Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 14.34 46 0.0237 0.76 14 22.5 0.29 8 1.5246 10.07 2 14.38 42 0.0234 0.76 14 22.2 0.35 6 1.5278 10.59 3 14.57 45 0.0237 0.77 8 20.2 0.28 6 1.4595 9.59 4 14.76 51 0.0241 0.79 4 22.5 0.29 8 1.5520 9.24 5 14.79 50 0.0237 0.77 11 22.0 0.30 8 1.5573 10.28 6 14.88 42 0.0240 0.76 8 22.5 0.33 7 1.5385 10.01 7 14.90 53 0.0243 0.78 8 21.4 0.29 7 1.4770 9.00 8 14.95 44 0.0239 0.81 6 21.7 0.34 5 1.5240 11.01 9 14.99 44 0.0238 0.78 10 23.1 0.32 8 1.6466 11.57 10 15.10 52 0.0243 0.83 6 21.6 0.30 8 1.5471 8.79 11 15.11 47 0.0237 0.76 10 22.0 0.30 8 1.5299 10.05 12 15.15 47 0.0238 0.73 8 21.1 0.28 6 1.5236 9.80 13 15.19 54 0.0244 0.76 7 22.1 0.33 8 1.5636 10.05 14 15.22 49 0.0238 0.72 7 22.5 0.31 4 1.5057 9.77 15 15.37 46 0.0244 0.76 8 22.6 0.29 5 1.4483 9.79 16 15.40 42 0.0234 0.74 9 23.3 0.32 8 1.5170 10.18 17 15.44 44 0.0239 0.75 8 24.0 0.30 5 1.5529 9.91 18 15.52 49 0.0242 0.76 10 22.1 0.33 8 1.4644 9.64 19 15.52 49 0.0241 0.73 6 21.6 0.31 4 1.4661 9.87 20 15.55 45 0.0239 0.77 10 22.3 0.30 8 1.5007 9.71 Ave 15.06 47 0.0239 0.77 9 22.2 0.31 7 1.5213 9.95 +/- 0.36 4 0.0003 0.02 2 0.8 0.02 1 0.0447 0.61 Min 14.34 42 0.0234 0.72 4 20.2 0.28 4 1.4483 8.79 Max 15.55 54 0.0244 0.83 14 24.0 0.35 8 1.6466 11.57 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HZ PHE 47 - HG LEU 387 4.39 17 0.24 0.30 +++++ +++++*++ ++++ Upper QE TYR 52 - QB ALA 395 4.87 14 0.22 0.27 * + + + + +++++++++ Upper QE TYR 52 - QB LEU 396 3.81 10 0.20 0.22 ++* + ++ ++ ++ Upper HG LEU 62 - QG PRO 412 4.71 14 0.30 0.51 ++ ++ ++ +++++ +*+ Upper HE3 TRP 72 - QD2 LEU 73 4.92 20 0.53 0.57 ++++++++++++++++++*+ Upper HE1 TRP 72 - QD2 LEU 73 5.50 20 0.44 0.47 +++++++*++++++++++++ Upper HH2 TRP 72 - QB GLU 390 5.50 18 0.24 0.29 ++ ++*++++++++ +++++ Upper HA LEU 73 - QE MET 383 5.50 20 0.72 0.78 +++++++*++++++++++++ Upper QB LEU 73 - QG MET 83 5.18 19 0.25 0.30 +++++++++ ++*+++++++ Upper HB2 LEU 73 - QE MET 383 5.48 20 0.34 0.46 +++*++++++++++++++++ Upper QD1 LEU 73 - H MET 83 5.50 20 0.36 0.42 ++++++++++++++*+++++ Upper QQD LEU 73 - H LEU 86 4.57 14 0.21 0.26 *++ ++ ++++++++ + Upper QQD LEU 73 - HA LEU 86 5.44 7 0.19 0.25 +* + + ++ + Upper QD1 LEU 73 - QE MET 383 3.90 20 0.75 0.82 +++++++++*++++++++++ Upper QQD LEU 73 - QB LEU 384 4.37 19 0.24 0.29 ++*++++++ ++++++++++ Upper QD1 LEU 73 - QB LEU 384 5.10 15 0.27 0.39 +++ ++ ++++++*+++ Upper QD2 LEU 73 - H LEU 86 5.50 6 0.19 0.25 + *+ +++ Upper H ARG 78 - QE MET 83 4.18 20 0.49 0.58 +++++++++*++++++++++ Upper QB ARG 78 - QG MET 83 4.27 19 0.23 0.31 +*++++++++++++ +++++ Upper HA SER 79 - QE MET 83 5.12 8 0.20 0.32 ++ +* +++ + Upper HA LYS 80 - QE MET 83 3.50 13 0.21 0.27 + *++ +++++++++ Upper HA LYS 80 - QE MET 383 3.46 17 0.41 0.56 +++ +++ + ++++++*+++ Upper H GLU 81 - QE MET 83 5.48 20 0.55 0.58 +++++++++*++++++++++ Upper H GLN 82 - QE MET 83 5.37 6 0.18 0.22 ++ + +* + Upper QE MET 83 - HA LEU 373 5.50 20 0.72 0.78 +++++++*++++++++++++ Upper QE MET 83 - HB2 LEU 373 5.48 20 0.33 0.44 +++*++++++++++++++++ Upper QE MET 83 - QD1 LEU 373 3.90 20 0.75 0.83 +++++++++*++++++++++ Upper QE MET 83 - HA LYS 380 3.46 18 0.41 0.56 +++ +++++ ++++++*+++ Upper QB LEU 84 - QD1 LEU 373 5.10 17 0.30 0.43 ++++++ +++++*+++++ Upper QB LEU 84 - QQD LEU 373 4.37 19 0.25 0.33 +++++++++ ++++*+++++ Upper H LEU 86 - HB3 LEU 87 5.50 20 0.40 0.43 +++++++++*++++++++++ Upper HG LEU 87 - H VAL 88 4.49 19 0.38 0.43 +*++++++++++++ +++++ Upper HG LEU 87 - HZ PHE 347 4.39 16 0.24 0.33 ++ ++ +++++++* ++++ Upper QB GLU 90 - HH2 TRP 372 5.50 19 0.25 0.28 +++ +++++++*++++++++ Upper QB ALA 95 - QE TYR 352 4.87 14 0.21 0.27 * + + + + +++++++++ Upper QB LEU 96 - QE TYR 352 3.81 8 0.20 0.23 ++* + + ++ + Upper QD2 LEU 96 - HB3 GLN 101 5.50 20 0.24 0.25 +++++++++++++*++++++ Upper QG PRO 112 - HG LEU 362 4.71 14 0.30 0.50 ++ ++ ++ +++++ +*+ Upper HE3 TRP 372 - QD2 LEU 373 4.92 20 0.52 0.56 +++++++++++*++++++++ Upper HE1 TRP 372 - QD2 LEU 373 5.50 20 0.45 0.50 ++++++++++++++*+++++ Upper QB LEU 373 - QG MET 383 5.18 18 0.24 0.29 +++ +*+++ ++++++++++ Upper QD1 LEU 373 - H MET 383 5.50 20 0.37 0.44 ++*+++++++++++++++++ Upper QQD LEU 373 - H LEU 386 4.57 15 0.21 0.26 *+++++ +++++ ++++ Upper QQD LEU 373 - HA LEU 386 5.44 9 0.20 0.26 + +*+ + + +++ Upper QD2 LEU 373 - H LEU 386 5.50 6 0.19 0.24 + *+ +++ Upper H ARG 378 - QE MET 383 4.18 20 0.49 0.58 +++++++++*++++++++++ Upper QB ARG 378 - QG MET 383 4.27 19 0.23 0.31 +*++++++++++++ +++++ Upper HA SER 379 - QE MET 383 5.12 10 0.20 0.32 ++ +* + +++ + + Upper HA LYS 380 - QE MET 383 3.50 13 0.21 0.28 + +++ +*+++++++ Upper H GLU 381 - QE MET 383 5.48 20 0.55 0.58 +++++++++*++++++++++ Upper H GLN 382 - QE MET 383 5.37 6 0.18 0.21 + + * ++ + Upper H LEU 386 - HB3 LEU 387 5.50 20 0.40 0.43 +++*++++++++++++++++ Upper HG LEU 387 - H VAL 388 4.49 20 0.40 0.44 ++++++++++++++*+++++ Upper QD2 LEU 396 - HB3 GLN 401 5.50 20 0.23 0.25 +++++++*++++++++++++ VdW O LEU 73 - C ARG 74 2.80 20 0.30 0.35 +*++++++++++++++++++ VdW HB3 PRO 75 - CE MET 83 2.60 13 0.22 0.27 ++ ++ +++*+++++ VdW O SER 79 - SD MET 83 3.10 20 0.26 0.28 ++++++++++++++*+++++ VdW CG HIS 351 - C HIS 351 2.90 7 0.16 0.22 * + + + ++ + VdW O LEU 373 - C ARG 374 2.80 20 0.30 0.33 +++++++*++++++++++++ VdW HB3 PRO 375 - CE MET 383 2.60 13 0.23 0.29 ++ +* +++++++++ VdW O SER 379 - SD MET 383 3.10 20 0.26 0.29 ++++++++++++++*+++++ Angle PHI GLU 81 -73.00 -53.00 20 9.84 11.57 ++++++++*+++++++++++ Angle PSI GLN 82 -48.00 -28.00 7 4.71 6.59 + ++ ++*+ Angle PSI MET 83 -52.00 -32.00 9 4.93 6.60 ++ ++ * ++ + + Angle PHI LEU 86 -74.00 -54.00 8 4.70 5.39 ++ + + + * + + Angle PHI VAL 88 -78.00 -58.00 17 5.82 7.33 +*+++ ++ ++++++++++ Angle PHI GLU 381 -73.00 -53.00 20 9.86 11.53 ++++++++*+++++++++++ Angle PSI GLN 382 -48.00 -28.00 7 4.73 6.64 + +++ +*+ Angle PSI MET 383 -52.00 -32.00 9 5.12 6.60 + ++ * ++ + + + Angle PHI LEU 386 -74.00 -54.00 9 4.80 5.34 ++ +++ * + + + Angle PHI VAL 388 -78.00 -58.00 18 5.98 7.24 +*++++ ++ ++++++++++ 54 violated distance constraints. 10 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.43 +/- 0.20 A (0.18..0.92 A; 20 structures) Average heavy atom RMSD to mean : 0.83 +/- 0.14 A (0.65..1.19 A; 20 structures)