==== 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 22-APR-99 1QBI . COMPND 2 MOLECULE: SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER CALCOACETICUS; . AUTHOR A.OUBRIE,H.J.ROZEBOOM,K.H.KALK,J.A.DUINE,B.W.DIJKSTRA . 870 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 61.8 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 28.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 . 97 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 9 3 10 14 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 1 10 1 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 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 16 0, 0.0 320,-2.7 0, 0.0 319,-0.5 0.000 360.0 360.0 360.0 160.2 24.8 52.0 84.7 2 2 A V - 0 0 36 702,-0.4 320,-0.1 318,-0.2 704,-0.1 -0.732 360.0 -99.7 -88.0 141.9 25.6 55.7 84.3 3 3 A P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.225 29.9-128.8 -62.8 142.4 26.1 57.0 80.8 4 4 A L - 0 0 35 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.574 29.5-114.2 -78.2 157.3 29.6 57.5 79.5 5 5 A T > - 0 0 64 -2,-0.2 4,-2.9 1,-0.1 3,-0.3 -0.444 25.5-103.2 -89.3 168.3 30.4 60.9 78.0 6 6 A P H > S+ 0 0 54 0, 0.0 4,-3.3 0, 0.0 414,-0.2 0.870 124.8 49.6 -56.8 -37.4 31.1 61.8 74.4 7 7 A S H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.838 108.3 52.5 -73.9 -31.1 34.8 62.0 75.3 8 8 A Q H 4 S+ 0 0 70 -3,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.925 115.5 41.9 -68.5 -36.6 34.7 58.7 77.1 9 9 A F H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.934 111.2 56.3 -71.5 -43.6 33.2 57.3 73.9 10 10 A A H 3< S+ 0 0 21 -4,-3.3 -1,-0.2 408,-0.4 -2,-0.2 0.859 104.9 51.6 -56.9 -36.1 35.6 59.2 71.7 11 11 A K T 3< S+ 0 0 155 -4,-1.9 2,-2.2 1,-0.2 -1,-0.3 0.591 83.4 93.4 -78.8 -12.1 38.7 57.7 73.4 12 12 A A < + 0 0 12 -3,-1.4 376,-3.5 -4,-0.5 -1,-0.2 -0.325 42.8 135.2 -78.7 59.0 37.4 54.1 72.9 13 13 A K - 0 0 58 -2,-2.2 -1,-0.2 374,-0.2 3,-0.2 0.372 60.9-134.4 -93.0 8.1 39.3 53.7 69.7 14 14 A S > - 0 0 19 371,-0.2 2,-1.2 -3,-0.2 3,-1.0 0.915 26.2-171.8 35.4 65.6 40.6 50.3 70.6 15 15 A E T 3 + 0 0 152 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.777 68.3 71.1 -90.5 92.7 44.1 50.9 69.5 16 16 A N T 3 S+ 0 0 125 -2,-1.2 2,-0.4 1,-0.4 -1,-0.2 0.088 88.1 75.5 178.4 1.8 45.5 47.4 69.8 17 17 A F S < S- 0 0 21 -3,-1.0 