==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-AUG-99 1C9U . COMPND 2 MOLECULE: SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER CALCOACETICUS; . AUTHOR A.OUBRIE,H.J.ROZEBOOM,B.W.DIJKSTRA . 896 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 62.3 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 . 245 27.3 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 . 13 1.5 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 . 116 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 9.6 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 . 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 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 . 4 6 8 11 11 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 . 5 0 10 0 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,-2.2 0, 0.0 319,-0.5 0.000 360.0 360.0 360.0 166.2 7.2 40.1 18.8 2 2 A V - 0 0 42 716,-0.3 320,-0.1 318,-0.2 718,-0.1 -0.763 360.0 -97.1 -95.4 135.6 10.5 40.7 17.1 3 3 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.165 30.8-129.6 -53.5 132.7 12.4 37.7 15.6 4 4 A L - 0 0 34 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.557 29.8-119.8 -76.9 147.4 15.2 36.2 17.7 5 5 A T > - 0 0 62 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.491 24.3-103.0 -87.6 163.8 18.4 35.8 15.7 6 6 A P H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.883 124.1 54.9 -49.8 -39.2 20.2 32.5 15.0 7 7 A S H > S+ 0 0 90 1,-0.2 4,-1.6 2,-0.2 -3,-0.0 0.937 104.5 50.8 -60.4 -51.1 22.7 33.5 17.7 8 8 A Q H 4 S+ 0 0 82 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.872 111.2 49.2 -57.8 -39.0 20.0 34.0 20.4 9 9 A F H >< S+ 0 0 1 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.908 106.8 55.2 -67.2 -43.1 18.5 30.6 19.7 10 10 A A H 3< S+ 0 0 22 -4,-2.1 -1,-0.2 417,-0.4 -2,-0.2 0.824 104.5 53.7 -60.5 -33.9 21.9 28.9 19.8 11 11 A K T 3< S+ 0 0 161 -4,-1.6 2,-1.1 1,-0.2 3,-0.3 0.480 85.9 88.4 -83.7 1.4 22.5 30.2 23.3 12 12 A A < + 0 0 12 -3,-1.6 385,-2.4 -4,-0.2 -1,-0.2 -0.419 45.8 133.2 -96.0 60.6 19.2 28.9 24.6 13 13 A K - 0 0 66 -2,-1.1 -1,-0.2 383,-0.2 382,-0.1 0.664 61.7-132.8 -85.5 -16.1 20.6 25.4 25.6 14 14 A S > - 0 0 18 -3,-0.3 3,-1.1 380,-0.2 -2,-0.1 0.998 28.5-178.0 57.7 67.7 19.0 25.3 29.0 15 15 A E T 3 S+ 0 0 151 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.759 72.5 72.4 -67.3 -26.1 22.1 24.1 30.9 16 16 A N T 3 S+ 0 0 115 2,-0.1 2,-0.4 429,-0.0 -1,-0.3 0.180 88.6 74.4 -77.5 12.8 20.1 24.0 34.1 17 17 A F S < S- 0 0 19 -3,-1.1 2,-0.5 396,-0.0 396,-0.1 -0.992 75.5-130.7-132.4 140.8 18.2 20.8 33.0 18 18 A D - 0 0 111 -2,-0.4 427,-2.3 2,-0.0 2,-0.4 -0.798 23.6-145.3 -90.2 126.0 19.3 17.2 32.7 19 19 A K E +A 444 0A 78 -2,-0.5 2,-0.3 425,-0.2 425,-0.2 -0.744 24.4 168.2 -92.1 138.5 18.4 15.6 29.3 20 20 A K E -A 443 0A 101 423,-2.0 423,-2.1 -2,-0.4 2,-0.3 -0.820 27.1-140.4-156.9 109.8 17.5 11.9 29.2 21 21 A V E +A 442 0A 57 -2,-0.3 421,-0.2 421,-0.2 3,-0.1 -0.534 18.7 178.0 -71.4 126.3 15.9 10.0 26.3 22 22 A I E + 0 0 34 419,-2.7 2,-0.3 -2,-0.3 420,-0.2 0.862 69.6 20.5 -93.8 -48.6 13.3 7.6 27.4 23 23 A L E +A 441 0A 32 418,-1.5 418,-1.3 1,-0.1 -1,-0.3 -0.925 56.4 172.4-123.6 151.6 12.2 6.2 24.1 24 24 A S + 0 0 78 -2,-0.3 2,-1.4 416,-0.2 -1,-0.1 0.756 61.7 63.8-126.2 -49.4 14.0 6.1 20.7 25 25 A N + 0 0 152 2,-0.1 2,-0.4 415,-0.0 -1,-0.2 -0.679 67.9 150.3 -85.8 86.1 12.4 4.1 17.9 26 26 A L - 0 0 14 -2,-1.4 2,-0.9 413,-0.8 18,-0.0 -0.944 44.0-136.2-123.2 142.1 9.1 6.0 17.3 27 27 A N S S- 0 0 62 -2,-0.4 20,-0.4 1,-0.2 19,-0.4 -0.804 79.4 -40.6 -96.1 100.2 7.1 6.5 14.2 28 28 A K S S- 0 0 55 -2,-0.9 17,-3.0 16,-0.2 -1,-0.2 0.929 72.0-151.9 46.2 63.3 6.0 10.1 14.0 29 29 A P E +D 44 0B 2 0, 0.0 15,-0.3 0, 0.0 -1,-0.2 -0.473 23.1 171.6 -61.8 125.5 5.1 10.6 17.7 30 30 A H E + 0 0 17 13,-1.8 2,-0.3 1,-0.3 387,-0.1 0.829 49.4 11.9-104.6 -72.7 2.4 13.3 17.8 31 31 A A E - 0 0 2 49,-0.1 12,-1.8 373,-0.1 2,-0.4 -0.862 54.6-165.2-115.8 150.2 0.8 13.9 21.1 32 32 A L E -D 42 0B 0 -2,-0.3 2,-0.3 10,-0.2 10,-0.3 -0.988 8.9-175.8-133.0 141.8 1.6 12.9 24.7 33 33 A L E -D 41 0B 39 8,-2.9 8,-3.1 -2,-0.4 2,-1.0 -0.984 33.4-114.4-136.7 151.5 -0.6 13.0 27.8 34 34 A W E -D 40 0B 69 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.727 45.2-140.2 -86.0 102.1 -0.3 12.3 31.5 35 35 A G > - 0 0 2 4,-3.0 3,-2.0 -2,-1.0 4,-0.1 -0.117 20.1-108.8 -61.8 159.8 -2.7 9.3 31.9 36 36 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 53,-0.1 0.499 119.6 61.0 -66.7 -3.0 -5.0 8.8 34.8 37 37 A D T 3 S- 0 0 59 2,-0.3 3,-0.1 0, 0.0 -2,-0.1 0.194 121.5-105.8-107.8 11.9 -2.7 6.0 35.9 38 38 A N S < S+ 0 0 101 -3,-2.0 2,-0.3 1,-0.3 -4,-0.0 0.774 85.5 122.8 65.1 29.2 0.3 8.3 36.3 39 39 A Q - 0 0 43 -4,-0.1 -4,-3.0 15,-0.1 2,-0.6 -0.897 68.3-113.1-118.6 148.5 1.7 6.9 33.1 40 40 A I E -DE 34 53B 0 13,-2.0 13,-3.2 -2,-0.3 2,-0.5 -0.731 30.2-165.9 -84.7 120.7 2.7 8.8 29.9 41 41 A W E +DE 33 52B 1 -8,-3.1 -8,-2.9 -2,-0.6 2,-0.2 -0.926 13.3 172.4-108.6 123.5 0.4 8.0 27.0 42 42 A L E -DE 32 51B 0 9,-1.2 9,-1.8 -2,-0.5 2,-0.3 -0.747 19.6-134.9-124.2 171.0 1.6 9.0 23.5 43 43 A T E - E 0 50B 0 -12,-1.8 -13,-1.8 -2,-0.2 2,-0.5 -0.870 6.3-141.2-125.0 158.2 0.5 8.5 20.0 44 44 A E E > -D 29 0B 11 5,-1.6 4,-2.6 -2,-0.3 5,-0.4 -0.981 15.2-155.3-117.1 109.5 2.1 7.6 16.7 45 45 A R T 4 S+ 0 0 21 -17,-3.0 34,-2.4 -2,-0.5 -1,-0.2 0.899 87.7 42.4 -55.3 -50.5 0.5 9.6 13.9 46 46 A A T 4 S+ 0 0 17 -19,-0.4 -1,-0.2 -18,-0.2 -18,-0.1 0.939 125.3 31.0 -64.0 -50.5 1.3 7.3 10.9 47 47 A T T 4 S- 0 0 36 -20,-0.4 22,-0.3 2,-0.1 -2,-0.2 0.776 95.8-131.0 -83.1 -30.6 0.6 4.0 12.6 48 48 A G < + 0 0 0 -4,-2.6 18,-3.6 1,-0.3 2,-0.2 0.653 49.9 155.4 87.0 17.5 -2.2 5.0 15.0 49 49 A K E - F 0 65B 70 -5,-0.4 -5,-1.6 16,-0.3 2,-0.6 -0.516 35.1-150.6 -79.3 145.5 -0.6 3.3 18.0 50 50 A I E -EF 43 64B 0 14,-3.4 13,-1.7 -7,-0.2 14,-1.0 -0.922 20.7-165.6-117.6 100.0 -1.4 4.5 21.5 51 51 A L E -EF 42 62B 8 -9,-1.8 -9,-1.2 -2,-0.6 2,-0.4 -0.509 15.1-153.9 -85.4 159.1 1.6 3.8 23.8 52 52 A R E -EF 41 61B 25 9,-1.7 9,-1.3 -11,-0.2 2,-0.4 -0.911 16.0-168.8-134.7 101.5 1.8 3.8 27.5 53 53 A V E -EF 40 60B 0 -13,-3.2 -13,-2.0 -2,-0.4 7,-0.2 -0.793 26.0-125.8 -94.2 132.6 5.3 4.5 28.9 54 54 A N >> - 0 0 40 5,-2.9 4,-2.5 -2,-0.4 3,-0.7 -0.686 22.2-152.0 -73.7 110.9 6.2 4.1 32.5 55 55 A P T 34 S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 -16,-0.1 0.625 90.3 46.8 -63.3 -15.5 7.6 7.5 33.2 56 56 A E T 34 S+ 0 0 181 3,-0.1 -2,-0.0 -3,-0.0 -17,-0.0 0.582 128.6 18.6-103.9 -15.0 9.9 6.3 35.9 57 57 A S T <4 S- 0 0 96 -3,-0.7 -4,-0.0 2,-0.1 0, 0.0 0.637 93.0-123.5-123.7 -37.3 11.4 3.2 34.1 58 58 A G < + 0 0 18 -4,-2.5 2,-0.3 1,-0.3 -5,-0.0 0.486 54.4 151.8 101.1 6.4 10.8 3.8 30.4 59 59 A S - 0 0 74 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.4 -0.538 27.1-160.2 -73.4 133.3 8.9 0.5 29.9 60 60 A V E -F 53 0B 57 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.939 16.4-176.3-123.0 139.4 6.4 0.7 27.0 61 61 A K E -F 52 0B 95 -9,-1.3 -9,-1.7 -2,-0.4 2,-1.1 -0.993 30.0-126.1-132.3 135.1 3.4 -1.3 26.0 62 62 A T E -F 51 0B 73 