==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-AUG-99 1CRU . COMPND 2 MOLECULE: PROTEIN (SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENA . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER CALCOACETICUS; . AUTHOR A.OUBRIE,H.J.ROZEBOOM,B.W.DIJKSTRA . 900 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 539 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 247 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 91 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 0 3 1 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 . 4 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 0 PARALLEL BRIDGES PER LADDER . 2 10 2 12 13 1 2 0 2 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 . 6 2 12 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 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 D 0 0 19 0, 0.0 324,-2.5 0, 0.0 323,-0.5 0.000 360.0 360.0 360.0 162.8 24.7 52.0 85.5 2 2 A V - 0 0 38 720,-0.4 324,-0.1 322,-0.2 722,-0.1 -0.728 360.0-100.2 -86.4 139.5 25.5 55.7 85.1 3 3 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.175 29.7-127.2 -60.2 144.4 25.9 57.0 81.6 4 4 A L - 0 0 38 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.556 27.7-118.9 -81.7 155.4 29.4 57.6 80.1 5 5 A T > - 0 0 67 -2,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.534 25.4-104.2 -89.8 165.8 30.1 61.0 78.7 6 6 A P H > S+ 0 0 46 0, 0.0 4,-2.8 0, 0.0 427,-0.2 0.872 123.7 54.3 -55.2 -38.0 31.0 61.8 75.1 7 7 A S H > S+ 0 0 83 2,-0.2 4,-1.3 1,-0.2 -3,-0.0 0.881 107.2 49.7 -65.5 -37.5 34.6 62.2 76.2 8 8 A Q H 4 S+ 0 0 71 -3,-0.4 4,-0.4 2,-0.2 -1,-0.2 0.891 113.4 46.0 -68.6 -40.1 34.6 58.8 77.8 9 9 A F H >< S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.904 107.9 58.8 -65.6 -41.0 33.2 57.2 74.6 10 10 A A H 3< S+ 0 0 21 -4,-2.8 -1,-0.2 421,-0.3 -2,-0.2 0.818 101.8 53.7 -59.2 -32.4 35.7 59.1 72.5 11 11 A K T 3< S+ 0 0 147 -4,-1.3 2,-1.9 1,-0.2 3,-0.3 0.577 81.3 92.9 -82.3 -7.6 38.7 57.6 74.3 12 12 A A < + 0 0 12 -3,-1.4 389,-3.1 -4,-0.4 -1,-0.2 -0.345 43.8 136.4 -83.7 61.8 37.6 54.0 73.7 13 13 A K - 0 0 70 -2,-1.9 -1,-0.2 387,-0.2 386,-0.1 0.636 53.4-142.2 -87.9 -10.8 39.5 53.6 70.4 14 14 A S > + 0 0 22 -3,-0.3 3,-1.3 384,-0.2 -2,-0.1 0.954 26.8 175.8 50.6 61.4 41.0 50.1 71.1 15 15 A E T 3 + 0 0 177 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.413 68.0 79.0 -79.4 7.8 44.4 