==== 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 27-MAR-09 3GTE . COMPND 2 MOLECULE: DDMC; . SOURCE 2 ORGANISM_SCIENTIFIC: STENOTROPHOMONAS MALTOPHILIA; . AUTHOR T.J.RYDEL,E.J.STURMAN,F.MOSHIRI,G.R.BROWN,Y.QI . 1014 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 709 69.9 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 . 279 27.5 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 . 2 0.2 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 . 93 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 6 0 5 1 2 1 1 1 1 0 2 0 0 0 0 0 3 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 . 3 7 8 6 7 1 1 3 3 6 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 89 0, 0.0 2,-0.7 0, 0.0 255,-0.0 0.000 360.0 360.0 360.0 171.6 -23.8 -28.0 32.5 2 3 A T + 0 0 81 2,-0.0 2,-0.3 255,-0.0 332,-0.1 -0.899 360.0 154.4-107.3 110.1 -27.5 -27.8 31.4 3 4 A F - 0 0 18 -2,-0.7 2,-0.9 331,-0.1 335,-0.0 -0.881 48.2-123.4-130.7 161.9 -28.0 -27.0 27.7 4 5 A V + 0 0 2 -2,-0.3 109,-0.1 1,-0.2 330,-0.1 -0.870 35.7 173.9-104.6 94.5 -30.6 -27.6 25.1 5 6 A R + 0 0 66 -2,-0.9 2,-2.0 1,-0.2 108,-1.1 0.799 57.9 78.2 -75.6 -30.7 -28.5 -29.4 22.5 6 7 A N S S+ 0 0 48 106,-0.2 2,-0.3 107,-0.1 -1,-0.2 -0.481 83.7 73.8 -83.4 74.2 -31.2 -30.4 20.0 7 8 A A S S- 0 0 2 -2,-2.0 2,-0.4 103,-0.1 106,-0.3 -0.964 85.1 -90.5-171.6 160.8 -31.6 -27.0 18.3 8 9 A W - 0 0 18 -2,-0.3 2,-0.3 114,-0.2 103,-0.2 -0.678 41.2-178.4 -86.3 133.5 -29.9 -24.7 15.9 9 10 A Y E -A 110 0A 4 101,-2.5 101,-3.0 -2,-0.4 2,-0.4 -0.948 32.6-111.0-128.0 150.5 -27.5 -22.1 17.3 10 11 A V E +A 109 0A 0 -2,-0.3 99,-0.2 242,-0.2 251,-0.1 -0.682 31.9 178.6 -80.3 130.0 -25.5 -19.5 15.5 11 12 A A E - 0 0 1 97,-3.3 2,-0.3 -2,-0.4 -1,-0.2 0.640 61.1 -20.3-104.7 -21.6 -21.8 -20.4 15.7 12 13 A A E -A 108 0A 0 96,-1.0 96,-2.2 249,-0.0 -1,-0.4 -0.980 63.2 -97.2-174.5 166.4 -20.4 -17.5 13.8 13 14 A L >> - 0 0 4 -2,-0.3 3,-2.0 94,-0.2 4,-0.6 -0.749 42.3-115.0 -93.5 146.9 -21.0 -14.7 11.3 14 15 A P G >4 S+ 0 0 18 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.874 114.4 57.9 -47.4 -44.9 -20.0 -15.5 7.7 15 16 A E G 34 S+ 0 0 127 1,-0.3 91,-0.0 91,-0.1 -3,-0.0 0.681 95.3 64.9 -63.7 -19.1 -17.2 -12.8 7.7 16 17 A E G <4 S+ 0 0 54 -3,-2.0 2,-0.3 2,-0.0 -1,-0.3 0.717 94.0 75.7 -77.4 -19.2 -15.5 -14.5 10.7 17 18 A L << + 0 0 7 -3,-1.5 2,-0.2 -4,-0.6 17,-0.1 -0.675 49.5 132.4-101.1 151.0 -14.7 -17.6 8.7 18 19 A S S S- 0 0 56 2,-0.5 17,-2.5 15,-0.3 4,-0.1 -0.814 74.0 -60.5-162.3-160.4 -12.1 -18.3 6.0 19 20 A E S S+ 0 0 116 -2,-0.2 41,-0.3 15,-0.2 -2,-0.0 0.657 116.1 82.0 -75.1 -13.6 -9.5 -20.9 5.1 20 21 A K S S- 0 0 167 39,-0.1 -2,-0.5 1,-0.0 39,-0.1 -0.845 93.6-121.0 -92.4 112.1 -7.8 -20.0 8.4 21 22 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.156 17.2-145.0 -55.6 143.6 -9.8 -22.1 11.0 22 23 A L E -C 33 0B 43 11,-2.8 11,-2.9 -4,-0.1 2,-0.6 -0.953 8.5-147.8-111.8 126.6 -11.6 -20.4 13.9 23 24 A G E +C 32 0B 42 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.859 30.3 158.4 -97.1 124.0 -11.6 -22.2 17.2 24 25 A R E -C 31 0B 19 7,-1.9 7,-2.6 -2,-0.6 2,-0.5 -0.998 34.7-132.4-146.8 142.1 -14.8 -21.6 19.2 25 26 A T E -C 30 0B 42 -2,-0.3 2,-0.4 5,-0.2 3,-0.1 -0.828 21.9-178.0 -99.6 129.7 -16.6 -23.4 22.0 26 27 A I E > S-C 29 0B 3 3,-2.5 3,-1.8 -2,-0.5 229,-0.3 -0.993 73.4 -12.6-126.5 125.9 -20.4 -23.9 21.7 27 28 A L T 3 S- 0 0 0 227,-2.5 229,-0.2 -2,-0.4 -1,-0.2 0.913 130.4 -53.9 47.5 49.3 -22.4 -25.5 24.5 28 29 A D T 3 S+ 0 0 64 227,-3.3 -1,-0.3 1,-0.2 228,-0.1 0.659 115.5 120.2 60.1 20.1 -19.1 -26.7 26.1 29 30 A T E < -C 26 0B 1 -3,-1.8 -3,-2.5 226,-0.2 2,-0.3 -0.956 60.7-137.2-117.3 115.9 -18.1 -28.3 22.8 30 31 A P E -C 25 0B 14 0, 0.0 16,-2.7 0, 0.0 2,-0.3 -0.572 27.9-170.0 -74.4 128.6 -14.8 -27.0 21.1 31 32 A L E -CD 24 45B 3 -7,-2.6 -7,-1.9 -2,-0.3 2,-0.6 -0.862 24.9-145.3-121.3 154.2 -15.3 -26.6 17.3 32 33 A A E -CD 23 44B 0 12,-2.8 12,-2.3 -2,-0.3 2,-0.5 -0.977 26.1-169.7-115.8 112.6 -13.0 -25.9 14.4 33 34 A L E +CD 22 43B 0 -11,-2.9 -11,-2.8 -2,-0.6 2,-0.3 -0.912 17.6 145.5-109.8 129.2 -14.9 -23.7 11.9 34 35 A Y E - D 0 42B 0 8,-2.0 8,-3.3 -2,-0.5 2,-0.5 -0.990 43.6-117.3-157.4 161.7 -13.6 -23.0 8.4 35 36 A R E - D 0 41B 56 -17,-2.5 6,-0.2 -2,-0.3 5,-0.1 -0.903 31.6-136.7-106.7 126.9 -14.6 -22.4 4.8 36 37 A Q > - 0 0 35 4,-3.0 3,-2.6 -2,-0.5 28,-0.1 -0.240 32.3 -95.4 -75.6 167.7 -13.4 -24.9 2.2 37 38 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 26,-0.0 0.846 126.7 55.2 -52.5 -36.4 -12.1 -23.9 -1.2 38 39 A D T 3 S- 0 0 117 2,-0.1 3,-0.1 25,-0.1 -2,-0.1 0.351 122.9-107.4 -80.7 8.0 -15.5 -24.4 -2.8 39 40 A G S < S+ 0 0 30 -3,-2.6 2,-0.4 1,-0.3 -1,-0.1 0.360 74.8 137.3 85.3 -5.2 -16.9 -21.9 -0.2 40 41 A V - 0 0 76 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.616 51.5-128.3 -80.5 130.9 -18.7 -24.5 1.9 41 42 A V E -D 35 0B 10 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.572 23.6-164.2 -79.2 137.8 -18.4 -24.0 5.6 42 43 A A E -D 34 0B 2 -8,-3.3 -8,-2.0 -2,-0.3 2,-0.4 -0.912 9.4-164.0-122.8 149.4 -17.3 -27.0 7.8 43 44 A A E +D 33 0B 0 33,-0.4 56,-3.1 56,-0.4 2,-0.3 -0.916 15.8 174.4-136.4 107.5 -17.5 -27.5 11.6 44 45 A L E -DE 32 98B 0 -12,-2.3 -12,-2.8 -2,-0.4 2,-0.3 -0.783 43.8 -94.3-112.9 156.1 -15.5 -30.3 13.1 45 46 A L E -D 31 0B 10 52,-2.5 2,-2.1 -2,-0.3 -14,-0.3 -0.552 40.1-128.0 -65.3 127.6 -14.9 -31.2 16.8 46 47 A D S S+ 0 0 3 -16,-2.7 2,-0.3 -2,-0.3 -1,-0.1 -0.178 82.2 93.9 -76.6 47.6 -11.7 -29.3 17.7 47 48 A I S S- 0 0 4 -2,-2.1 50,-0.2 7,-0.2 6,-0.2 -0.876 74.6-132.0-143.3 105.4 -10.1 -32.5 19.0 48 49 A C > - 0 0 2 5,-2.7 4,-2.1 -2,-0.3 47,-0.1 -0.318 14.6-134.3 -59.4 134.1 -7.9 -34.6 16.7 49 50 A P T 4 S+ 0 0 16 0, 0.0 942,-2.1 0, 0.0 -1,-0.2 0.755 99.3 57.9 -60.4 -26.0 -8.8 -38.4 17.0 50 51 A H T 4 S- 0 0 2 940,-0.2 941,-0.4 44,-0.2 -2,-0.0 0.996 135.6 -19.0 -69.9 -75.5 -5.1 -39.3 17.3 51 52 A R T 4 S- 0 0 33 939,-0.1 -1,-0.1 941,-0.0 -3,-0.1 0.149 91.6-102.9-124.8 21.2 -3.9 -37.4 20.3 52 53 A F < + 0 0 28 -4,-2.1 927,-0.1 1,-0.2 931,-0.1 0.600 61.1 159.5 73.5 16.4 -6.5 -34.6 20.8 53 54 A A - 0 0 1 -6,-0.2 -5,-2.7 1,-0.1 2,-0.8 -0.238 53.0 -91.7 -66.8 158.9 -4.6 -31.7 19.4 54 55 A P > - 0 0 1 0, 0.0 3,-1.8 0, 0.0 -7,-0.2 -0.632 30.8-166.4 -76.9 107.9 -6.5 -28.6 18.3 55 56 A L G > S+ 0 0 0 -2,-0.8 3,-2.3 1,-0.3 11,-0.1 0.813 85.9 71.7 -61.5 -27.9 -7.4 -29.0 14.6 56 57 A S G 3 S+ 0 0 13 1,-0.3 -1,-0.3 -10,-0.1 -33,-0.1 0.653 90.2 59.8 -64.0 -13.5 -8.3 -25.3 14.7 57 58 A D G < S+ 0 0 83 -3,-1.8 -1,-0.3 -35,-0.1 -2,-0.2 0.409 95.7 84.4 -93.4 2.0 -4.6 -24.5 15.0 58 