==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT, OXIDOREDUCTASE 18-FEB-09 3GB4 . COMPND 2 MOLECULE: DDMC; . SOURCE 2 ORGANISM_SCIENTIFIC: STENOTROPHOMONAS MALTOPHILIA; . AUTHOR T.J.RYDEL,E.J.STURMAN,F.MOSHIRI,G.R.BROWN,Y.QI . 1023 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 275 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 . 3 0.3 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 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.8 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 5 0 4 1 3 1 2 0 0 2 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 6 8 7 6 0 3 3 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 6 0 0 0 3 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 2 A A 0 0 95 0, 0.0 2,-0.8 0, 0.0 256,-0.0 0.000 360.0 360.0 360.0 -46.3 -30.4 -50.3 39.7 2 3 A T + 0 0 81 2,-0.1 2,-0.3 255,-0.0 332,-0.1 -0.830 360.0 147.3-103.5 98.7 -30.0 -49.9 43.5 3 4 A F - 0 0 17 -2,-0.8 2,-1.1 331,-0.1 3,-0.1 -0.888 53.7-119.8-125.6 157.4 -33.2 -48.5 45.0 4 5 A V + 0 0 2 -2,-0.3 109,-0.1 1,-0.2 330,-0.1 -0.829 37.3 175.7 -96.9 95.3 -34.9 -48.9 48.3 5 6 A R + 0 0 64 -2,-1.1 2,-1.7 1,-0.2 108,-1.1 0.769 59.7 77.2 -74.6 -28.2 -38.2 -50.3 46.9 6 7 A N S S+ 0 0 20 106,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.537 83.2 77.4 -86.2 74.1 -39.9 -51.0 50.3 7 8 A A S S- 0 0 2 -2,-1.7 2,-0.4 103,-0.1 106,-0.3 -0.959 84.4 -93.7-169.1 159.6 -40.8 -47.5 51.2 8 9 A W - 0 0 18 -2,-0.3 2,-0.3 114,-0.2 103,-0.2 -0.720 41.3-179.2 -88.6 134.8 -43.4 -44.8 50.4 9 10 A Y E -A 110 0A 4 101,-2.4 101,-3.1 -2,-0.4 2,-0.5 -0.946 32.3-110.8-129.7 152.3 -42.5 -42.3 47.7 10 11 A V E +A 109 0A 0 -2,-0.3 99,-0.2 99,-0.2 251,-0.1 -0.701 31.5 177.5 -83.2 129.0 -44.4 -39.4 46.2 11 12 A A E - 0 0 0 97,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.653 61.9 -16.1-104.2 -22.3 -45.5 -40.1 42.7 12 13 A A E -A 108 0A 0 96,-0.9 96,-2.0 251,-0.0 -1,-0.4 -0.984 62.5-102.3-169.9 168.8 -47.4 -37.0 41.9 13 14 A L >> - 0 0 7 -2,-0.3 3,-1.9 94,-0.2 4,-0.6 -0.798 41.4-115.2 -98.5 146.5 -49.2 -33.9 43.3 14 15 A P G >4 S+ 0 0 21 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.859 113.4 60.6 -49.8 -41.4 -53.0 -34.1 43.4 15 16 A E G 34 S+ 0 0 135 1,-0.3 91,-0.0 91,-0.2 -3,-0.0 0.712 96.2 61.6 -63.0 -20.9 -53.4 -31.3 40.8 16 17 A E G <4 S+ 0 0 59 -3,-1.9 -1,-0.3 2,-0.0 2,-0.2 0.728 94.0 80.4 -77.8 -20.9 -51.5 -33.3 38.2 17 18 A L << + 0 0 10 -3,-1.4 2,-0.2 -4,-0.6 17,-0.1 -0.608 47.8 130.7 -94.6 149.8 -54.1 -36.2 38.3 18 19 A S S S- 