Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 4.49 13 0.0265 0.27 5 10.2 0.31 19 2.6998 12.29 2 4.75 14 0.0334 0.45 6 10.8 0.33 19 2.4712 14.44 3 5.38 14 0.0312 0.39 8 10.8 0.38 21 2.8231 12.90 4 5.44 15 0.0454 0.60 5 11.3 0.33 18 2.5410 13.28 5 5.60 9 0.0284 0.34 7 10.7 0.47 18 2.8937 16.99 6 5.73 15 0.0293 0.44 10 11.7 0.44 23 2.7945 12.55 7 5.87 13 0.0236 0.24 11 12.7 0.45 17 2.7350 15.05 8 5.89 16 0.0329 0.42 9 14.3 0.47 17 2.6295 14.06 9 6.11 22 0.0427 0.50 6 11.9 0.30 17 2.9033 18.47 10 6.28 16 0.0438 0.63 10 13.0 0.33 16 2.6016 15.41 11 6.40 21 0.0451 0.73 9 13.4 0.27 14 2.6918 15.32 12 6.40 15 0.0301 0.37 12 14.1 0.43 15 2.5970 14.34 13 6.43 19 0.0515 0.69 9 12.1 0.30 14 2.5270 15.91 14 6.66 13 0.0300 0.44 12 13.8 0.46 14 2.6274 15.14 15 6.74 23 0.0474 0.55 5 11.0 0.31 16 3.1997 20.59 16 7.02 20 0.0468 0.50 9 13.1 0.43 20 2.9532 13.68 17 7.12 19 0.0461 0.56 8 13.4 0.33 19 3.0548 14.84 18 7.14 19 0.0434 0.60 11 15.7 0.32 19 2.9273 20.24 19 7.17 19 0.0453 0.56 9 13.3 0.42 22 3.0104 13.47 20 7.23 13 0.0348 0.43 10 13.5 0.45 22 3.3092 14.54 Ave 6.19 16 0.0379 0.49 9 12.5 0.38 18 2.7995 15.17 +/- 0.78 4 0.0083 0.13 2 1.4 0.07 3 0.2240 2.26 Min 4.49 9 0.0236 0.24 5 10.2 0.27 14 2.4712 12.29 Max 7.23 23 0.0515 0.73 12 15.7 0.47 23 3.3092 20.59 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB3 LEU 47 - HA PHE 50 5.50 7 0.12 0.44 ++ + + * + + peak 1520 Upper QD1 LEU 47 - H VAL 64 5.50 6 0.05 0.32 + + +*+ + peak 1323 Upper QD1 LEU 47 - QG2 VAL 71 3.33 7 0.12 0.63 ++ + +* + + peak 1779 Upper QD2 LEU 47 - H PHE 50 4.06 17 0.30 0.73 ++++ + +++*++ ++++++ peak 1529 Upper H LYS 68 - HA GLU 85 4.71 6 0.06 0.19 + *+ ++ + peak 382 Upper H GLU 96 - HA ASN 120 5.50 14 0.20 0.56 +++ +++ ++ + +++*+ peak 888 Upper HA GLU 96 - H ASN 120 5.50 11 0.13 0.37 + ++ ++ +*+++ + peak 1371 Upper HB3 ARG 97 - H THR 115 4.01 10 0.11 0.26 + +++ + ++* ++ peak 544 Upper HD21 ASN 120 - HA ALA 122 4.26 7 0.09 0.23 + * ++++ + peak 1589 Upper HB2 PHE 132 - H LYS 149 5.50 14 0.11 0.15 *+ +++++ + + ++ +++ peak 968 Upper H LYS 141 - HB3 LYS 142 4.74 6 0.08 0.24 + + * + + + peak 1074 Upper HA PHE 143 - HG3 GLU 145 4.17 6 0.12 0.34 + ++ + +* peak 1173 Upper H ILE 144 - HB THR 146 4.87 8 0.09 0.18 +++ + * ++ + peak 1086 Upper HG3 GLU 145 - H LYS 148 5.50 18 0.16 0.24 ++++ +++++++*++++ ++ peak 1101 VdW HA THR 39 - CD PRO 40 2.60 6 0.19 0.30 +++ + + * VdW CG2 ILE 42 - CD1 ILE 42 3.00 6 0.07 0.27 + *+ + + + VdW HA LEU 47 - CD PRO 48 2.60 13 0.23 0.31 +++ +++ ++ + +* + + VdW O PRO 48 - C GLY 49 2.80 7 0.18 0.47 + +* + + + + VdW HA VAL 64 - CD PRO 65 2.60 6 0.18 0.25 + + + + * + VdW CG2 ILE 119 - C ILE 119 2.90 9 0.13 0.33 + * +++++ + + VdW CG2 ILE 144 - CD1 ILE 144 3.00 20 0.26 0.26 ++++++*+++++++++++++ VdW CG2 ILE 150 - C ILE 150 2.90 7 0.14 0.33 + + + + * + + Angle PSI PRO 48 133.00 147.00 14 5.68 9.43 ++ ++++ ++ *+ ++ ++ Angle PSI TYR 116 108.00 138.00 14 5.78 9.72 +++++++ ++ +++*+ Angle PHI MET 117 -145.00 -107.00 13 4.89 9.28 ++++++ ++ ++++* Angle PSI TRP 118 117.00 157.00 12 6.43 14.55 +++ +++ ++ +* ++ Angle PHI ILE 119 -72.00 -52.00 11 5.45 14.42 + + +++ ++ ++ +* Angle PSI TRP 135 -52.00 -32.00 16 6.05 9.86 +++ ++++++ ++ ++++* Angle PSI LYS 136 -52.00 -32.00 18 6.54 14.06 ++++ +++ +++++*+++++ Angle PSI ARG 137 -51.00 -31.00 13 4.98 6.75 ++ + +*+ + ++ ++++ Angle PHI LEU 138 -91.00 -71.00 14 5.38 7.66 + +++*++++ + ++++ Angle PSI HIS 139 -41.00 -1.00 20 14.78 20.59 ++++++++++++++*+++++ Angle PHI LYS 140 -70.00 -50.00 20 7.45 9.60 ++++++++++++++*+++++ Angle PHI LYS 142 -75.00 -55.00 13 5.11 12.00 ++++ + + *++ + + ++ Angle PSI LYS 142 -49.00 -29.00 19 9.71 15.41 +++++++++* +++++++++ Angle PHI PHE 143 -76.00 -56.00 18 6.94 10.29 ++ +++*+++ +++++++++ Angle PSI PHE 143 -54.00 -34.00 14 5.71 15.32 ++++++ + *+ ++ +++ Angle PHI ILE 144 -73.00 -53.00 8 4.75 10.71 + ++ *+ ++ + Angle PHI GLU 145 -71.00 -51.00 20 9.64 10.85 *+++++++++++++++++++ Angle PSI THR 146 -48.00 -28.00 17 6.95 10.21 *+++ +++++ ++++++ ++ Angle PHI PHE 147 -77.00 -57.00 20 6.61 8.30 +++++++++++*++++++++ 14 violated distance constraints. 19 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 7.94 +/- 1.30 A (6.12..10.51 A) Average heavy atom RMSD to mean : 8.51 +/- 1.33 A (6.65..11.14 A)