5.21351. Structure annealed in 31 s, f = 0.862587. Structure annealed in 32 s, f = 0.558670. Structure annealed in 34 s, f = 135.631. Structure annealed in 31 s, f = 0.919757. Structure annealed in 32 s, f = 0.846701. Structure annealed in 32 s, f = 1.40726. Structure annealed in 32 s, f = 1.00502. Structure annealed in 32 s, f = 2.88027. Structure annealed in 33 s, f = 0.576916. Structure annealed in 34 s, f = 142.815. Structure annealed in 32 s, f = 0.677384. Structure annealed in 26 s, f = 1.74106. Structure annealed in 31 s, f = 1.31748. Structure annealed in 31 s, f = 0.870261. Structure annealed in 32 s, f = 2.59555. Structure annealed in 33 s, f = 157.160. Structure annealed in 32 s, f = 0.885096. Structure annealed in 32 s, f = 0.668427. Structure annealed in 32 s, f = 11.2345. Structure annealed in 32 s, f = 1.32790. Structure annealed in 32 s, f = 1.08562. Structure annealed in 32 s, f = 2.42165. Structure annealed in 33 s, f = 0.745730. Structure annealed in 32 s, f = 0.995286. Structure annealed in 33 s, f = 0.947646. Structure annealed in 34 s, f = 195.435. Structure annealed in 32 s, f = 1.04040. Structure annealed in 32 s, f = 0.968409. Structure annealed in 32 s, f = 0.563616. Structure annealed in 33 s, f = 0.870613. Structure annealed in 32 s, f = 0.816595. Structure annealed in 32 s, f = 9.49138. Structure annealed in 32 s, f = 0.918313. Structure annealed in 32 s, f = 0.558163. Structure annealed in 32 s, f = 0.996643. Structure annealed in 34 s, f = 143.928. Structure annealed in 26 s, f = 0.713891. Structure annealed in 33 s, f = 183.194. Structure annealed in 32 s, f = 0.727877. Structure annealed in 32 s, f = 0.725449. Structure annealed in 32 s, f = 0.713254. Structure annealed in 32 s, f = 2.56575. Structure annealed in 32 s, f = 2.18575. Structure annealed in 32 s, f = 3.09864. Structure annealed in 34 s, f = 152.086. Structure annealed in 31 s, f = 1.28918. Structure annealed in 32 s, f = 1.04327. Structure annealed in 32 s, f = 0.801833. Structure annealed in 32 s, f = 0.676772. Structure annealed in 32 s, f = 5.19178. Structure annealed in 32 s, f = 1.09251. Structure annealed in 33 s, f = 0.677832. Structure annealed in 33 s, f = 5.92984. Structure annealed in 32 s, f = 1.75062. Structure annealed in 35 s, f = 246.679. Structure annealed in 33 s, f = 170.138. Structure annealed in 32 s, f = 6.71572. Structure annealed in 32 s, f = 1.16636. Structure annealed in 32 s, f = 0.954527. Structure annealed in 32 s, f = 0.759670. Structure annealed in 32 s, f = 0.821741. Structure annealed in 26 s, f = 5.63438. Structure annealed in 31 s, f = 1.15700. Structure annealed in 31 s, f = 15.3185. Structure annealed in 32 s, f = 0.773779. Structure annealed in 32 s, f = 10.2082. Structure annealed