0 0 53 2,-0.5 17,-2.4 15,-0.3 4,-0.1 -0.861 74.0 -62.0-165.6-165.2 -57.4 -36.5 36.5 19 20 A E S S+ 0 0 117 -2,-0.2 41,-0.3 15,-0.2 -2,-0.0 0.682 114.6 82.5 -71.4 -16.2 -59.4 -38.9 34.3 20 21 A K S S- 0 0 168 39,-0.1 -2,-0.5 1,-0.0 39,-0.1 -0.816 93.6-118.3 -90.7 114.1 -56.7 -38.5 31.7 21 22 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.109 17.7-143.7 -52.9 142.9 -53.9 -40.9 32.8 22 23 A L E -C 33 0B 43 11,-3.0 11,-2.9 -4,-0.1 2,-0.6 -0.957 9.3-148.9-111.2 123.3 -50.4 -39.6 33.7 23 24 A G E +C 32 0B 41 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.836 30.5 157.8 -94.1 123.1 -47.5 -41.8 32.6 24 25 A R E -C 31 0B 26 7,-2.0 7,-3.0 -2,-0.6 2,-0.5 -0.998 35.2-132.1-147.4 142.1 -44.6 -41.5 35.0 25 26 A T E -C 30 0B 43 -2,-0.3 2,-0.4 5,-0.3 3,-0.1 -0.828 21.6-177.5 -99.4 128.8 -41.6 -43.7 35.9 26 27 A I E > S-C 29 0B 3 3,-2.8 3,-1.6 -2,-0.5 229,-0.3 -0.988 73.1 -13.8-126.1 122.5 -40.8 -44.4 39.5 27 28 A L T 3 S- 0 0 0 227,-2.2 229,-0.2 -2,-0.4 -1,-0.2 0.938 129.8 -53.6 50.2 50.2 -37.7 -46.4 40.5 28 29 A D T 3 S+ 0 0 73 227,-3.0 -1,-0.3 1,-0.2 228,-0.1 0.616 116.3 120.1 61.7 14.8 -37.4 -47.6 36.9 29 30 A T E < -C 26 0B 3 -3,-1.6 -3,-2.8 226,-0.2 2,-0.4 -0.946 61.4-136.4-113.7 118.3 -41.0 -48.8 37.0 30 31 A P E -C 25 0B 12 0, 0.0 16,-2.9 0, 0.0 2,-0.3 -0.609 27.4-167.7 -77.6 124.7 -43.4 -47.2 34.5 31 32 A L E -CD 24 45B 3 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.6 -0.806 24.2-147.1-116.0 153.9 -46.7 -46.2 36.1 32 33 A A E -CD 23 44B 0 12,-2.8 12,-2.2 -2,-0.3 2,-0.5 -0.971 26.2-171.7-116.3 110.2 -50.2 -45.1 34.8 33 34 A L E +CD 22 43B 0 -11,-2.9 -11,-3.0 -2,-0.6 2,-0.3 -0.907 16.4 144.9-110.1 130.6 -51.6 -42.7 37.4 34 35 A Y E - D 0 42B 0 8,-1.9 8,-3.0 -2,-0.5 2,-0.6 -0.993 45.3-114.4-159.1 161.2 -55.2 -41.4 37.3 35 36 A R E - D 0 41B 54 -17,-2.4 6,-0.2 -2,-0.3 5,-0.1 -0.896 32.8-137.8-104.4 122.8 -58.2 -40.4 39.3 36 37 A Q > - 0 0 39 4,-3.0 3,-2.4 -2,-0.6 28,-0.1 -0.215 32.2 -96.9 -71.9 166.2 -61.3 -42.6 38.9 37 38 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -18,-0.0 0.814 125.3 58.2 -55.8 -29.7 -64.8 -41.2 38.6 38 39 A D T 3 S- 0 0 115 2,-0.1 3,-0.1 25,-0.1 -2,-0.1 0.456 122.2-108.1 -80.0 1.8 -65.4 -41.6 42.4 39 40 A G S < S+ 0 0 30 -3,-2.4 2,-0.4 1,-0.3 -1,-0.1 0.415 76.4 133.3 90.0 -1.6 -62.4 -39.4 43.0 40 41 A V - 0 0 78 -5,-0.1 -4,-3.0 1,-0.0 -1,-0.3 -0.677 54.6-124.9 -87.4 135.0 -60.1 -42.2 44.2 41 42 A V E -D 35 0B 10 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.529 24.4-163.6 -79.1 141.9 -56.6 -42.3 