==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-97 1AQT . COMPND 2 MOLECULE: ATP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR U.UHLIN,J.M.GUSS . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 80.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 34.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 . 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 . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 2 1 2 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 . 0 0 0 0 0 0 0 0 1 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 S 0 0 139 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.8 20.9 24.1 22.8 2 3 A T - 0 0 46 32,-0.1 2,-0.3 52,-0.0 18,-0.2 -0.981 360.0-169.7-159.2 155.1 19.7 25.4 26.2 3 4 A Y E -A 19 0A 12 16,-1.7 16,-2.1 -2,-0.3 2,-0.4 -0.960 33.8 -94.0-144.7 162.4 20.1 28.5 28.5 4 5 A H E -Ab 18 74A 49 69,-2.5 71,-3.4 -2,-0.3 2,-0.4 -0.663 35.7-166.6 -85.7 134.8 19.1 29.4 32.1 5 6 A L E -Ab 17 75A 0 12,-2.5 12,-1.9 -2,-0.4 2,-0.5 -0.965 8.8-172.5-125.4 132.4 15.8 31.1 32.9 6 7 A D E -Ab 16 76A 34 69,-2.3 71,-2.6 -2,-0.4 2,-0.7 -0.982 0.6-174.7-122.5 113.3 14.7 32.8 36.1 7 8 A V E +Ab 15 77A 0 8,-2.4 8,-1.9 -2,-0.5 7,-0.7 -0.957 24.2 158.6-110.7 112.1 11.1 33.9 36.4 8 9 A V E -Ab 13 78A 37 69,-2.0 71,-3.0 -2,-0.7 2,-0.2 -0.940 24.8-169.5-134.3 155.5 10.7 35.8 39.7 9 10 A S E - b 0 79A 12 3,-2.9 71,-0.1 -2,-0.3 72,-0.1 -0.722 52.9 -81.9-127.5-178.1 8.5 38.3 41.3 10 11 A A S S+ 0 0 89 69,-0.5 70,-0.1 70,-0.4 71,-0.1 0.829 128.4 19.6 -60.0 -26.3 8.8 40.2 44.6 11 12 A E S S+ 0 0 155 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.707 120.7 43.4-116.4 -27.7 7.6 37.2 46.5 12 13 A Q - 0 0 99 70,-0.0 -3,-2.9 3,-0.0 2,-0.7 -0.842 57.5-138.1-125.8 163.5 7.9 34.0 44.4 13 14 A Q E -A 8 0A 117 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.875 24.6-178.1-118.1 86.7 10.3 32.2 42.1 14 15 A M E + 0 0 9 -7,-0.7 2,-0.3 -2,-0.7 -6,-0.2 0.794 66.4 0.6 -55.7 -37.8 7.9 31.0 39.5 15 16 A F E +A 7 0A 23 -8,-1.9 -8,-2.4 -3,-0.1 2,-0.2 -0.992 54.7 171.8-155.1 152.3 10.6 29.2 37.5 16 17 A S E +A 6 0A 57 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.627 44.9 63.8-166.0 102.4 14.3 28.5 37.6 17 18 A G E S-A 5 0A 19 -12,-1.9 -12,-2.5 -2,-0.2 2,-0.3 -0.985 79.7 -36.3 169.7-170.2 16.0 26.1 35.3 18 19 A L E +A 4 0A 89 -2,-0.3 36,-1.1 -14,-0.2 2,-0.3 -0.602 50.6 173.3 -84.3 133.3 17.0 25.2 31.7 