==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-AUG-00 1FLG . COMPND 2 MOLECULE: PROTEIN (QUINOPROTEIN ETHANOL DEHYDROGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.KEITEL,A.DIEHL,T.KNAUTE,J.J.STEZOWSKI,W.HOHNE,H.GORISCH . 1164 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 353 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 98 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 6 13 3 21 13 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 10 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A K 0 0 206 0, 0.0 2,-1.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 61.3 37.2 43.8 36.3 2 2 A D - 0 0 93 1,-0.3 114,-0.0 114,-0.0 0, 0.0 -0.541 360.0 -21.3-100.8 95.3 33.5 44.6 36.1 3 3 A V S S- 0 0 9 -2,-1.0 114,-2.5 113,-0.1 -1,-0.3 0.790 79.3-179.4 71.8 93.1 32.7 48.1 37.4 4 4 A T > - 0 0 53 -3,-0.2 4,-1.7 112,-0.2 5,-0.2 -0.593 48.6 -89.4-109.8 166.9 35.5 49.1 39.7 5 5 A W H > S+ 0 0 47 -2,-0.2 4,-3.2 2,-0.2 5,-0.2 0.867 127.9 56.0 -47.6 -42.6 36.0 52.2 41.8 6 6 A E H > S+ 0 0 143 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.963 103.4 52.9 -69.1 -34.8 37.8 53.7 38.6 7 7 A D H 4 S+ 0 0 49 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.885 115.0 42.4 -56.0 -47.3 34.8 53.1 36.4 8 8 A I H >< S+ 0 0 2 -4,-1.7 3,-1.7 1,-0.2 4,-0.3 0.926 112.4 51.6 -68.1 -52.3 32.7 55.0 38.9 9 9 A A H 3< S+ 0 0 30 -4,-3.2 3,-0.3 1,-0.3 16,-0.3 0.907 115.2 41.3 -57.8 -33.1 35.1 57.8 39.6 10 10 A N T >< S+ 0 0 63 -4,-2.6 3,-1.2 -5,-0.2 4,-0.3 0.132 81.8 119.0 -97.8 21.6 35.6 58.7 35.8 11 11 A D G X + 0 0 7 -3,-1.7 3,-1.5 1,-0.3 13,-0.2 0.954 64.3 60.2 -58.3 -45.5 31.9 58.2 35.2 12 12 A D G 3 S+ 0 0 49 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.778 111.9 41.3 -53.8 -33.5 31.3 61.8 34.0 13 13 A K G < S+ 0 0 136 -3,-1.2 2,-0.8 1,-0.1 -1,-0.2 0.289 88.4 86.2 -88.4 -20.8 33.9 61.2 31.1 14 14 A T X - 0 0 57 -3,-1.5 3,-1.3 -4,-0.3 -1,-0.1 -0.813 55.3-168.2 -79.3 99.6 33.2 57.7 29.7 15 15 A T T 3 S+ 0 0 48 -2,-0.8 522,-2.7 1,-0.3 -1,-0.1 0.779 77.2 74.2 -64.2 -7.7 30.4 58.2 27.1 16 16 A G T 3 S+ 0 0 44 520,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.769 100.3 21.0 -77.6 -36.6 30.0 54.5 26.9 17 17 A D < - 0 0 34 -3,-1.3 2,-0.3 -6,-0.2 50,-0.2 -0.846 56.8-142.5-122.1-179.4 28.2 53.7 30.2 18 18 A V B +A 66 0A 3 48,-2.8 48,-2.7 -2,-0.3 3,-0.1 -0.888 23.2 171.6-136.2 113.0 