50.7 69.6 16 16 A N T 3 S+ 0 0 128 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.313 89.7 67.9 -92.6 6.5 45.4 47.3 70.7 17 17 A F S < S- 0 0 23 -3,-1.3 2,-0.4 400,-0.0 400,-0.0 -0.976 76.6-134.6-127.7 144.7 43.5 45.9 67.7 18 18 A D - 0 0 124 431,-2.9 431,-2.5 -2,-0.4 2,-0.4 -0.801 22.4-144.8 -96.5 134.6 44.1 46.1 64.0 19 19 A K E +A 448 0A 76 -2,-0.4 2,-0.3 429,-0.2 429,-0.2 -0.835 22.1 170.7-102.9 136.7 41.1 47.0 61.8 20 20 A K E -A 447 0A 134 427,-2.2 427,-2.9 -2,-0.4 2,-0.5 -0.975 28.7-134.1-145.4 128.7 40.4 45.6 58.3 21 21 A V E +A 446 0A 52 -2,-0.3 425,-0.2 425,-0.2 3,-0.1 -0.737 21.3 179.4 -82.5 123.4 37.3 45.8 56.2 22 22 A I E S+ 0 0 32 423,-2.9 2,-0.4 -2,-0.5 424,-0.2 0.896 72.1 8.0 -88.1 -51.0 36.5 42.4 54.7 23 23 A L E +A 445 0A 17 422,-1.5 422,-2.6 1,-0.1 -1,-0.4 -0.996 56.4 172.5-131.6 141.9 33.3 43.4 52.8 24 24 A S + 0 0 80 -2,-0.4 420,-0.1 420,-0.2 -1,-0.1 0.331 63.8 74.5-131.4 4.6 31.9 46.9 52.2 25 25 A N + 0 0 131 2,-0.1 2,-0.2 420,-0.0 419,-0.2 0.035 63.9 134.3-110.5 31.7 29.0 46.6 49.8 26 26 A L - 0 0 9 417,-2.3 2,-0.7 416,-0.3 18,-0.0 -0.478 48.7-138.3 -85.3 150.8 26.4 45.1 52.0 27 27 A N S S- 0 0 59 1,-0.2 19,-0.4 -2,-0.2 20,-0.4 -0.902 78.0 -31.9-108.9 110.9 22.8 46.2 52.2 28 28 A K S S- 0 0 46 -2,-0.7 17,-2.8 16,-0.2 -1,-0.2 0.890 76.1-159.1 47.6 54.9 21.4 46.4 55.8 29 29 A P E +D 44 0B 1 0, 0.0 15,-0.3 0, 0.0 -1,-0.1 -0.400 19.5 169.9 -60.9 134.8 23.6 43.5 57.0 30 30 A H E + 0 0 15 13,-2.3 2,-0.4 1,-0.4 14,-0.1 0.779 46.8 21.5-122.2 -54.2 21.8 42.2 60.1 31 31 A A E - 0 0 2 12,-0.2 12,-2.0 377,-0.1 -1,-0.4 -0.934 54.8-171.7-122.7 147.0 23.0 38.9 61.6 32 32 A L E -D 42 0B 0 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.995 4.7-178.1-137.4 146.1 26.3 37.0 61.3 33 33 A L E -D 41 0B 37 8,-2.7 8,-2.5 -2,-0.4 2,-0.8 -0.987 34.6-118.2-137.9 150.9 27.4 33.6 62.5 34 34 A W E -D 40 0B 68 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.793 49.0-142.0 -86.0 110.4 30.4 31.4 62.5 35 35 A G > - 0 0 2 4,-3.1 3,-2.0 -2,-0.8 -1,-0.0 -0.295 20.1-107.7 -78.1 168.3 29.1 28.5 60.4 36 36 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 53,-0.0 0.635 120.6 57.3 -67.1 -12.9 29.7 24.7 60.7 37 37 A D T 3 S- 0 0 52 2,-0.2 3,-0.1 0, 0.0 -2,-0.1 0.239 119.9-108.9-100.6 10.5 31.9 25.0 57.6 38 38 A N S < S+ 0 0 98 -3,-2.0 2,-0.3 1,-0.3 -4,-0.0 0.700 83.8 120.3 65.3 21.7 34.2 27.5 59.2 39 39 A Q - 