RMSDs for residues 12..82: Average backbone RMSD to mean : 0.30 +/- 0.07 A (0.19..0.46 A; 20 structures) Average heavy atom RMSD to mean : 0.85 +/- 0.09 A (0.74..1.07 A; 20 structures)