==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REDUCTASE 24-APR-97 2DMR . COMPND 2 MOLECULE: DMSO REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR A.S.MCALPINE,S.BAILEY . 771 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 495 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 0 0.0 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 . 52 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 3 2 5 4 2 2 0 3 1 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 3 2 3 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 . 6 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 1 1 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 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 3 A L 0 0 174 0, 0.0 20,-0.3 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 153.7 20.5 57.0 4.0 2 4 A A + 0 0 61 18,-0.1 20,-1.8 19,-0.1 19,-0.7 -0.261 360.0 176.2 -68.4 148.7 16.7 56.7 3.7 3 5 A N E +A 20 0A 106 17,-0.2 2,-0.3 18,-0.2 17,-0.2 -0.962 39.1 77.8-148.1 125.1 14.4 59.6 3.0 4 6 A G E S-A 19 0A 43 15,-1.4 15,-2.0 -2,-0.3 2,-0.3 -0.975 72.8 -78.4 164.3-158.8 10.7 59.1 2.5 5 7 A T E -A 18 0A 103 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.980 32.7-167.2-141.2 140.7 7.5 58.4 4.6 6 8 A V E -A 17 0A 36 11,-1.6 11,-3.8 -2,-0.3 2,-0.3 -0.996 11.5-143.1-137.2 133.1 6.3 55.1 6.1 7 9 A M E +A 16 0A 40 -2,-0.4 483,-1.0 9,-0.3 2,-0.2 -0.751 37.6 131.6 -95.8 141.1 2.9 54.2 7.6 8 10 A S E -A 15 0A 0 7,-2.3 7,-2.4 -2,-0.3 2,-0.3 -0.821 33.7-132.2-158.7-158.3 2.5 52.0 10.7 9 11 A G E -A 14 0A 0 5,-0.3 5,-0.2 -2,-0.2 2,-0.2 -0.978 13.7-177.5-164.0 175.6 0.7 51.9 14.0 10 12 A S - 0 0 2 3,-1.8 3,-0.3 -2,-0.3 106,-0.1 -0.797 57.0 -65.9-156.5-162.9 0.9 51.3 17.7 11 13 A H S S+ 0 0 1 -2,-0.2 182,-2.1 1,-0.2 3,-0.1 0.601 131.2 50.6 -76.1 -15.4 -1.3 51.2 20.8 12 14 A W S S- 0 0 6 1,-0.3 25,-0.5 180,-0.2 2,-0.3 0.545 121.2 -76.7-100.3 -14.4 -1.9 54.9 20.4 13 15 A G - 0 0 2 -3,-0.3 -3,-1.8 23,-0.1 2,-0.4 -0.910 52.3 -53.4 148.7-176.4 -3.0 54.9 16.8 14 16 A V E +A 9 0A 1 -2,-0.3 16,-2.1 183,-0.3 2,-0.3 -0.799 61.7 165.3 -91.2 136.7 -2.2 54.6 13.1 15 17 A F E -AB 8 29A 0 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.5 -0.955 36.4-119.5-149.4 173.9 0.5 57.2 11.9 16 18 A T E -AB 7 28A 47 12,-3.5 12,-3.0 -2,-0.3 2,-0.3 -0.977 25.3-149.2-120.8 127.3 2.9 58.3 9.3 17 19 A A E -AB 6 27A 0 -11,-3.8 -11,-1.6 -2,-0.5 2,-0.6 -0.659 3.8-146.0 -94.0 150.5 6.6 58.6 9.9 18 20 A T E -AB 5 26A 42 8,-2.1 7,-3.5 -2,-0.3 8,-0.9 -0.967 15.8-161.5-112.4 115.9 9.0 61.0 8.3 19 21 A V E -AB 4 24A 6 -15,-2.0 -15,-1.4 -2,-0.6 2,-0.4 -0.875 10.0-179.0-102.2 132.8 12.5 59.6 7.8 20 22 A E E > S-AB 3 23A 100 3,-2.6 3,-1.1 -2,-0.5 -17,-0.2 -0.973 75.6 -19.9-128.8 112.2 15.4 61.9 7.2 21 23 A N T 3 S- 0 0 105 -19,-0.7 -18,-0.2 -2,-0.4 -19,-0.1 0.816 130.4 -47.6 57.0 39.5 18.8 60.4 