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.716 28.1-177.1 -79.5 99.4 1.3 -0.8 22.9 63 63 A V E - 0 0 7 -13,-1.7 60,-0.3 -2,-1.1 2,-0.3 0.909 62.5 -18.0 -64.1 -47.9 -2.2 -0.4 24.4 64 64 A F E -F 50 0B 38 -14,-1.0 -14,-3.4 58,-0.1 2,-0.5 -0.985 50.5-143.9-160.2 153.0 -4.1 -0.1 21.2 65 65 A Q E -F 49 0B 97 -2,-0.3 -16,-0.3 -16,-0.3 -17,-0.1 -0.984 28.8-126.5-125.7 115.1 -3.5 0.7 17.5 66 66 A V > - 0 0 2 -18,-3.6 3,-0.9 -2,-0.5 2,-0.1 -0.483 33.3-125.2 -66.4 120.3 -6.3 2.6 15.8 67 67 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 -0.366 79.8 11.5 -71.6 144.7 -7.3 0.6 12.7 68 68 A E T 3 S+ 0 0 156 1,-0.2 33,-0.4 -2,-0.1 2,-0.2 0.598 75.4 168.3 66.5 18.5 -7.3 2.0 9.1 69 69 A I < - 0 0 25 -3,-0.9 2,-0.3 -22,-0.3 -1,-0.2 -0.412 26.7-142.9 -62.1 126.3 -5.5 5.2 10.0 70 70 A V + 0 0 39 29,-3.0 29,-0.3 -2,-0.2 2,-0.3 -0.694 23.1 177.7 -89.5 144.3 -4.5 6.8 6.6 71 71 A N - 0 0 45 -2,-0.3 2,-0.5 7,-0.1 7,-0.1 -0.882 21.7-151.1-154.3 118.8 -1.2 8.5 6.4 72 72 A D > - 0 0 51 -2,-0.3 3,-2.2 1,-0.2 5,-0.2 -0.770 19.4-138.5 -89.1 124.1 0.6 10.2 3.5 73 73 A A T 3 S+ 0 0 93 -2,-0.5 -1,-0.2 1,-0.3 -27,-0.0 0.829 109.8 43.4 -49.8 -32.0 4.3 10.0 3.9 74 74 A D T 3 S+ 0 0 125 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.528 109.5 85.1 -91.5 -3.4 4.4 13.6 2.7 75 75 A G S < S- 0 0 8 -3,-2.2 63,-0.2 1,-0.1 62,-0.1 -0.231 70.9-137.4-100.1 179.3 1.4 14.6 4.9 76 76 A Q S S+ 0 0 60 61,-1.4 64,-0.1 60,-0.1 62,-0.1 0.216 73.5 106.6-112.1 7.1 0.3 15.8 8.3 77 77 A N + 0 0 0 -5,-0.2 2,-0.3 60,-0.1 60,-0.1 -0.270 37.7 80.0 -85.1 172.7 -2.7 13.5 8.4 78 78 A G S S- 0 0 0 -7,-0.1 21,-1.6 -2,-0.1 2,-0.6 -0.976 91.5 -0.0 133.0-147.0 -3.1 10.3 10.4 79 79 A L E S+G 98 0C 0 -34,-2.4 19,-0.3 -2,-0.3 -31,-0.1 -0.744 74.8 151.9 -78.9 116.3 -4.1 9.7 14.1 80 80 A L E + 0 0 4 17,-3.1 64,-0.2 -2,-0.6 18,-0.2 0.760 38.6 62.0-113.2 -75.2 -4.5 13.2 15.4 81 81 A G E + 0 0 0 16,-0.3 16,-1.0 62,-0.1 2,-0.2 -0.203 53.9 169.0 -58.4 148.8 -6.8 13.9 18.3 82 82 A F E +G 96 0C 5 62,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.707 9.1 139.7-167.3 110.8 -6.1 12.3 21.7 83 83 A A E -G 95 0C 7 12,-2.6 12,-3.1 -2,-0.2 2,-0.2 -0.971 34.5-133.4-149.3 161.6 -7.7 13.0 25.1 84 84 A F E -G 94 0C 29 -2,-0.3 62,-0.2 10,-0.2 10,-0.2 -0.635 36.4 -95.0-107.8 171.4 -9.0 11.2 28.2 85 85 A H > - 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