==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-AUG-99 1CQ1 . COMPND 2 MOLECULE: SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER CALCOACETICUS; . AUTHOR A.OUBRIE,H.J.ROZEBOOM,B.W.DIJKSTRA . 890 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 61.0 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 . 251 28.2 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 . 15 1.7 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 . 1 0.1 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 . 95 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 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 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 8 4 11 13 2 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 0 9 1 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 D 0 0 18 0, 0.0 320,-2.5 0, 0.0 319,-0.4 0.000 360.0 360.0 360.0 163.9 26.2 52.0 85.8 2 2 A V - 0 0 39 711,-0.4 320,-0.1 318,-0.2 713,-0.1 -0.770 360.0-100.0 -90.7 141.1 27.1 55.7 85.3 3 3 A P - 0 0 35 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.150 30.0-128.1 -59.2 143.3 27.5 57.1 81.8 4 4 A L - 0 0 36 1,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.492 30.3-113.6 -78.8 164.9 31.0 57.5 80.4 5 5 A T >> - 0 0 71 -2,-0.1 4,-2.4 1,-0.1 3,-1.4 -0.626 26.2-102.5 -97.8 162.6 31.7 61.0 79.0 6 6 A P H 3> S+ 0 0 52 0, 0.0 4,-3.5 0, 0.0 423,-0.2 0.890 126.1 52.1 -44.5 -41.7 32.4 61.9 75.3 7 7 A S H 3> S+ 0 0 81 1,-0.2 4,-1.1 2,-0.2 421,-0.0 0.786 106.3 51.9 -70.1 -29.5 36.1 62.0 76.3 8 8 A Q H <4 S+ 0 0 71 -3,-1.4 -1,-0.2 2,-0.2 4,-0.2 0.892 115.1 41.9 -76.2 -37.4 36.0 58.6 77.9 9 9 A F H >< S+ 0 0 2 -4,-2.4 3,-3.2 1,-0.2 -2,-0.2 0.971 110.0 58.8 -66.4 -53.0 34.5 57.1 74.8 10 10 A A H 3< S+ 0 0 20 -4,-3.5 -1,-0.2 417,-0.4 -2,-0.2 0.791 104.3 52.0 -44.4 -36.2 36.8 59.2 72.6 11 11 A K T 3< S+ 0 0 132 -4,-1.1 2,-1.3 1,-0.2 3,-0.4 0.482 81.7 91.8 -85.3 -4.7 39.8 57.6 74.3 12 12 A A < + 0 0 11 -3,-3.2 385,-3.5 1,-0.2 -1,-0.2 -0.315 45.5 133.1 -87.4 57.2 38.7 53.9 73.8 13 13 A K - 0 0 58 -2,-1.3 -1,-0.2 383,-0.3 382,-0.1 0.653 56.8-141.1 -83.4 -16.5 40.6 53.7 70.5 14 14 A S > - 0 0 21 -3,-0.4 3,-1.9 1,-0.2 -2,-0.1 0.956 22.2-176.9 54.0 58.7 42.3 50.3 71.2 15 15 A E T 3 S+ 0 0 162 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.471 72.2 77.8 -64.6 2.0 45.6 51.1 69.6 16 16 A N T 3 S+ 0 0 122 