6.6 22 24 A G T 3 S+ 0 0 30 -20,-1.8 2,-0.4 1,-0.2 472,-0.4 0.557 117.7 108.1 82.9 10.8 17.7 57.1 8.3 23 25 A R E < S-B 20 0A 136 -3,-1.1 -3,-2.6 -21,-0.3 2,-0.5 -0.978 71.0-124.5-127.2 131.4 16.1 58.7 11.3 24 26 A A E +B 19 0A 5 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.587 33.0 172.1 -71.6 115.5 12.4 59.1 12.1 25 27 A T E + 0 0 61 -7,-3.5 2,-0.3 -2,-0.5 -1,-0.2 0.706 59.3 13.9 -99.3 -23.6 11.9 62.8 12.6 26 28 A A E -B 18 0A 36 -8,-0.9 -8,-2.1 2,-0.0 2,-0.4 -0.995 50.6-153.0-152.2 154.1 8.1 63.0 13.0 27 29 A F E -B 17 0A 20 -2,-0.3 -10,-0.2 -10,-0.2 17,-0.1 -0.990 20.7-169.1-125.4 111.4 5.0 60.8 13.5 28 30 A T E -B 16 0A 76 -12,-3.0 -12,-3.5 -2,-0.4 3,-0.1 -0.914 25.7-112.3-108.0 135.7 1.8 62.3 12.0 29 31 A P E -B 15 0A 48 0, 0.0 -14,-0.3 0, 0.0 -16,-0.0 -0.223 39.7 -90.2 -66.0 153.3 -1.5 60.8 12.9 30 32 A W > - 0 0 30 -16,-2.1 3,-1.0 1,-0.1 -16,-0.1 -0.344 32.4-125.7 -58.6 148.0 -3.6 59.0 10.3 31 33 A E T 3 S+ 0 0 174 1,-0.3 -1,-0.1 -3,-0.1 -16,-0.0 0.807 109.2 50.9 -72.5 -30.3 -6.0 61.3 8.4 32 34 A K T 3 S+ 0 0 108 3,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.391 80.1 114.6 -87.3 3.0 -9.0 59.2 9.2 33 35 A D < - 0 0 13 -3,-1.0 166,-0.1 1,-0.2 165,-0.1 -0.679 54.7-159.0 -77.1 112.3 -8.2 59.1 12.9 34 36 A P S S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 165,-0.1 0.630 81.3 15.6 -67.7 -16.3 -11.1 61.0 14.5 35 37 A H S S- 0 0 66 163,-0.2 167,-0.1 156,-0.0 -3,-0.0 -0.534 76.7-159.8-160.7 79.3 -9.1 61.8 17.7 36 38 A P - 0 0 55 0, 0.0 -23,-0.1 0, 0.0 155,-0.0 -0.257 24.0-114.6 -59.3 155.9 -5.4 61.4 17.7 37 39 A S > - 0 0 7 -25,-0.5 3,-2.1 154,-0.1 -25,-0.1 -0.787 7.2-137.4 -97.1 133.0 -3.5 61.0 21.0 38 40 A P T > S+ 0 0 89 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.691 97.5 75.6 -59.3 -17.0 -1.1 63.7 22.1 39 41 A M T >> + 0 0 3 1,-0.2 4,-1.4 2,-0.1 3,-1.1 0.548 64.4 93.3 -74.9 -9.2 1.2 60.9 23.2 40 42 A L H <> S+ 0 0 11 -3,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.859 80.8 57.6 -51.5 -42.3 2.4 60.0 19.6 41 43 A A H <> S+ 0 0 59 -3,-0.6 4,-1.9 1,-0.2 -1,-0.3 0.861 104.6 52.6 -56.6 -37.8 5.4 62.3 20.0 42 44 A G H <> S+ 0 0 0 -3,-1.1 4,-2.3 -4,-0.2 -1,-0.2 0.849 102.1 58.3 -66.6 -38.4 6.5 60.3 23.0 43 45 A V H < S+ 0 0 1 -4,-1.4 4,-0.4 2,-0.2 -2,-0.2 0.935 108.5 45.8 -57.3 -43.9 6.3 57.0 21.1 44 46 A L H >X S+ 0 0 24 -4,-1.7 3,-1.8 1,-0.2 4,-0.7 0.955 110.1 54.7 -62.9 -48.4 8.8 58.4 18.6 45 47 A D H >X S+ 0 0 42 -4,-1.9 4,-1.9 1,-0.3 3,-1.1 0.866 95.1 67.7 -55.0 -38.3 11.0 59.6 21.4 46 48 A S H 3< S+ 0 0 8 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.647 91.8 62.3 -59.1 -16.9 11.1 56.2 23.0 47 49 A I H <4 S+ 0 0 0 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.869 122.1 18.6 -71.0 -40.5 13.2 54.9 20.0 48 50 A Y H << S+ 0 0 37 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.1 0.434 89.7 126.4-114.1 -6.5 16.0 57.3 20.8 49 51 A S S >< S- 0 0 5 -4,-1.9 3,-1.6 -5,-0.1 597,-0.1 -0.122 73.3-105.5 -57.0 162.7 15.6 58.5 24.4 50 52 A P T 3 S+ 0 0 86 0, 0.0 717,-0.5 0, 0.0 -1,-0.1 0.610 116.5 63.7 -64.7 -17.3 18.6 58.1 26.7 51 53 A T T 3 S+ 0 0 0 594,-0.4 402,-3.1 715,-0.1 2,-0.3 0.247 73.9 124.1 -93.7 14.6 17.0 55.1 28.6 52 54 A R B < -C 452 0B 5 -3,-1.6 2,-0.5 400,-0.2 400,-0.3 -0.559 66.0-122.1 -71.7 131.4 17.1 53.1 25.4 53 55 A I + 0 0 1 398,-1.8 445,-0.1 -2,-0.3 446,-0.1 -0.681 32.5 176.4 -84.1 123.0 19.0 49.8 25.9 54 56 A K + 0 0 25 -2,-0.5 444,-1.7 717,-0.4 -1,-0.2 0.904 54.5 22.5 -90.0 -56.5 22.0 49.3 23.6 55 57 A Y S S- 0 0 38 716,-0.2 2,-0.2 442,-0.1 -1,-0.1 -0.822 84.4 -88.9-118.0 159.9 23.9 46.1 24.5 56 58 A P - 0 0 0 0, 0.0 26,-1.9 0, 0.0 2,-0.4 -0.481 49.9-163.7 -63.9 129.0 23.3 42.8 26.2 57 59 A M E -DE 81 463C 1 406,-3.1 406,-2.8 24,-0.2 2,-0.4 -0.964 13.5-162.9-125.1 141.8 24.1 43.3 29.9 58 60 A V E -DE 80 462C 0 22,-2.5 22,-3.7 -2,-0.4 404,-0.2 -0.985 33.6-107.1-122.8 131.5 24.8 40.8 32.6 59 61 A R E >> -D 79 0C 3 402,-3.9 4,-2.5 -2,-0.4 3,-0.6 -0.374 24.5-136.5 -58.6 123.3 24.6 41.6 36.3 60 62 A R H 3> S+ 0 0 104 18,-2.5 4,-1.8 1,-0.3 5,-0.2 0.907 104.7 53.0 -47.6 -49.0 28.2 41.7 37.6 61 63 A E H 3> S+ 0 0 24 17,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.874 110.9 46.3 -53.0 -45.0 27.2 39.8 40.7 62 64 A F H <> S+ 0 0 10 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.868 106.2 59.3 -74.4 -33.7 25.6 37.0 38.6 63 65 A L H < S+ 0 0 80 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.936 115.3 32.6 -59.5 -50.3 28.5 36.7 36.2 64 66 A E H < S+ 0 0 129 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.824 134.4 20.6 -81.8 -32.7 31.0 35.9 39.0 65 67 A K H >< S- 0 0 129 -4,-1.8 3,-2.6 -5,-0.2 -3,-0.2 0.381 77.0-173.1-118.5 -0.9 28.9 33.9 41.5 66 68 A G G >< S+ 0 0 23 -4,-1.7 3,-2.0 1,-0.3 -1,-0.2 -0.008 76.8 3.3 46.7-122.4 25.8 32.6 39.7 67 69 A V G 3 S+ 0 0 55 1,-0.3 -1,-0.3 -5,-0.0 -5,-0.1 0.687 133.3 59.7 -69.0 -13.8 23.3 31.0 42.0 68 70 A N G < S+ 0 0 137 -3,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 0.137 81.7 121.7 -95.0 13.0 25.6 31.9 45.0 69 71 A A S < S- 0 0 11 -3,-2.0 2,-0.7 375,-0.1 -7,-0.1 -0.372 76.7-100.9 -74.6 156.0 25.4 35.7 44.2 70 72 A D > - 0 0 92 1,-0.2 3,-0.9 -2,-0.1 4,-0.2 -0.656 33.6-165.1 -75.6 116.6 24.1 38.3 46.7 71 73 A R G > S+ 0 0 54 -2,-0.7 3,-0.6 1,-0.2 -1,-0.2 0.544 73.9 77.0 -84.5 -1.7 20.5 38.8 45.5 72 74 A S G 3 S+ 0 0 30 1,-0.2 -1,-0.2 369,-0.1 369,-0.0 0.642 84.8 61.0 -81.0 -17.5 20.0 42.0 47.5 73 75 A T G X S+ 0 0 24 -3,-0.9 3,-2.1 2,-0.1 5,-0.3 0.510 71.0 126.5 -91.0 -0.8 22.0 44.2 45.1 74 76 A R T < S+ 0 0 12 -3,-0.6 385,-0.2 1,-0.3 384,-0.1 -0.228 71.7 31.8 -49.4 134.9 19.8 43.6 42.1 75 77 A G T 3 S+ 0 0 15 383,-1.1 -1,-0.3 385,-0.3 384,-0.2 0.306 86.4 108.5 99.3 -9.7 18.7 47.0 40.8 