in 32 s, f = 0.989716. Structure annealed in 33 s, f = 110.987. Structure annealed in 34 s, f = 185.787. Structure annealed in 32 s, f = 0.775884. Structure annealed in 31 s, f = 1.28499. Structure annealed in 32 s, f = 5.10379. Structure annealed in 32 s, f = 0.820256. Structure annealed in 31 s, f = 0.703174. Structure annealed in 34 s, f = 181.237. Structure annealed in 32 s, f = 0.942568. Structure annealed in 32 s, f = 0.959731. Structure annealed in 32 s, f = 0.693559. Structure annealed in 33 s, f = 1.98797. Structure annealed in 32 s, f = 0.737595. Structure annealed in 32 s, f = 0.743054. Structure annealed in 32 s, f = 9.55456. Structure annealed in 33 s, f = 1.09734. Structure annealed in 31 s, f = 0.783532. Structure annealed in 31 s, f = 7.17894. Structure annealed in 31 s, f = 1.35973. 100 structures finished in 133 s (1 s/structure). - at1g16640: overview structures=20 range=8..97 cor pdb full vdw 20 structures selected. Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 0.56 2 2.8 0.23 0 1.6 0.10 0 29.8 2.76 2 0.56 0 2.5 0.19 0 1.7 0.15 0 31.7 2.82 3 0.56 2 3.0 0.27 0 1.6 0.10 0 22.5 2.92 4 0.58 1 2.9 0.22 0 1.9 0.10 0 32.2 4.14 5 0.60 3 2.8 0.24 0 1.5 0.10 0 26.6 3.50 6 0.67 1 3.3 0.21 0 1.7 0.10 0 36.2 4.65 7 0.68 3 3.1 0.25 0 1.8 0.11 0 28.5 2.76 8 0.68 3 3.0 0.36 0 1.5 0.09 0 21.9 3.59 9 0.68 3 2.9 0.32 0 1.9 0.10 0 30.1 3.95 10 0.69 1 3.1 0.22 0 1.8 0.15 0 43.8 4.53 11 0.70 5 2.7 0.31 0 1.3 0.12 0 17.2 3.82 12 0.71 4 2.9 0.31 0 1.2 0.10 0 18.4 3.82 13 0.71 4 3.2 0.28 0 1.8 0.14 0 19.2 2.40 14 0.72 4 2.9 0.31 0 1.4 0.11 0 22.0 4.01 15 0.73 4 3.1 0.25 0 2.0 0.15 0 29.1 3.24 16 0.73 5 3.2 0.31 0 1.3 0.10 0 21.1 2.81 17 0.74 5 3.1 0.32 0 1.2 0.09 0 20.3 3.90 18 0.74 2 3.1 0.40 0 1.6 0.10 0 26.2 3.38 19 0.74 3 2.7 0.36 0 1.6 0.14 0 22.6 3.59 20 0.75 3 3.1 0.27 1 2.0 0.20 0 35.0 3.84 Ave 0.68 3 3.0 0.28 0 1.6 0.12 0 26.7 3.52 +/- 6.50E-02 1 0.2 0.06 0 0.2 0.03 0 6.7 0.61 Min 0.56 0 2.5 0.19 0 1.2 0.09 0 17.2 2.40 Max 0.75 5 3.3 0.40 1 2.0 0.20 0 43.8 4.65 Overview file "at1g16640.ovw" written. DG coordinate file "at1g16640.cor" written, 20 conformers. PDB coordinate file "at1g16640.pdb" written, 20 conformers. - at1g16640: ramachandran file=rama.ps nobackground label Struct fav add gen dis ------ --- --- --- --- 1 73 11 3 1 (TYR 45) 2 74 10 4 0 3 73 10 4 1 (ASN 100) 4 74 10 3 1 (THR 4) 5 73 11 4 0 6 76 11 1 0 7 75 10 2 1 (TYR 45) 8 74 11 3 0 9 71 15 1 1 (TYR 45) 10 72 12 3 1 (TYR 45) 11 72 11 3 2 (TYR 45, HIS 99) 12 70 13 4 1 (GLU- 6) 13 74 13 1 0 14 71 13 3 1 (ALA 2) 15 72 11 3 2 (TYR 45, ARG+ 88) 16 76 12 0 0 17 74 14 0 0 18 68 14 5 1 (HIS 99) 19 69 14 5 0 20 76 10 2 0 all 83% 13% 3% 1% Postscript file "rama.ps" written. cyana> LAM 6.5.9/MPI 2 C++/ROMIO - Indiana University 27-Dec-2004 22:43:59