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.401 85.6 65.0 -95.8 0.9 46.5 47.5 70.4 17 17 A F S < S- 0 0 24 -3,-1.9 2,-0.6 396,-0.0 396,-0.0 -0.897 76.5-128.5-119.5 157.1 44.6 45.9 67.5 18 18 A D - 0 0 125 427,-1.4 427,-1.9 -2,-0.3 2,-0.2 -0.919 22.2-146.1-106.6 120.6 45.1 46.2 63.8 19 19 A K E +A 444 0A 75 -2,-0.6 2,-0.3 425,-0.2 425,-0.2 -0.549 22.1 170.6 -83.5 144.8 42.0 47.1 61.7 20 20 A K E -A 443 0A 120 423,-1.1 423,-2.6 -2,-0.2 2,-0.5 -0.862 29.3-133.7-156.9 116.4 41.5 45.6 58.2 21 21 A V E -A 442 0A 60 -2,-0.3 421,-0.2 421,-0.2 3,-0.1 -0.693 21.3-179.0 -73.4 123.9 38.3 45.9 56.2 22 22 A I E S+ 0 0 29 419,-3.3 2,-0.3 -2,-0.5 420,-0.2 0.853 71.8 5.2 -89.5 -46.8 37.4 42.5 54.7 23 23 A L E +A 441 0A 20 418,-1.2 418,-2.4 1,-0.1 -1,-0.4 -0.981 57.2 173.2-136.1 146.4 34.2 43.5 52.8 24 24 A S + 0 0 78 -2,-0.3 -1,-0.1 416,-0.2 418,-0.0 0.476 62.8 76.3-134.3 -4.4 32.8 47.0 52.3 25 25 A N + 0 0 132 2,-0.1 415,-0.2 0, 0.0 414,-0.1 0.208 63.6 139.9 -98.4 24.7 29.9 46.9 49.9 26 26 A L - 0 0 5 413,-1.8 2,-0.9 412,-0.2 18,-0.0 -0.238 47.4-139.6 -77.3 146.1 27.3 45.4 52.3 27 27 A N S S- 0 0 64 1,-0.2 19,-0.6 -2,-0.0 20,-0.4 -0.820 78.7 -34.7-103.6 102.3 23.6 46.4 52.4 28 28 A K S S- 0 0 50 -2,-0.9 17,-2.9 16,-0.2 18,-0.3 0.955 75.3-157.6 52.6 57.5 22.5 46.6 56.0 29 29 A P E +D 44 0B 2 0, 0.0 15,-0.2 0, 0.0 391,-0.1 -0.434 21.6 167.1 -62.7 135.7 24.6 43.7 57.2 30 30 A H E + 0 0 13 13,-1.8 2,-0.4 1,-0.4 387,-0.1 0.674 47.1 27.9-123.3 -60.8 22.9 42.4 60.4 31 31 A A E - 0 0 2 12,-0.1 12,-1.9 373,-0.1 -1,-0.4 -0.886 55.3-172.9-113.4 145.2 23.9 39.1 61.8 32 32 A L E +D 42 0B 0 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.996 5.2 179.2-140.3 141.7 27.2 37.3 61.6 33 33 A L E -D 41 0B 35 8,-2.9 8,-2.1 -2,-0.4 2,-0.6 -0.947 34.8-118.0-132.8 158.3 28.3 33.8 62.7 34 34 A W E -D 40 0B 63 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.878 47.6-135.9 -93.3 120.0 31.3 31.6 62.7 35 35 A G > - 0 0 2 4,-3.4 3,-2.1 -2,-0.6 17,-0.0 -0.423 16.3-115.4 -82.9 161.5 30.1 28.7 60.5 36 36 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 53,-0.1 0.586 119.5 58.6 -63.8 -9.8 30.5 25.0 61.1 37 37 A D T 3 S- 0 0 64 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.275 120.8-109.9-101.5 6.1 32.6 25.1 57.9 38 38 A N S < S+ 0 0 93 -3,-2.1 2,-0.3 1,-0.3 -4,-0.0 0.632 83.0 116.2 67.4 22.6 35.0 27.6 59.5 39 39 A Q S S- 0 0 44 15,-0.1 -4,-3.4 