59 A G S < S- 0 0 8 -3,-2.3 2,-0.3 -4,-0.1 9,-0.2 -0.222 72.6-123.4 -93.8-174.6 -3.9 -26.2 11.7 59 60 A I E -F 66 0C 104 7,-0.6 7,-3.0 -39,-0.1 2,-0.4 -0.810 28.7 -95.8-124.7 167.2 -4.0 -25.1 8.1 60 61 A L E -F 65 0C 27 -41,-0.3 2,-0.5 -2,-0.3 5,-0.2 -0.706 31.7-170.3 -87.6 134.8 -5.8 -26.3 5.0 61 62 A V E > S-F 64 0C 35 3,-3.5 3,-1.8 -2,-0.4 -2,-0.0 -0.983 79.4 -16.6-126.6 113.2 -4.0 -28.6 2.6 62 63 A N T 3 S- 0 0 137 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.884 130.6 -53.8 58.6 37.0 -5.7 -29.3 -0.7 63 64 A G T 3 S+ 0 0 10 1,-0.2 2,-0.4 -28,-0.1 -1,-0.3 0.516 118.5 115.0 77.3 3.9 -8.9 -27.9 1.0 64 65 A H E < S-F 61 0C 55 -3,-1.8 -3,-3.5 11,-0.1 2,-0.5 -0.884 72.0-115.3-110.8 138.7 -8.5 -30.4 3.9 65 66 A L E -FG 60 74C 0 9,-1.5 9,-1.9 -2,-0.4 2,-0.5 -0.584 29.9-152.9 -75.0 119.9 -7.8 -29.4 7.5 66 67 A Q E -FG 59 73C 55 -7,-3.0 -7,-0.6 -2,-0.5 7,-0.2 -0.816 16.2-122.9 -98.0 125.0 -4.4 -30.7 8.6 67 68 A C > - 0 0 3 5,-3.0 4,-1.2 -2,-0.5 -12,-0.1 -0.450 16.8-139.5 -62.8 132.6 -3.8 -31.4 12.2 68 69 A P T 4 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 904,-0.1 0.588 92.0 58.6 -71.2 -9.3 -0.8 -29.3 13.4 69 70 A Y T 4 S- 0 0 23 3,-0.1 903,-0.0 903,-0.1 -3,-0.0 0.969 128.5 -9.3 -86.7 -64.5 0.6 -32.1 15.5 70 71 A H T 4 S- 0 0 15 2,-0.1 -1,-0.0 15,-0.0 -3,-0.0 0.257 95.0-105.4-121.7 11.4 1.2 -35.2 13.3 71 72 A G < + 0 0 13 -4,-1.2 -13,-0.0 1,-0.2 0, 0.0 0.526 55.1 159.6 84.5 5.2 -0.4 -34.2 10.0 72 73 A L - 0 0 1 -6,-0.1 -5,-3.0 11,-0.1 2,-0.4 -0.383 29.7-146.3 -60.5 143.4 -3.6 -36.2 9.7 73 74 A E E -GH 66 82C 19 9,-2.0 8,-2.6 -7,-0.2 9,-1.1 -0.910 14.0-166.8-116.8 143.6 -5.9 -34.5 7.2 74 75 A F E -GH 65 80C 0 -9,-1.9 -9,-1.5 -2,-0.4 6,-0.2 -0.926 12.3-137.7-129.0 151.5 -9.7 -34.4 7.3 75 76 A D > - 0 0 29 4,-2.1 3,-2.5 -2,-0.3 -11,-0.1 -0.456 45.8 -87.2 -96.4 176.4 -12.5 -33.4 4.9 76 77 A G T 3 S+ 0 0 16 1,-0.3 -33,-0.4 -2,-0.2 -1,-0.0 0.702 127.2 59.3 -57.1 -19.6 -15.5 -31.3 5.7 77 78 A G T 3 S- 0 0 51 2,-0.1 21,-0.3 -35,-0.1 -1,-0.3 0.509 118.9-108.0 -88.1 -4.2 -17.3 -34.5 6.8 78 79 A G S < S+ 0 0 1 -3,-2.5 18,-3.3 1,-0.3 2,-0.3 0.381 72.2 144.8 93.4 -3.1 -14.7 -35.3 9.4 79 80 A Q - 0 0 113 16,-0.2 -4,-2.1 