2,-0.5 387,-0.0 -1,-0.4 -0.974 72.2-133.7-129.6 145.9 43.6 46.0 66.9 18 18 A D - 0 0 127 418,-2.4 418,-2.4 -2,-0.4 2,-0.4 -0.848 22.6-144.8 -97.6 127.8 44.1 46.4 63.1 19 19 A K E +A 435 0A 74 -2,-0.5 2,-0.4 416,-0.2 416,-0.2 -0.825 21.1 175.1 -96.0 134.0 40.9 47.1 61.2 20 20 A K E -A 434 0A 134 414,-2.6 414,-3.2 -2,-0.4 2,-0.5 -0.997 27.5-133.6-137.8 130.6 40.4 45.7 57.7 21 21 A V E -A 433 0A 50 -2,-0.4 412,-0.2 412,-0.2 3,-0.1 -0.742 22.1-179.9 -80.3 126.1 37.2 46.0 55.6 22 22 A I E S+ 0 0 32 410,-2.9 2,-0.4 -2,-0.5 411,-0.2 0.895 71.9 6.9 -88.6 -56.5 36.4 42.6 54.1 23 23 A L E +A 432 0A 17 409,-1.6 409,-2.7 1,-0.1 -1,-0.4 -0.989 56.5 174.2-126.6 143.0 33.3 43.5 52.2 24 24 A S + 0 0 81 -2,-0.4 407,-0.1 407,-0.2 -1,-0.1 0.279 66.5 72.0-128.6 5.7 31.9 47.0 51.6 25 25 A N + 0 0 129 2,-0.1 406,-0.2 407,-0.0 2,-0.1 0.094 64.4 133.9-114.7 30.0 29.0 46.6 49.2 26 26 A L - 0 0 8 404,-2.1 2,-0.7 403,-0.3 18,-0.0 -0.439 49.6-137.1 -81.5 151.8 26.5 45.0 51.4 27 27 A N S S- 0 0 59 1,-0.2 19,-0.4 -2,-0.1 20,-0.4 -0.920 77.3 -32.6-110.2 111.1 22.9 46.2 51.6 28 28 A K S S- 0 0 42 -2,-0.7 17,-3.1 16,-0.2 -1,-0.2 0.898 76.9-159.6 44.6 57.7 21.5 46.4 55.2 29 29 A P E +D 44 0B 1 0, 0.0 15,-0.3 0, 0.0 -1,-0.1 -0.405 19.4 169.5 -64.3 135.4 23.7 43.5 56.4 30 30 A H E + 0 0 13 13,-2.3 2,-0.4 1,-0.4 378,-0.1 0.752 47.1 23.6-121.5 -57.9 21.9 42.2 59.5 31 31 A A E - 0 0 2 12,-0.2 12,-2.2 364,-0.1 -1,-0.4 -0.924 55.1-172.1-119.0 145.1 23.1 39.0 61.0 32 32 A L E -D 42 0B 0 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.996 4.4-176.2-134.0 147.6 26.4 37.2 60.7 33 33 A L E -D 41 0B 36 8,-3.0 8,-2.9 -2,-0.4 2,-0.8 -0.989 34.2-119.7-137.4 149.8 27.4 33.7 61.9 34 34 A W E -D 40 0B 69 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.792 50.4-140.9 -84.6 110.5 30.5 31.6 62.0 35 35 A G > - 0 0 3 4,-3.4 3,-2.1 -2,-0.8 -1,-0.0 -0.307 18.8-107.6 -77.3 169.7 29.2 28.7 59.8 36 36 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 53,-0.0 0.659 120.7 56.6 -67.3 -15.4 29.7 25.0 60.2 37 37 A D T 3 S- 0 0 61 2,-0.2 3,-0.1 0, 0.0 -2,-0.1 0.215 120.6-108.5 -98.8 9.9 31.9 25.2 57.1 38 38 A N S < S+ 0 0 98 -3,-2.1 2,-0.3 1,-0.3 -4,-0.0 0.744 84.4 120.3 64.6 24.0 34.2 27.7 58.8 39 39 A Q S S- 0 0 40 15,-0.1 -4,-3.4 16,-0.1 2,-0.5 -0.797 70.1-111.6-106.9 162.4 32.9 30.4 56.5 40 40 A