26.0 55.4 33.0 19 19 A L + 0 0 2 -2,-0.3 96,-0.7 46,-0.2 2,-0.3 0.435 53.1 11.0-106.4 -1.4 26.9 54.2 36.5 20 20 A Q S > S- 0 0 9 94,-0.1 3,-1.7 44,-0.1 2,-0.3 -0.992 85.2 -71.5-168.2 162.2 25.0 56.3 39.0 21 21 A Y T 3 S+ 0 0 20 137,-0.4 3,-0.2 -2,-0.3 6,-0.1 -0.400 119.5 26.5 -63.4 121.4 22.4 59.0 39.7 22 22 A G T 3 S- 0 0 0 -2,-0.3 7,-1.2 1,-0.1 8,-0.3 0.565 110.5-103.7 103.5 -0.2 23.7 62.3 38.5 23 23 A M S < S+ 0 0 16 -3,-1.7 2,-0.2 5,-0.2 -1,-0.1 0.719 98.1 25.5 49.8 33.2 26.1 60.8 35.8 24 24 A G S > S- 0 0 5 -3,-0.2 3,-1.3 -13,-0.2 -15,-0.1 -0.847 94.4 -91.7 161.9 165.6 29.1 61.4 38.0 25 25 A T T 3 S+ 0 0 23 -17,-0.3 228,-2.0 -16,-0.3 -2,-0.1 0.682 125.8 54.2 -67.4 -23.6 30.2 61.8 41.6 26 26 A H T 3 S- 0 0 61 226,-0.2 299,-1.9 -4,-0.1 -1,-0.3 0.498 104.8-132.0 -92.1 -0.5 29.7 65.6 41.2 27 27 A A < + 0 0 10 -3,-1.3 -4,-0.2 297,-0.2 -2,-0.1 0.761 53.9 146.2 58.8 29.1 26.0 65.1 39.9 28 28 A Q - 0 0 22 -6,-0.2 391,-1.8 390,-0.1 -5,-0.2 0.793 47.0-144.0 -69.7 -27.9 26.4 67.5 36.9 29 29 A R + 0 0 7 -7,-1.2 465,-3.5 1,-0.3 2,-0.4 0.838 53.1 142.1 61.1 40.9 24.0 65.7 34.3 30 30 A W E -e 494 0B 16 -8,-0.3 -1,-0.3 463,-0.2 465,-0.2 -0.935 33.2-172.1-119.0 130.4 26.5 66.7 31.6 31 31 A S E -e 495 0B 5 463,-2.0 465,-2.3 -2,-0.4 466,-0.3 -0.985 23.1-150.6-123.9 125.5 27.6 64.8 28.6 32 32 A P + 0 0 58 0, 0.0 463,-0.1 0, 0.0 -1,-0.1 0.590 60.0 124.3 -73.2 -5.3 30.4 65.6 26.1 33 33 A L + 0 0 17 1,-0.1 464,-0.8 502,-0.0 463,-0.7 -0.237 29.3 170.8 -54.4 141.6 28.4 63.7 23.3 34 34 A K + 0 0 114 462,-0.2 -1,-0.1 461,-0.1 461,-0.0 0.159 47.8 103.4-143.4 6.5 27.7 65.9 20.3 35 35 A Q S S+ 0 0 74 5,-0.0 2,-0.4 2,-0.0 5,-0.1 0.966 87.0 48.3 -64.5 -46.9 26.4 63.4 17.8 36 36 A V S S+ 0 0 1 507,-0.1 2,-0.3 4,-0.1 461,-0.1 -0.805 86.9 155.4 -91.9 127.8 22.9 64.8 18.5 37 37 A N > - 0 0 21 -2,-0.4 4,-1.8 461,-0.1 3,-0.4 -0.872 57.2 -81.2-143.3-178.3 23.1 68.6 18.3 38 38 A A T 4 S+ 0 0 22 459,-1.3 4,-0.2 -2,-0.3 460,-0.1 0.665 121.9 49.0 -63.9 -21.7 21.2 71.8 17.7 39 39 A D T 4 S+ 0 0 141 458,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.786 122.6 27.9 -88.6 -23.6 21.3 71.5 13.9 40 40 A N T >4 S+ 0 0 35 -3,-0.4 3,-2.7 1,-0.1 -2,-0.2 0.531 88.0 103.8-114.9 -8.2 20.2 67.9 13.5 41 41 A V G >< + 0 0 2 -4,-1.8 3,-2.2 1,-0.3 -1,-0.1 0.793 66.4 72.5 -48.7 -32.0 18.0 67.5 16.6 42 42 A F G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -4,-0.2 