19 20 A V E -AC 3 53A 0 -16,-2.1 -16,-1.7 -2,-0.3 34,-0.2 -0.887 34.2-141.5-132.2 162.3 14.7 25.9 28.8 20 21 A E E S- 0 0 71 32,-2.5 2,-0.3 1,-0.4 33,-0.1 0.781 80.8 -24.0 -92.4 -31.7 15.1 25.7 25.0 21 22 A K E - C 0 52A 30 31,-1.2 31,-2.4 13,-0.1 -1,-0.4 -0.982 53.0-155.0-169.9 167.0 13.1 28.9 24.3 22 23 A I E -DC 33 51A 0 11,-1.3 11,-2.7 -2,-0.3 2,-0.4 -0.984 8.8-147.7-149.8 156.1 10.6 31.4 25.5 23 24 A Q E +DC 32 50A 37 27,-1.5 27,-2.2 -2,-0.3 2,-0.2 -0.995 22.6 177.4-129.0 121.3 8.1 34.0 24.1 24 25 A V E -D 31 0A 0 7,-1.6 7,-2.5 -2,-0.4 2,-0.9 -0.703 38.7-113.5-116.7 171.2 7.4 37.1 26.0 25 26 A T E -D 30 0A 43 23,-0.3 20,-2.8 -2,-0.2 5,-0.2 -0.752 49.1-169.3-105.0 77.3 5.2 40.1 25.2 26 27 A G B -E 44 0A 2 3,-1.0 18,-0.2 -2,-0.9 19,-0.1 0.122 37.0-100.0 -60.7 178.2 8.0 42.6 25.0 27 28 A S S S+ 0 0 61 16,-0.6 3,-0.1 1,-0.2 17,-0.1 0.889 124.3 41.6 -67.8 -38.3 7.8 46.4 24.8 28 29 A E S S- 0 0 141 1,-0.3 2,-0.3 15,-0.1 -1,-0.2 0.522 128.9 -76.1 -87.0 -11.9 8.3 46.3 21.0 29 30 A G S S- 0 0 35 -3,-0.1 -3,-1.0 2,-0.0 -1,-0.3 -0.855 82.6 -12.7 141.4-173.9 6.1 43.3 20.3 30 31 A E E -D 25 0A 135 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.389 66.2-155.7 -61.4 126.8 6.1 39.6 20.7 31 32 A L E -D 24 0A 31 -7,-2.5 -7,-1.6 -2,-0.2 2,-0.5 -0.820 14.8-161.1-112.9 140.1 9.6 38.3 21.4 32 33 A G E -D 23 0A 30 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.966 12.2-164.3-115.7 118.4 11.2 34.9 20.8 33 34 A I E +D 22 0A 0 -11,-2.7 -11,-1.3 -2,-0.5 3,-0.1 -0.924 11.8 176.1-110.7 120.5 14.3 34.2 22.9 34 35 A Y > - 0 0 130 -2,-0.6 3,-1.7 -13,-0.2 -13,-0.1 -0.615 43.0 -73.9-114.0 169.4 16.6 31.4 21.9 35 36 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 -0.374 121.3 22.7 -60.2 137.9 20.0 30.1 23.1 36 37 A G T 3 S+ 0 0 87 1,-0.2 -33,-0.0 -34,-0.1 -3,-0.0 0.596 86.2 158.2 79.9 9.3 22.8 32.5 22.0 37 38 A H < - 0 0 69 -3,-1.7 -1,-0.2 34,-0.1 36,-0.2 -0.321 48.1 -99.8 -64.8 149.2 20.4 35.4 21.6 38 39 A A - 0 0 64 1,-0.1 -1,-0.1 34,-0.1 32,-0.1 -0.458 50.6 -81.6 -71.6 144.9 22.1 38.9 21.8 39 40 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 32,-0.2 -0.018 58.4 171.7 -46.6 142.6 22.0 40.9 25.1 40 41 A L E - F 0 70A 40 30,-1.9 30,-2.1 -3,-0.1 2,-0.3 -0.984 26.8-163.7-154.2 154.6 18.7 42.8 25.7 41 42 A L E + F 0 69A 132 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.875 31.4 156.2-142.8 103.0 17.0 44.8 28.4 42 43 A T E - F 0 68A 15 