16,-0.1 2,-0.5 -0.738 71.9-107.7-107.4 166.3 33.8 30.4 57.2 40 40 A I E -DE 34 53B 0 13,-2.5 13,-3.7 -2,-0.3 2,-0.4 -0.802 33.2-166.8 -93.6 121.8 32.1 33.6 58.3 41 41 A W E +DE 33 52B 1 -8,-2.1 -8,-2.9 -2,-0.5 2,-0.3 -0.900 12.4 171.5-108.4 141.7 28.4 33.7 57.3 42 42 A L E -DE 32 51B 0 9,-2.4 9,-2.9 -2,-0.4 2,-0.3 -0.963 21.2-130.8-146.5 160.6 26.5 37.0 57.5 43 43 A T E - E 0 50B 0 -12,-1.9 -13,-1.8 -2,-0.3 2,-0.5 -0.791 5.4-144.2-115.8 156.3 23.1 38.4 56.5 44 44 A E E > -D 29 0B 13 5,-2.0 4,-1.5 -2,-0.3 5,-0.2 -0.993 16.5-156.8-113.9 117.8 21.9 41.4 54.7 45 45 A R T 4 S+ 0 0 27 -17,-2.9 34,-2.1 -2,-0.5 -17,-0.1 0.860 86.7 41.5 -67.7 -40.1 18.6 42.5 56.4 46 46 A A T 4 S+ 0 0 19 -19,-0.6 -1,-0.2 -18,-0.3 -18,-0.1 0.923 121.8 37.5 -76.6 -42.0 17.1 44.4 53.5 47 47 A T T 4 S- 0 0 35 -20,-0.4 22,-0.2 2,-0.1 -2,-0.2 0.680 96.7-130.2 -84.1 -22.7 18.0 42.1 50.6 48 48 A G < + 0 0 0 -4,-1.5 18,-3.3 1,-0.3 2,-0.3 0.578 54.8 152.1 81.1 9.3 17.5 38.8 52.5 49 49 A K E - F 0 65B 66 16,-0.3 -5,-2.0 -5,-0.2 2,-0.6 -0.544 37.3-153.4 -76.6 143.0 20.9 37.6 51.3 50 50 A I E -EF 43 64B 0 14,-3.3 13,-2.1 -2,-0.3 14,-1.2 -0.936 19.4-167.8-113.9 112.9 23.0 35.1 53.2 51 51 A L E -EF 42 62B 10 -9,-2.9 -9,-2.4 -2,-0.6 2,-0.4 -0.769 13.6-154.7-104.1 151.6 26.7 35.5 52.4 52 52 A R E -EF 41 61B 32 9,-2.5 9,-2.3 -2,-0.3 2,-0.4 -0.990 12.9-166.8-123.8 127.1 29.7 33.3 53.2 53 53 A V E -EF 40 60B 0 -13,-3.7 -13,-2.5 -2,-0.4 7,-0.2 -0.937 23.5-126.9-117.8 132.5 33.1 34.9 53.5 54 54 A N > - 0 0 42 5,-2.8 4,-2.4 -2,-0.4 -15,-0.1 -0.709 18.8-150.0 -75.9 115.7 36.5 33.1 53.6 55 55 A P T 4 S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 -16,-0.1 0.775 93.0 43.9 -60.8 -29.9 38.1 34.4 56.8 56 56 A E T 4 S+ 0 0 172 3,-0.1 -2,-0.0 -3,-0.1 -17,-0.0 0.975 128.4 20.7 -75.6 -67.7 41.5 33.9 55.2 57 57 A S T 4 S- 0 0 82 2,-0.1 3,-0.1 1,-0.1 -1,-0.0 0.810 90.5-129.7 -78.1 -36.4 41.1 35.3 51.7 58 58 A G < + 0 0 18 -4,-2.4 2,-0.2 1,-0.3 -1,-0.1 0.488 52.5 152.2 94.7 5.1 38.0 37.5 52.0 59 59 A S - 0 0 76 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.4 -0.503 28.6-157.2 -69.0 137.5 36.4 35.8 49.0 60 60 A V E -F 53 0B 66 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.935 15.0-171.1-124.2 143.2 32.6 36.0 49.3 61 61 A K E -F 52 0B 88 -9,-2.3 -9,-2.5 -2,-0.4 2,-1.0 -0.987 27.2-129.2-128.2 141.2 29.7 34.0 47.9 62 62 A T E -F 51 0B 68 