1,-0.1 2,-0.5 -0.494 54.9-122.6 -72.1 129.4 -13.4 -38.2 7.4 80 81 A C E +H 74 0C 5 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.641 33.6 175.7 -73.5 122.5 -9.6 -38.7 7.6 81 82 A V E + 0 0 42 -8,-2.6 2,-0.3 -2,-0.5 -7,-0.2 0.460 61.4 30.8-108.4 -4.4 -8.4 -38.4 4.1 82 83 A H E -H 73 0C 78 -9,-1.1 -9,-2.0 7,-0.1 -1,-0.3 -0.901 47.9-179.8-160.7 128.6 -4.6 -38.7 4.7 83 84 A N - 0 0 8 5,-0.4 -11,-0.1 -2,-0.3 -12,-0.1 -0.943 10.2-166.3-126.6 104.8 -2.3 -40.4 7.2 84 85 A P + 0 0 64 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.399 59.3 94.8 -74.8 8.4 1.3 -39.7 6.5 85 86 A H S > S- 0 0 30 4,-0.1 3,-2.5 2,-0.0 4,-0.3 -0.806 89.9 -37.7-110.5 143.0 2.5 -42.5 8.8 86 87 A G T 3 S- 0 0 64 -2,-0.4 -3,-0.0 1,-0.3 907,-0.0 -0.258 128.9 -7.4 55.1-132.7 3.5 -46.1 8.3 87 88 A N T 3 S- 0 0 140 1,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.461 93.9-124.0 -73.5 -0.1 1.3 -47.9 5.7 88 89 A G < + 0 0 17 -3,-2.5 -5,-0.4 1,-0.2 -2,-0.1 0.723 48.7 171.5 64.3 21.6 -0.8 -44.7 5.7 89 90 A A - 0 0 47 -4,-0.3 -1,-0.2 1,-0.1 -4,-0.1 -0.305 24.1-154.3 -63.3 147.3 -3.9 -46.8 6.5 90 91 A R - 0 0 136 -9,-0.1 -1,-0.1 -10,-0.0 -10,-0.1 -0.653 15.7-176.6-126.4 75.3 -7.0 -44.8 7.4 91 92 A P > - 0 0 65 0, 0.0 3,-2.2 0, 0.0 -11,-0.2 -0.253 43.3-103.2 -67.3 160.6 -9.3 -46.9 9.7 92 93 A A G > S+ 0 0 79 1,-0.3 3,-1.9 2,-0.2 -12,-0.1 0.763 116.0 73.5 -55.2 -28.5 -12.7 -45.5 10.7 93 94 A S G 3 S+ 0 0 76 1,-0.3 -1,-0.3 899,-0.1 898,-0.1 0.599 87.8 63.4 -63.8 -11.8 -11.3 -44.7 14.2 94 95 A L G < S+ 0 0 1 -3,-2.2 -1,-0.3 -14,-0.1 2,-0.2 0.463 79.4 104.3 -92.6 -1.7 -9.3 -41.8 12.6 95 96 A N < - 0 0 66 -3,-1.9 2,-0.3 -4,-0.1 -16,-0.2 -0.525 61.7-142.9 -79.7 148.9 -12.5 -39.9 11.6 96 97 A V - 0 0 11 -18,-3.3 2,-0.1 -2,-0.2 -48,-0.1 -0.807 28.1 -91.1-111.6 153.5 -13.5 -36.8 13.6 97 98 A R - 0 0 97 -2,-0.3 -52,-2.5 -50,-0.2 2,-0.4 -0.400 39.1-161.2 -64.9 132.0 -17.0 -35.7 14.5 98 99 A S B -E 44 0B 46 -21,-0.3 -54,-0.2 -54,-0.2 -21,-0.1 -0.956 9.8-139.2-116.6 134.3 -18.5 -33.3 12.0 99 100 A F - 0 0 5 -56,-3.1 -56,-0.4 -2,-0.4 2,-0.1 -0.715 24.1-103.1 -99.4 144.1 -21.5 -31.1 12.9 100 101 A P - 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