42.7 42 43 A A E -D 34 0B 2 -8,-3.0 -8,-1.9 -2,-0.2 2,-0.4 -0.938 8.1-162.9-125.1 149.0 -55.3 -45.5 41.0 43 44 A A E +D 33 0B 1 33,-0.4 56,-2.8 56,-0.3 2,-0.3 -0.935 16.2 172.8-136.0 109.7 -51.8 -46.6 40.1 44 45 A L E -DE 32 98B 0 -12,-2.2 -12,-2.8 -2,-0.4 2,-0.3 -0.836 44.5 -95.9-116.2 153.5 -51.2 -49.4 37.6 45 46 A L E -D 31 0B 11 52,-2.4 2,-2.0 -2,-0.3 -14,-0.3 -0.539 40.4-128.2 -64.2 126.8 -48.1 -50.8 36.0 46 47 A D S S+ 0 0 2 -16,-2.9 2,-0.3 -2,-0.3 -1,-0.1 -0.245 81.4 94.1 -77.2 51.3 -48.1 -48.9 32.6 47 48 A I S S- 0 0 4 -2,-2.0 50,-0.2 7,-0.2 6,-0.2 -0.890 73.8-131.9-146.2 107.9 -47.7 -52.1 30.6 48 49 A C > - 0 0 3 5,-2.6 4,-2.1 -2,-0.3 47,-0.1 -0.375 14.1-134.6 -64.0 133.6 -50.8 -54.0 29.3 49 50 A P T 4 S+ 0 0 19 0, 0.0 608,-2.2 0, 0.0 -1,-0.1 0.717 98.3 59.3 -59.8 -23.8 -50.7 -57.7 30.0 50 51 A H T 4 S- 0 0 3 606,-0.2 607,-0.4 44,-0.1 609,-0.0 0.996 135.4 -20.5 -70.8 -73.0 -51.7 -58.5 26.5 51 52 A R T 4 S- 0 0 30 605,-0.2 -1,-0.1 607,-0.0 -3,-0.1 0.126 92.4-101.7-128.6 20.2 -49.0 -57.0 24.3 52 53 A F < + 0 0 29 -4,-2.1 593,-0.1 1,-0.2 597,-0.1 0.608 60.1 161.0 73.7 18.2 -47.4 -54.4 26.6 53 54 A A - 0 0 0 -6,-0.2 -5,-2.6 1,-0.1 2,-0.7 -0.281 51.6 -93.9 -67.4 156.0 -49.0 -51.2 25.2 54 55 A P > - 0 0 1 0, 0.0 3,-1.6 0, 0.0 -7,-0.2 -0.611 28.7-162.8 -76.1 113.9 -48.9 -48.1 27.5 55 56 A L G > S+ 0 0 0 -2,-0.7 3,-2.0 1,-0.3 11,-0.1 0.784 86.8 71.9 -64.2 -25.2 -52.1 -48.0 29.5 56 57 A S G 3 S+ 0 0 14 1,-0.3 -1,-0.3 -10,-0.1 -33,-0.1 0.670 90.1 59.3 -65.7 -16.5 -51.3 -44.4 30.2 57 58 A D G < S+ 0 0 86 -3,-1.6 -1,-0.3 -35,-0.1 -2,-0.2 0.372 95.7 87.2 -91.0 2.7 -52.1 -43.5 26.6 58 59 A G S < S- 0 0 7 -3,-2.0 2,-0.3 -4,-0.1 9,-0.2 -0.207 70.8-126.3 -92.3-173.0 -55.6 -44.8 27.0 59 60 A I E -F 66 0C 94 7,-0.7 7,-2.7 -39,-0.1 2,-0.3 -0.879 27.8 -95.9-130.9 163.1 -58.9 -43.3 28.2 60 61 A L E -F 65 0C 29 -41,-0.3 2,-0.5 -2,-0.3 5,-0.2 -0.634 32.7-169.3 -82.3 135.0 -61.5 -44.1 30.8 61 62 A V E > S-F 64 0C 33 3,-3.6 3,-1.4 -2,-0.3 -1,-0.0 -0.950 76.6 -20.7-127.8 107.7 -64.5 -46.0 29.6 62 63 A N T 3 S- 0 0 139 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.915 130.9 -48.7 59.8 42.5 -67.3 -46.3 32.1 63 64 A G T 3 S+ 0 0 15 1,-0.2 2,-0.4 12,-0.0 -1,-0.3 0.434 119.7 108.9 79.9 -1.9 -64.8 -45.5 34.9 64 65 A H E < S-F 61 0C 59 -3,-1.4 -3,-3.6 11,-0.1 2,-0.5 -0.883 74.0-115.7-112.9 143.0 -62.3 -48.1 33.7 65 66 A L E -FG 60 74C 0 9,-1.4 9,-2.2 -2,-0.4 2,-0.5 -0.611 32.6-154.0 -75.0 120.3 -58.9 -47.5 32.0 66 67 A Q E -FG 59 73C 13 -7,-2.7 -7,-0.7 -2,-0.5 