I E -DE 34 53B 0 13,-2.7 13,-3.4 -2,-0.3 2,-0.4 -0.800 30.8-162.9 -92.1 131.2 31.2 33.5 57.6 41 41 A W E +DE 33 52B 1 -8,-2.9 -8,-3.0 -2,-0.5 2,-0.3 -0.930 13.4 174.4-115.5 136.3 27.5 33.6 56.7 42 42 A L E -DE 32 51B 0 9,-2.6 9,-3.2 -2,-0.4 2,-0.3 -0.958 19.6-135.1-142.7 155.1 25.6 36.9 56.7 43 43 A T E - E 0 50B 0 -12,-2.2 -13,-2.3 -2,-0.3 2,-0.5 -0.828 6.2-143.0-110.7 155.5 22.2 38.2 55.8 44 44 A E E > -D 29 0B 10 5,-2.6 4,-1.8 -2,-0.3 5,-0.2 -0.977 17.6-152.3-112.4 118.2 21.0 41.2 53.9 45 45 A R T 4 S+ 0 0 25 -17,-3.1 34,-2.8 -2,-0.5 -17,-0.1 0.856 86.9 33.6 -62.8 -43.1 17.8 42.4 55.6 46 46 A A T 4 S+ 0 0 21 -19,-0.4 -1,-0.2 32,-0.2 -18,-0.1 0.899 123.0 42.8 -85.1 -40.8 16.0 44.1 52.7 47 47 A T T 4 S- 0 0 36 -20,-0.4 22,-0.2 2,-0.1 -2,-0.2 0.768 97.0-133.7 -74.9 -28.3 17.2 41.9 49.8 48 48 A G < + 0 0 0 -4,-1.8 18,-2.8 1,-0.3 2,-0.2 0.568 52.1 153.2 84.9 6.3 16.7 38.6 51.7 49 49 A K E - F 0 65B 68 16,-0.3 -5,-2.6 -5,-0.2 2,-0.5 -0.471 35.8-155.2 -72.5 147.2 20.1 37.5 50.5 50 50 A I E -EF 43 64B 0 14,-3.1 13,-2.7 -7,-0.2 14,-1.3 -0.979 18.2-169.1-121.6 113.9 22.3 35.1 52.4 51 51 A L E -EF 42 62B 11 -9,-3.2 -9,-2.6 -2,-0.5 2,-0.4 -0.827 14.5-153.4-108.3 152.4 25.9 35.4 51.7 52 52 A R E -EF 41 61B 34 9,-2.5 9,-2.1 -2,-0.3 2,-0.4 -0.995 15.4-169.4-127.0 125.1 28.9 33.2 52.5 53 53 A V E -EF 40 60B 0 -13,-3.4 -13,-2.7 -2,-0.4 7,-0.2 -0.957 26.1-124.6-120.0 133.2 32.3 34.9 52.8 54 54 A N > - 0 0 39 5,-2.9 4,-2.2 -2,-0.4 -15,-0.1 -0.659 21.7-148.6 -75.7 115.8 35.7 33.2 53.1 55 55 A P T 4 S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 -16,-0.1 0.790 92.0 44.2 -58.6 -29.1 37.0 34.7 56.3 56 56 A E T 4 S+ 0 0 158 1,-0.1 -2,-0.0 3,-0.1 -17,-0.0 0.932 128.3 20.8 -81.5 -51.6 40.6 34.5 55.1 57 57 A S T 4 S- 0 0 71 2,-0.1 3,-0.1 0, 0.0 -1,-0.1 0.678 91.8-129.8 -94.5 -24.8 40.4 35.7 51.5 58 58 A G < + 0 0 17 -4,-2.2 2,-0.0 1,-0.3 -2,-0.0 0.517 51.8 151.6 85.1 5.2 37.1 37.7 51.6 59 59 A S - 0 0 76 -6,-0.1 -5,-2.9 -5,-0.1 2,-0.4 -0.425 27.6-160.7 -67.7 149.1 35.7 35.9 48.5 60 60 A V E -F 53 0B 65 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.974 18.3-171.5-137.4 149.0 31.9 35.9 48.7 61 61 A K E -F 52 0B 97 -9,-2.1 -9,-2.5 -2,-0.4 2,-0.8 -0.998 28.1-126.0-135.2 141.6 29.0 34.0 47.2 62 62 A T E -F 51 0B 63 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.792 