0 0 46 15,-0.1 -4,-3.1 16,-0.1 2,-0.5 -0.783 70.0-113.1-105.8 159.5 32.8 30.2 57.0 40 40 A I E -DE 34 53B 0 13,-2.7 13,-3.4 -2,-0.3 2,-0.4 -0.805 31.1-163.1 -90.8 125.3 31.1 33.4 58.2 41 41 A W E +DE 33 52B 1 -8,-2.5 -8,-2.7 -2,-0.5 2,-0.3 -0.923 14.0 173.7-109.1 137.4 27.4 33.4 57.2 42 42 A L E -DE 32 51B 0 9,-2.4 9,-3.1 -2,-0.4 2,-0.3 -0.973 20.4-132.9-144.2 158.9 25.5 36.7 57.3 43 43 A T E - E 0 50B 0 -12,-2.0 -13,-2.3 -2,-0.3 2,-0.5 -0.776 5.5-144.9-113.4 152.0 22.1 38.1 56.3 44 44 A E E > -D 29 0B 12 5,-2.1 4,-1.7 -2,-0.3 5,-0.3 -0.983 17.4-152.2-111.1 117.2 20.9 41.2 54.5 45 45 A R T 4 S+ 0 0 29 -17,-2.8 34,-2.4 -2,-0.5 -17,-0.1 0.844 87.4 35.3 -63.8 -37.9 17.6 42.3 56.1 46 46 A A T 4 S+ 0 0 22 -19,-0.4 -1,-0.2 32,-0.2 -18,-0.1 0.898 122.6 40.9 -89.3 -36.3 15.9 44.0 53.2 47 47 A T T 4 S- 0 0 37 -20,-0.4 22,-0.2 2,-0.1 -2,-0.2 0.724 96.4-133.3 -80.7 -23.2 17.0 41.8 50.3 48 48 A G < + 0 0 0 -4,-1.7 18,-2.8 1,-0.3 2,-0.2 0.607 51.7 153.9 78.8 12.2 16.6 38.6 52.2 49 49 A K E - F 0 65B 69 -5,-0.3 -5,-2.1 16,-0.3 2,-0.5 -0.490 35.5-154.4 -77.3 144.3 20.0 37.4 51.0 50 50 A I E -EF 43 64B 0 14,-2.9 13,-2.1 -7,-0.2 14,-1.4 -0.988 19.3-168.4-116.5 114.6 22.1 34.9 52.9 51 51 A L E -EF 42 62B 8 -9,-3.1 -9,-2.4 -2,-0.5 2,-0.4 -0.790 14.7-152.6-107.5 153.0 25.8 35.3 52.2 52 52 A R E -EF 41 61B 35 9,-2.4 9,-2.0 -2,-0.3 2,-0.4 -0.993 16.8-170.6-127.0 124.2 28.8 33.1 53.0 53 53 A V E -EF 40 60B 0 -13,-3.4 -13,-2.7 -2,-0.4 7,-0.2 -0.943 26.8-123.7-120.3 136.2 32.2 34.7 53.4 54 54 A N > - 0 0 43 5,-2.8 4,-2.5 -2,-0.4 -15,-0.1 -0.649 22.0-148.0 -76.0 118.1 35.7 33.2 53.8 55 55 A P T 4 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 -16,-0.1 0.772 92.7 40.9 -60.1 -29.8 37.0 34.7 57.0 56 56 A E T 4 S+ 0 0 151 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.885 128.5 23.2 -83.3 -51.6 40.6 34.7 55.8 57 57 A S T 4 S- 0 0 67 2,-0.1 3,-0.1 0, 0.0 -1,-0.1 0.692 90.7-129.3 -95.6 -24.2 40.3 35.8 52.2 58 58 A G < + 0 0 15 -4,-2.5 2,-0.0 1,-0.3 0, 0.0 0.450 51.6 152.5 85.8 4.5 37.0 37.7 52.1 59 59 A S - 0 0 74 -6,-0.1 -5,-2.8 -5,-0.1 2,-0.3 -0.361 26.8-162.4 -66.6 146.1 35.7 35.8 49.1 60 60 A V E -F 53 0B 70 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.971 19.8-171.3-138.1 148.8 31.9 35.7 49.2 61 61 A K E -F 52 0B 98 -9,-2.0 -9,-2.4 -2,-0.3 2,-0.9 -0.999 27.4-127.8-136.6 138.4 28.9 33.8 47.7 62 62 A T E -F 51 0B 69 