76 78 A N S < S- 0 0 77 -3,-2.1 -2,-0.1 2,-0.1 383,-0.1 0.494 86.1-116.7 -81.0 -8.7 21.9 48.8 41.8 77 79 A G + 0 0 24 381,-0.5 2,-1.8 1,-0.2 693,-0.4 0.472 64.6 141.1 90.0 1.8 23.2 49.3 38.2 78 80 A D + 0 0 61 -5,-0.3 -18,-2.5 691,-0.1 -17,-0.4 -0.516 30.2 160.1 -82.3 79.9 26.4 47.2 38.4 79 81 A F E -D 59 0C 8 -2,-1.8 2,-0.5 -20,-0.2 -20,-0.2 -0.785 34.4-145.9-107.7 145.2 26.2 45.6 34.9 80 82 A V E -D 58 0C 30 -22,-3.7 -22,-2.5 -2,-0.4 2,-0.2 -0.873 20.5-130.1-107.6 124.9 28.8 44.0 32.7 81 83 A R E +D 57 0C 126 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.486 33.3 179.8 -71.4 136.2 28.5 44.4 28.9 82 84 A V - 0 0 16 -26,-1.9 2,-0.1 -2,-0.2 0, 0.0 -0.926 32.0 -96.6-132.7 162.4 28.8 41.0 27.1 83 85 A S > - 0 0 53 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.404 36.4-114.6 -75.6 161.5 28.7 39.9 23.5 84 86 A W H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.884 116.9 56.5 -58.9 -40.1 25.3 38.6 22.2 85 87 A D H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 108.0 46.8 -61.2 -43.6 26.9 35.1 21.7 86 88 A Q H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.988 113.0 48.7 -61.8 -55.6 27.9 35.0 25.4 87 89 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.863 111.3 48.8 -52.7 -44.8 24.4 36.2 26.6 88 90 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.928 110.4 51.5 -65.6 -41.4 22.5 33.7 24.5 89 91 A D H X S+ 0 0 91 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.880 112.1 47.9 -57.4 -45.2 24.7 30.9 25.7 90 92 A L H X S+ 0 0 47 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.943 110.3 49.4 -62.2 -53.1 24.0 32.0 29.2 91 93 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.911 115.1 43.5 -57.1 -46.3 20.2 32.3 28.9 92 94 A A H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.909 113.6 50.9 -66.0 -44.6 19.8 28.8 27.3 93 95 A A H X S+ 0 0 56 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.960 114.3 45.0 -55.8 -51.2 22.2 27.1 29.7 94 96 A E H X S+ 0 0 26 -4,-2.8 4,-1.9 2,-0.2 5,-0.2 0.911 111.8 51.4 -63.1 -42.5 20.3 28.7 32.6 95 97 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 3,-0.3 0.966 113.8 44.6 -59.0 -49.7 16.9 27.8 31.2 96 98 A K H X S+ 0 0 89 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.847 109.6 56.6 -63.6 -34.3 18.0 24.2 30.7 97 99 A R H X S+ 0 0 66 -4,-2.4 4,-2.0 -5,-0.3 5,-0.3 0.883 109.8 43.9 -62.6 -42.9 19.6 24.0 34.1 98 100 A V H X>S+ 0 0 0 -4,-1.9 4,-2.0 -3,-0.3 5,-1.0 0.792 112.9 52.8 -75.4 -30.9 16.3 25.0 35.9 99 101 A E H X5S+ 0 0 16 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.917 114.0 41.8 -73.5 -39.1 14.3 22.6 33.7 100 102 A E H <5S+ 0 0 134 -4,-2.6 -2,-0.2 2,-0.1 -1,-0.2 0.867 125.0 34.8 -71.2 -41.5 16.5 19.7 34.5 101 103 A T H <5S+ 0 0 86 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.902 135.8 17.2 -79.2 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