7,-0.2 -0.846 16.9-120.2 -99.9 127.9 -59.1 -48.9 28.5 67 68 A C > - 0 0 3 5,-3.1 4,-1.3 -2,-0.5 -12,-0.1 -0.469 17.0-140.2 -64.7 132.5 -55.9 -50.1 26.7 68 69 A P T 4 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -13,-0.1 0.583 92.0 57.6 -70.9 -9.6 -55.5 -48.0 23.5 69 70 A Y T 4 S- 0 0 8 435,-0.1 436,-0.7 3,-0.1 435,-0.4 0.965 129.3 -9.1 -87.9 -64.0 -54.2 -51.0 21.5 70 71 A H T 4 S- 0 0 3 434,-0.1 -1,-0.0 433,-0.1 432,-0.0 0.189 95.5-104.8-123.8 17.0 -56.9 -53.8 21.6 71 72 A G < + 0 0 1 -4,-1.3 2,-0.0 1,-0.2 430,-0.0 0.543 54.6 160.5 79.3 8.3 -59.4 -52.5 24.2 72 73 A L - 0 0 2 11,-0.1 -5,-3.1 -6,-0.1 2,-0.4 -0.409 29.2-146.0 -62.0 142.6 -58.9 -54.5 27.4 73 74 A E E -GH 66 82C 20 9,-2.2 8,-2.0 -7,-0.2 9,-1.2 -0.911 14.9-168.4-115.9 141.2 -60.4 -52.6 30.3 74 75 A F E -GH 65 80C 0 -9,-2.2 -9,-1.4 -2,-0.4 6,-0.2 -0.918 13.4-135.5-128.9 153.3 -59.1 -52.5 33.9 75 76 A D > - 0 0 36 4,-2.2 3,-2.7 -2,-0.3 -11,-0.1 -0.504 43.7 -89.6 -98.4 173.4 -60.3 -51.4 37.3 76 77 A G T 3 S+ 0 0 14 1,-0.3 -33,-0.4 -2,-0.2 -1,-0.1 0.700 127.2 55.3 -54.4 -23.6 -58.4 -49.5 39.9 77 78 A G T 3 S- 0 0 53 2,-0.1 -1,-0.3 -35,-0.1 21,-0.2 0.421 120.7-106.7 -90.5 0.7 -57.2 -52.7 41.5 78 79 A G S < S+ 0 0 2 -3,-2.7 18,-2.7 1,-0.3 2,-0.3 0.512 70.9 144.7 89.3 3.6 -55.8 -53.9 38.2 79 80 A Q - 0 0 115 16,-0.2 -4,-2.2 1,-0.1 2,-0.7 -0.591 55.2-121.6 -77.3 134.5 -58.5 -56.5 37.5 80 81 A C E +H 74 0C 2 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.692 34.1 177.1 -76.6 117.7 -59.4 -56.9 33.9 81 82 A V E + 0 0 39 -8,-2.0 2,-0.3 -2,-0.7 -7,-0.2 0.499 61.8 29.7-101.0 -7.2 -63.1 -56.1 33.9 82 83 A H E -H 73 0C 76 -9,-1.2 -9,-2.2 7,-0.0 -1,-0.3 -0.890 48.6-179.7-160.2 126.2 -63.8 -56.4 30.1 83 84 A N - 0 0 12 5,-0.4 -11,-0.1 -2,-0.3 -12,-0.1 -0.963 9.6-167.3-123.2 108.3 -62.3 -58.3 27.2 84 85 A P + 0 0 28 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.402 58.2 95.1 -76.8 4.1 -64.1 -57.5 23.9 85 86 A H S > S- 0 0 11 4,-0.1 3,-2.3 2,-0.0 4,-0.3 -0.778 89.7 -36.0-106.8 143.2 -62.6 -60.4 22.0 86 87 A G T 3 S- 0 0 54 -2,-0.4 432,-0.0 1,-0.3 -3,-0.0 -0.246 128.5 -8.6 56.0-133.1 -63.9 -63.9 21.3 87 88 A N T 3 S- 0 0 146 1,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.481 94.7-121.2 -75.0 -0.2 -65.9 -65.4 24.1 88 89 A G < + 0 0 20 -3,-2.3 -5,-0.4 1,-0.2 -2,-0.2 0.723 50.8 170.8 67.9 22.3 -64.8 -62.4 26.2 89 90 A A - 0 0 48 -4,-0.3 -1,-0.2 1,-0.1 -4,-0.1 -0.288 23.7-154.4 -64.1 149.8 -63.2 -64.7 28.7 90 91 A R - 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