26.7-175.7 -85.4 110.5 25.3 34.6 47.4 63 63 A V E - 0 0 6 -13,-2.7 60,-0.3 -2,-0.8 2,-0.3 0.895 62.0 -18.2 -74.6 -40.8 24.0 31.2 48.6 64 64 A F E -F 50 0B 33 -14,-1.3 -14,-3.1 58,-0.2 2,-0.5 -0.986 47.0-140.9-163.3 155.9 20.3 32.2 48.4 65 65 A Q E -F 49 0B 99 -2,-0.3 -16,-0.3 -16,-0.3 -17,-0.1 -0.991 30.7-129.8-125.6 111.6 17.9 35.0 48.2 66 66 A V > - 0 0 2 -18,-2.8 3,-0.9 -2,-0.5 2,-0.1 -0.600 33.2-124.8 -65.0 115.8 14.8 34.4 50.4 67 67 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 -0.374 79.6 11.1 -65.7 149.8 11.9 35.1 48.0 68 68 A E T 3 S+ 0 0 166 1,-0.2 33,-0.5 -2,-0.1 2,-0.1 0.582 75.2 164.6 61.1 21.3 9.2 37.6 48.7 69 69 A I < - 0 0 24 -3,-0.9 2,-0.4 -22,-0.2 -1,-0.2 -0.420 28.3-143.7 -61.7 135.8 10.8 39.1 51.7 70 70 A V + 0 0 42 29,-2.6 2,-0.3 8,-0.2 29,-0.3 -0.894 25.3 170.2-109.0 131.1 9.0 42.4 52.4 71 71 A N - 0 0 41 -2,-0.4 2,-0.5 7,-0.1 7,-0.1 -0.998 25.1-144.3-142.0 140.2 10.9 45.4 53.6 72 72 A D > - 0 0 50 -2,-0.3 3,-2.2 1,-0.1 5,-0.3 -0.900 18.7-135.6-102.5 133.5 10.0 49.1 54.1 73 73 A A T 3 S+ 0 0 93 -2,-0.5 -1,-0.1 1,-0.3 -27,-0.0 0.830 111.1 44.2 -55.5 -30.8 12.8 51.6 53.4 74 74 A D T 3 S+ 0 0 124 -3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.415 110.2 80.6 -95.6 9.7 11.8 53.4 56.6 75 75 A G S < S- 0 0 10 -3,-2.2 63,-0.2 2,-0.1 62,-0.1 -0.519 72.9-133.4-119.6 175.0 11.5 50.1 58.5 76 76 A Q S S+ 0 0 51 61,-3.0 64,-0.2 -2,-0.2 2,-0.1 -0.027 73.7 109.1-106.1 13.3 13.3 47.4 60.5 77 77 A N + 0 0 0 -5,-0.3 2,-0.4 60,-0.2 -2,-0.1 -0.423 37.1 74.4 -91.3 172.1 11.4 44.6 58.7 78 78 A G S S+ 0 0 0 -2,-0.1 21,-1.8 -7,-0.1 2,-0.6 -0.973 93.1 2.0 131.4-141.2 12.7 42.1 56.1 79 79 A L E S+G 98 0C 0 -34,-2.8 19,-0.2 -2,-0.4 -31,-0.1 -0.764 73.3 148.7 -86.7 120.2 14.9 39.0 56.6 80 80 A L E + 0 0 5 17,-2.7 64,-0.2 -2,-0.6 18,-0.2 0.719 39.1 60.7-119.4 -80.1 15.7 38.8 60.3 81 81 A G E + 0 0 0 62,-0.2 16,-1.3 74,-0.1 2,-0.3 -0.200 54.2 169.9 -61.9 142.6 16.3 35.4 62.1 82 82 A F E +G 96 0C 6 62,-0.4 2,-0.3 14,-0.2 62,-0.2 -0.845 7.9 141.6-158.0 122.6 19.1 33.3 60.9 83 83 A A E -G 95 0C 7 12,-2.2 12,-3.1 -2,-0.3 2,-0.3 -0.984 36.9-128.3-157.0 153.7 20.6 30.2 62.4 84 84 A F E -G 94 0C 25 -2,-0.3 10,-0.2 10,-0.2 62,-0.2 -0.742 38.6-100.2 -98.7 151.8 22.1 26.8 61.5 85 85 A H > - 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