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.812 28.0-175.9 -85.9 100.4 26.0 34.8 48.0 63 63 A V E - 0 0 5 -13,-2.1 60,-0.4 -2,-1.0 2,-0.3 0.861 61.7 -20.6 -69.5 -36.7 24.9 31.3 49.3 64 64 A F E -F 50 0B 40 -14,-1.2 -14,-3.3 58,-0.1 2,-0.5 -0.976 50.5-139.0-166.5 155.4 21.1 32.1 49.1 65 65 A Q E -F 49 0B 98 -2,-0.3 -16,-0.3 -16,-0.3 -17,-0.1 -0.992 28.7-128.0-124.8 116.0 18.7 35.0 49.0 66 66 A V > - 0 0 2 -18,-3.3 3,-0.9 -2,-0.5 2,-0.1 -0.577 34.2-125.7 -67.4 115.8 15.6 34.5 51.2 67 67 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 -0.347 79.9 12.2 -67.1 146.1 12.7 35.3 48.8 68 68 A E T 3 S+ 0 0 151 1,-0.2 33,-0.4 -2,-0.1 2,-0.3 0.732 76.4 168.2 62.8 29.0 10.0 37.8 49.4 69 69 A I < - 0 0 25 -3,-0.9 2,-0.4 -22,-0.2 -1,-0.2 -0.549 26.4-142.1 -71.4 130.0 11.7 39.4 52.4 70 70 A V + 0 0 41 29,-3.0 2,-0.3 -2,-0.3 29,-0.3 -0.837 26.2 169.9 -99.7 132.6 9.9 42.6 53.3 71 71 A N - 0 0 42 -2,-0.4 2,-0.4 6,-0.1 7,-0.1 -0.906 24.8-147.8-148.4 123.9 11.9 45.7 54.4 72 72 A D > - 0 0 46 -2,-0.3 3,-2.9 1,-0.1 5,-0.3 -0.700 19.7-136.0 -88.5 130.0 11.0 49.3 55.0 73 73 A A T 3 S+ 0 0 89 -2,-0.4 -1,-0.1 1,-0.3 -27,-0.0 0.826 110.0 44.7 -50.7 -36.3 13.8 51.8 54.2 74 74 A D T 3 S+ 0 0 123 -3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.057 109.9 83.1 -95.9 23.2 12.8 53.6 57.5 75 75 A G S < S- 0 0 10 -3,-2.9 63,-0.2 2,-0.1 62,-0.1 -0.729 73.1-133.0-129.8 175.9 12.5 50.3 59.4 76 76 A Q S S+ 0 0 70 61,-1.9 64,-0.2 -2,-0.2 62,-0.1 0.078 74.2 109.0-111.3 18.6 14.2 47.6 61.4 77 77 A N + 0 0 0 -5,-0.3 2,-0.3 60,-0.2 -2,-0.1 -0.326 37.5 79.8 -90.8 171.1 12.4 44.8 59.6 78 78 A G S S- 0 0 0 -2,-0.1 21,-1.9 -8,-0.1 2,-0.5 -0.961 91.2 -5.9 134.0-150.0 13.8 42.3 57.0 79 79 A L E S+G 98 0C 0 -34,-2.1 19,-0.3 -2,-0.3 -31,-0.1 -0.773 73.5 152.8 -81.5 124.2 15.8 39.1 57.4 80 80 A L E + 0 0 5 17,-2.9 64,-0.2 -2,-0.5 18,-0.2 0.675 38.4 60.1-119.2 -77.5 16.5 38.8 61.1 81 81 A G E + 0 0 0 62,-0.2 16,-1.4 74,-0.1 2,-0.3 -0.275 54.4 169.9 -61.9 142.5 17.1 35.5 62.9 82 82 A F E +G 96 0C 6 62,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.808 7.7 141.8-159.1 117.9 20.0 33.3 61.7 83 83 A A E -G 95 0C 9 12,-2.4 12,-3.4 -2,-0.3 2,-0.3 -0.995 36.1-128.9-152.3 155.3 21.4 30.2 63.2 84 84 A F E -G 94 0C 24 -2,-0.3 10,-0.2 10,-0.2 62,-0.2 -0.773 37.6-100.5 -97.9 150.1 22.9 26.8 62.3 85 85 A H > - 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