26,-2.4 26,-3.8 -2,-0.3 2,-0.3 -0.918 40.5-116.7-136.3 162.1 13.2 45.4 27.8 43 44 A A E - F 0 67A 43 -2,-0.3 -16,-0.6 24,-0.2 2,-0.4 -0.717 31.2-131.4 -91.2 144.4 9.9 46.1 29.6 44 45 A I E -EF 26 66A 8 22,-3.2 22,-1.1 -2,-0.3 -18,-0.2 -0.807 12.2-143.1-101.2 133.9 7.2 43.6 29.4 45 46 A K - 0 0 102 -20,-2.8 -20,-0.2 -2,-0.4 20,-0.2 -0.670 45.3 -77.1 -89.8 150.0 3.7 44.6 28.4 46 47 A P S S+ 0 0 39 0, 0.0 18,-0.2 0, 0.0 2,-0.2 -0.252 98.0 83.1 -48.1 120.5 0.7 42.9 30.2 47 48 A G E S- G 0 63A 7 16,-3.0 16,-1.4 -3,-0.1 2,-0.3 -0.578 75.1 -69.1-177.4-111.4 0.5 39.5 28.5 48 49 A M E - G 0 62A 22 14,-0.3 2,-0.4 -3,-0.2 -23,-0.3 -0.992 17.8-130.1-166.9 166.5 2.3 36.2 29.0 49 50 A I E - G 0 61A 0 12,-2.2 12,-1.8 -2,-0.3 2,-0.6 -0.998 18.0-151.0-129.0 126.1 5.5 34.2 28.7 50 51 A R E -CG 23 60A 69 -27,-2.2 -27,-1.5 -2,-0.4 2,-0.6 -0.908 13.4-156.9 -97.0 123.2 5.5 30.8 27.1 51 52 A I E -CG 22 59A 0 8,-2.5 8,-1.1 -2,-0.6 2,-1.0 -0.922 7.6-163.6-105.7 116.8 8.2 28.6 28.6 52 53 A V E -CG 21 58A 12 -31,-2.4 -32,-2.5 -2,-0.6 -31,-1.2 -0.874 18.7-160.7-100.7 94.0 9.4 25.8 26.4 53 54 A K E >> -CG 19 57A 72 4,-2.7 4,-1.5 -2,-1.0 3,-0.9 -0.328 39.4 -68.1 -67.5 160.7 11.1 23.6 29.1 54 55 A Q T 34 S+ 0 0 100 -36,-1.1 3,-0.3 1,-0.2 -1,-0.2 -0.100 124.0 38.1 -50.0 148.8 13.7 21.0 27.8 55 56 A H T 34 S- 0 0 140 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.587 129.7 -79.0 80.8 12.0 12.1 18.1 25.9 56 57 A G T <4 S+ 0 0 46 -3,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.924 84.4 148.6 62.9 48.7 9.7 20.5 24.2 57 58 A H E < -G 53 0A 110 -4,-1.5 -4,-2.7 -3,-0.3 -1,-0.2 -0.952 34.4-139.2-114.8 135.4 7.1 20.9 27.1 58 59 A E E +G 52 0A 96 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.556 20.0 179.3-101.0 156.1 5.2 24.0 27.7 59 60 A E E -G 51 0A 33 -8,-1.1 -8,-2.5 -2,-0.2 2,-0.5 -0.965 17.6-147.8-147.3 131.4 4.1 26.1 30.7 60 61 A F E -G 50 0A 14 -2,-0.3 25,-3.3 -10,-0.2 2,-0.4 -0.929 14.8-179.8-112.2 130.4 2.1 29.3 30.6 61 62 A I E -GH 49 84A 0 -12,-1.8 -12,-2.2 -2,-0.5 2,-0.4 -0.990 22.0-135.2-129.0 130.3 2.4 32.2 33.0 62 63 A Y E -GH 48 83A 7 21,-2.9 21,-1.7 -2,-0.4 2,-0.5 -0.690 18.9-163.0 -82.5 134.9 0.4 35.5 32.9 63 64 A L E -GH 47 82A 0 -16,-1.4 -16,-3.0 -2,-0.4 19,-0.2 -0.981 19.2-165.2-121.7 123.6 2.4 38.7 33.4 64 65 A S S S- 0 0 20 17,-2.3 2,-0.3 -2,-0.5 -1,-0.1 0.697 75.8 -61.0 -74.8 -18.9 0.8 41.9 34.3 65 66 A G S S+ 0 0 4 16,-0.5 15,-2.4 -20,-0.2 -1,-0.4 -0.909 71.2 142.6 158.0 179.4 4.1 43.5 33.3 66 67 A G E -FI 44 79A 8 -22,-1.1 -22,-3.2 13,-0.3 2,-0.4 -0.990 45.7 -59.0 155.4-160.8 7.7 43.4 34.3 67 68 A I E -FI 43 78A 85 11,-2.6 11,-2.3 -2,-0.3 2,-0.5 -0.965 30.1-151.7-127.6 137.4 11.3 43.5 33.0 68 69 A L E -FI 42 77A 0 -26,-3.8 -26,-2.4 -2,-0.4 2,-0.5 -0.939 11.9-173.9-109.2 127.6 13.1 41.2 30.6 69 70 A E E -FI 41 76A 81 7,-3.1 7,-2.5 -2,-0.5 2,-0.5 -0.915 3.1-173.3-125.9 104.5 16.9 40.7 30.9 70 71 A V E +FI 40 75A 3 -30,-2.1 -30,-1.9 -2,-0.5 5,-0.2 -0.859 19.1 158.5 -98.1 125.2 18.7 38.7 28.3 71 72 A Q E > - I 0 74A 81 3,-1.7 3,-0.5 -2,-0.5 2,-0.1 -0.901 53.8 -61.5-137.0 165.2 22.4 38.2 29.2 72 73 A P T 3 S- 0 0 106 0, 0.0 2,-0.2 0, 0.0 -34,-0.1 -0.314 118.2 -17.6 -56.9 118.1 25.0 35.6 28.1 73 74 A G T 3 S+ 0 0 55 -36,-0.2 -69,-2.5 -2,-0.1 2,-0.4 0.153 127.1 81.7 72.9 -19.8 23.8 32.2 29.2 74 75 A N E < -bI 4 71A 67 -3,-0.5 -3,-1.7 -71,-0.2 2,-0.4 -0.962 52.6-174.2-126.8 132.0 21.3 33.7 31.6 75 76 A V E -bI 5 70A 3 -71,-3.4 -69,-2.3 -2,-0.4 2,-0.4 -0.976 7.2-175.1-123.9 132.2 17.8 35.1 31.1 76 77 A T E -bI 6 69A 32 -7,-2.5 -7,-3.1 -2,-0.4 2,-0.5 -0.985 11.5-169.9-130.5 135.6 15.8 36.8 33.8 77 78 A V E -bI 7 68A 0 -71,-2.6 -69,-2.0 -2,-0.4 2,-0.7 -0.983 9.6-160.4-125.6 112.0 12.2 38.1 33.8 78 79 A L E -bI 8 67A 82 -11,-2.3 -11,-2.6 -2,-0.5 2,-0.3 -0.878 18.0-155.2 -93.5 114.6 11.2 40.1 36.9 79 80 A A E -bI 9 66A 4 -71,-3.0 -69,-0.5 -2,-0.7 -13,-0.3 -0.693 23.5-156.0 -99.2 144.9 7.5 40.2 37.0 80 81 A D S S- 0 0 112 -15,-2.4 2,-0.4 1,-0.4 -70,-0.4 0.982 93.6 -1.4 -71.1 -68.6 5.1 42.7 38.7 81 82 A T S S- 0 0 75 -16,-0.4 -17,-2.3 -72,-0.1 -16,-0.5 -0.989 76.8-177.4-124.6 131.6 2.3 40.2 39.1 82 83 A A E +H 63 0A 8 -2,-0.4 2,-0.4 -3,-0.2 -19,-0.2 -1.000 4.1 176.8-133.0 132.4 2.8 36.7 37.8 83 84 A I E -H 62 0A 56 -21,-1.7 -21,-2.9 -2,-0.4 5,-0.1 -0.997 31.6-117.5-139.3 128.6 0.2 33.9 37.9 84 85 A R E >> -H 61 0A 69 -2,-0.4 3,-1.8 -23,-0.2 4,-0.5 -0.319 27.4-119.0 -62.2 142.5 0.5 30.4 36.5 85 86 A G G >4 S+ 0 0 4 -25,-3.3 3,-1.2 1,-0.3 -24,-0.1 0.867 113.4 57.4 -53.3 -39.8 -1.9 29.6 33.7 86 87 A Q G 34 S+ 0 0 119 -26,-0.3 -1,-0.3 1,-0.2 -25,-0.1 0.665 105.6 53.6 -67.8 -12.8 -3.4 26.7 35.8 87 88 A D G <4 S+ 0 0 108 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.489 81.2 105.9 -99.5 -7.8 -4.3 29.2 38.5 88 89 A L << - 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