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.785 27.0-176.3 -84.8 105.8 25.2 34.5 47.9 63 63 A V E - 0 0 4 -13,-2.1 64,-0.4 -2,-0.9 2,-0.3 0.877 61.0 -17.2 -72.2 -39.5 23.9 31.1 49.0 64 64 A F E -F 50 0B 36 -14,-1.4 -14,-2.9 62,-0.2 2,-0.4 -0.985 48.5-141.3-162.5 155.9 20.2 32.0 48.9 65 65 A Q E -F 49 0B 99 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.1 -0.980 28.5-130.2-126.6 113.8 17.7 34.8 48.7 66 66 A V > - 0 0 3 -18,-2.8 3,-0.9 -2,-0.4 2,-0.1 -0.514 32.2-124.8 -66.2 116.6 14.6 34.3 50.8 67 67 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 -0.348 79.4 10.2 -65.8 149.3 11.7 35.1 48.4 68 68 A E T 3 S+ 0 0 169 1,-0.2 33,-0.4 -2,-0.1 2,-0.1 0.601 75.1 166.2 60.2 23.5 9.0 37.6 49.2 69 69 A I < - 0 0 25 -3,-0.9 2,-0.4 -22,-0.2 -1,-0.2 -0.412 27.5-142.6 -63.4 135.9 10.6 39.2 52.2 70 70 A V + 0 0 42 29,-2.6 2,-0.3 8,-0.2 29,-0.3 -0.881 25.6 170.5-105.0 134.0 8.9 42.5 53.0 71 71 A N - 0 0 41 -2,-0.4 2,-0.4 7,-0.1 7,-0.1 -0.994 23.6-147.3-144.8 136.7 10.8 45.5 54.2 72 72 A D > - 0 0 51 -2,-0.3 3,-2.4 1,-0.1 5,-0.2 -0.860 20.2-133.7-103.0 136.4 10.0 49.2 54.7 73 73 A A T 3 S+ 0 0 93 -2,-0.4 -1,-0.1 1,-0.3 -27,-0.0 0.828 111.7 42.1 -56.3 -31.7 12.8 51.7 54.1 74 74 A D T 3 S+ 0 0 115 -3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.020 109.8 88.9-101.2 23.6 11.8 53.4 57.4 75 75 A G S < S- 0 0 9 -3,-2.4 67,-0.2 2,-0.1 66,-0.1 -0.734 70.4-138.7-126.8 171.5 11.4 50.1 59.2 76 76 A Q S S+ 0 0 70 65,-2.4 68,-0.1 -2,-0.2 66,-0.1 0.085 72.9 107.2-108.7 12.0 13.1 47.4 61.2 77 77 A N + 0 0 0 -5,-0.2 2,-0.3 64,-0.2 -2,-0.1 -0.362 38.8 76.3 -88.7 170.2 11.3 44.6 59.3 78 78 A G S S- 0 0 0 -7,-0.1 21,-1.8 -2,-0.1 2,-0.6 -0.976 91.6 -1.6 133.7-146.4 12.6 42.1 56.8 79 79 A L E S+G 98 0C 0 -34,-2.4 19,-0.2 -2,-0.3 -31,-0.1 -0.796 74.1 150.0 -84.4 122.0 14.8 39.0 57.2 80 80 A L E + 0 0 6 17,-2.6 68,-0.2 -2,-0.6 -1,-0.2 0.719 37.3 59.2-119.8 -80.1 15.5 38.7 60.9 81 81 A G E + 0 0 1 66,-0.1 16,-1.4 78,-0.1 2,-0.3 -0.290 53.8 170.3 -64.7 146.8 16.1 35.4 62.7 82 82 A F E +G 96 0C 6 66,-0.4 2,-0.3 14,-0.3 66,-0.2 -0.849 7.1 143.6-160.9 121.1 19.0 33.1 61.5 83 83 A A E -G 95 0C 9 12,-2.2 12,-3.1 -2,-0.3 2,-0.3 -0.989 35.7-127.3-154.4 155.1 20.5 30.0 63.1 84 84 A F E -G 94 0C 28 -2,-0.3 10,-0.2 10,-0.2 66,-0.2 -0.743 37.0-102.0 -97.5 150.3 21.9 26.6 62.2 85 85 A H > - 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