1123,-0.2 0.588 92.0 58.4 -65.7 -5.3 14.7 67.8 14.6 43 43 A K G < S+ 0 0 69 -3,-2.7 -1,-0.3 2,-0.1 -2,-0.2 0.239 73.5 129.9-101.1 4.2 15.3 64.3 13.1 44 44 A L < - 0 0 10 -3,-2.2 535,-0.2 -4,-0.1 -3,-0.0 -0.374 35.9-178.8 -65.3 140.9 15.4 62.5 16.5 45 45 A T E -I 578 0C 22 533,-2.3 533,-2.9 -2,-0.1 585,-0.1 -0.972 32.4 -90.8-141.7 149.2 13.1 59.4 16.6 46 46 A P E -I 577 0C 7 0, 0.0 531,-0.3 0, 0.0 3,-0.1 -0.390 28.6-171.1 -58.0 140.2 12.0 56.6 18.9 47 47 A A E - 0 0 23 529,-3.1 1060,-0.3 1,-0.5 2,-0.3 0.609 62.6 -35.4-102.9 -27.7 14.1 53.5 18.7 48 48 A W E -I 576 0C 6 528,-0.9 528,-1.6 1058,-0.1 -1,-0.5 -0.873 51.8-139.9 176.3 157.4 12.0 51.1 20.9 49 49 A S E -I 575 0C 3 1058,-1.9 2,-0.4 -2,-0.3 526,-0.2 -0.976 5.9-153.7-128.8 155.6 9.7 51.1 24.0 50 50 A Y E -I 574 0C 19 524,-1.9 524,-2.2 -2,-0.3 2,-0.5 -0.983 13.4-141.8-124.2 127.8 9.4 48.6 26.9 51 51 A S E -I 573 0C 15 1058,-1.4 522,-0.2 -2,-0.4 1058,-0.1 -0.732 2.7-155.4 -92.3 129.1 6.1 48.3 28.9 52 52 A F + 0 0 3 520,-2.4 1101,-0.2 -2,-0.5 -1,-0.1 0.821 35.6 168.9 -67.7 -26.5 6.4 47.8 32.7 53 53 A G > + 0 0 3 519,-0.6 3,-1.6 1100,-0.2 -1,-0.1 -0.121 32.3 120.8 50.6-154.3 2.9 46.1 32.8 54 54 A D T 3 S- 0 0 71 1,-0.3 -1,-0.1 1100,-0.0 3,-0.1 0.497 97.0 -92.8 73.5 2.5 1.6 44.3 35.9 55 55 A E T 3 S+ 0 0 53 1,-0.2 2,-0.7 584,-0.1 -1,-0.3 0.716 97.7 126.9 65.9 23.4 -1.3 46.7 36.1 56 56 A K < + 0 0 85 -3,-1.6 -1,-0.2 1,-0.1 20,-0.1 -0.934 25.3 138.7-116.0 106.6 1.1 48.6 38.4 57 57 A Q + 0 0 8 -2,-0.7 19,-0.1 -3,-0.1 -1,-0.1 0.381 6.8 118.8-116.2-108.0 1.5 52.2 37.3 58 58 A R S S- 0 0 79 492,-0.1 513,-0.4 18,-0.1 2,-0.2 -0.305 77.3 -5.2 59.9-172.9 1.7 55.4 39.4 59 59 A G - 0 0 1 1,-0.1 2,-0.7 493,-0.1 51,-0.3 -0.354 53.9-161.7 -64.3 133.6 4.8 57.7 39.3 60 60 A Q + 0 0 1 489,-2.6 470,-0.5 -2,-0.2 489,-0.2 -0.767 25.1 155.5-120.2 100.3 7.9 56.6 37.4 61 61 A E + 0 0 5 -2,-0.7 -1,-0.1 49,-0.3 2,-0.1 0.519 24.8 137.1-108.8 -0.4 10.8 58.7 38.7 62 62 A S - 0 0 1 12,-0.3 2,-0.9 469,-0.2 485,-0.3 -0.199 46.4-146.5 -72.2 140.5 13.7 56.5 37.9 63 63 A Q - 0 0 2 48,-2.0 50,-0.3 468,-0.1 -1,-0.1 -0.778 27.5-138.0 -90.4 112.4 17.1 57.3 36.5 64 64 A A - 0 0 2 -2,-0.9 2,-0.3 468,-0.3 9,-0.2 -0.211 12.5-149.5 -57.0 158.9 18.2 54.4 34.4 65 65 A I E - B 0 72A 2 7,-2.2 7,-2.0 -46,-0.1 2,-0.4 -0.843 10.2-158.3-129.7 149.5 21.8 53.2 34.6 66 66 A V E +AB 18 71A 2 -48,-2.7 -48,-2.8 -2,-0.3 2,-0.3 -0.984 21.3 147.7-129.0 145.3 23.8 51.5 31.7 67 67 A S E > - B 0 70A 17 3,-1.8 3,-1.5 -2,-0.4 2,-0.1 -0.873 65.3 -6.4-171.9 150.1 26.9 49.3 31.4 68 68 A D T 3 S- 0 0 158 -2,-0.3 17,-0.0 1,-0.2 0, 0.0 -0.409 129.0 -39.5 42.6-135.5 28.1 46.5 29.0 69 69 A G T 3 S+ 0 0 26 -2,-0.1 16,-2.2 -3,-0.1 2,-0.4 0.121 115.5 100.4 -95.5 22.0 25.1 46.0 26.9 70 70 A V E < -BC 67 84A 24 -3,-1.5 -3,-1.8 14,-0.2 2,-0.5 -0.969 52.7-152.5-122.4 135.5 22.4 46.4 29.7 71 71 A I E -BC 66 83A 0 12,-2.5 12,-2.3 -2,-0.4 2,-0.5 -0.863 12.1-162.2 -92.9 120.3 19.9 49.0 31.0 72 72 A Y E +BC 65 82A 9 -7,-2.0 -7,-2.2 -2,-0.5 2,-0.4 -0.984 19.1 174.1-102.1 113.8 19.0 48.6 34.7 73 73 A V E - C 0 81A 1 8,-2.5 8,-2.4 -2,-0.5 2,-0.2 -0.968 21.8-140.3-122.2 147.6 15.7 50.6 35.4 74 74 A T E - C 0 80A 0 -2,-0.4 -12,-0.3 6,-0.2 2,-0.3 -0.635 18.7-159.1-105.8 146.6 13.6 50.8 38.6 75 75 A A E > - C 0 79A 3 4,-2.8 4,-1.2 -2,-0.2 3,-0.4 -0.831 28.8 -80.7-126.3 168.7 9.7 50.9 38.6 76 76 A S T 4 S+ 0 0 1 -2,-0.3 33,-0.2 1,-0.2 -1,-0.1 -0.236 110.8 35.7 -53.2 160.4 6.9 52.0 40.9 77 77 A Y T 4 S- 0 0 39 31,-1.9 -1,-0.2 1,-0.2 32,-0.1 0.812 131.7 -67.2 55.6 40.9 5.9 49.5 43.6 78 78 A S T 4 S+ 0 0 2 30,-0.4 18,-1.3 -3,-0.4 2,-0.3 0.918 88.2 142.4 52.7 75.5 9.5 48.3 44.2 79 79 A R E < -CD 75 95A 3 -4,-1.2 -4,-2.8 16,-0.2 2,-0.4 -0.931 34.6-153.7-144.1 144.8 10.5 46.5 41.0 80 80 A L E -CD 74 94A 0 14,-2.6 14,-1.6 -2,-0.3 2,-0.4 -0.990 8.9-166.3-126.4 134.4 13.8 46.2 39.0 81 81 A F E -CD 73 93A 2 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.5 -0.901 9.0-160.4-125.2 128.3 14.1 45.6 35.2 82 82 A A E -CD 72 92A 0 10,-2.1 9,-4.0 -2,-0.4 10,-0.9 -0.930 21.1-178.8-115.1 117.2 17.2 44.6 33.1 83 83 A L E -CD 71 90A 0 -12,-2.3 -12,-2.5 -2,-0.5 2,-0.4 -0.928 34.2-108.1-119.2 137.2 16.7 45.3 29.5 84 84 A D E -C 70 0A 38 5,-2.2 -14,-0.2 -2,-0.3 5,-0.1 -0.643 30.1-140.3 -69.6 120.9 19.0 44.8 26.4 85 85 A A S S+ 0 0 0 -16,-2.2 -1,-0.1 -2,-0.4 -15,-0.1 0.813 93.6 38.4 -62.7 -22.8 20.1 48.2 25.3 86 86 A K S S+ 0 0 113 -17,-0.3 2,-0.3 3,-0.1 -1,-0.2 0.853 126.7 29.6 -92.6 -43.8 19.9 47.8 21.5 87 87 A T S S- 0 0 52 2,-0.1 -39,-0.1 -39,-0.0 -3,-0.1 -0.801 89.6-126.0 -99.4 154.0 16.8 45.7 21.3 88 88 A G + 0 0 4 -2,-0.3 -3,-0.1 -41,-0.1 486,-0.1 0.159 57.5 148.9 -91.8 35.4 14.4 46.5 24.1 89 89 A K - 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