==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JAN-11 3QJY . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR P.RAGUNATHAN,M.S.S.MANIMEKALAI,J.JEYAKANTHAN,G.GRUBER . 556 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 49 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 3 1 0 2 0 1 2 0 0 1 1 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 2 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 PARALLEL BRIDGES PER LADDER . 6 4 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 1 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 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 26 A Y 0 0 147 0, 0.0 10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.9 -8.7 -16.4 46.5 2 27 A E + 0 0 110 1,-0.1 2,-1.0 2,-0.1 0, 0.0 -0.108 360.0 3.4 62.1-155.5 -12.0 -14.5 45.7 3 28 A V S S+ 0 0 87 1,-0.2 5,-0.3 2,-0.1 6,-0.2 -0.505 86.4 140.7 -64.5 100.0 -15.4 -16.1 46.0 4 29 A V > + 0 0 72 -2,-1.0 3,-1.1 3,-0.1 -1,-0.2 0.832 39.9 70.3-115.8 -49.2 -14.3 -19.4 47.4 5 30 A R T 3 S+ 0 0 231 1,-0.3 2,-0.3 17,-0.1 17,-0.1 0.847 120.7 15.1 -53.6 -48.3 -16.4 -21.0 50.2 6 31 A V T 3 S+ 0 0 84 15,-0.0 -1,-0.3 16,-0.0 2,-0.1 -0.655 109.8 95.6-124.5 74.9 -19.3 -21.9 48.0 7 32 A G < - 0 0 11 -3,-1.1 -3,-0.1 -2,-0.3 15,-0.1 -0.114 61.5-140.9-126.0-136.9 -17.9 -21.5 44.5 8 33 A E + 0 0 15 -5,-0.3 12,-2.7 -2,-0.1 -4,-0.1 0.215 54.2 122.7-169.1 -26.7 -16.3 -23.9 41.9 9 34 A L B -A 19 0A 76 -6,-0.2 10,-0.2 10,-0.2 14,-0.1 -0.136 35.4-172.3 -52.8 141.9 -13.4 -22.0 40.3 10 35 A G + 0 0 24 8,-2.4 2,-0.5 16,-0.0 3,-0.2 -0.256 41.2 113.7-140.5 50.5 -10.0 -23.7 40.6 11 36 A L + 0 0 81 1,-0.1 6,-0.1 6,-0.1 5,-0.1 -0.817 40.6 102.1-120.1 89.2 -7.2 -21.4 39.4 12 37 A I S S+ 0 0 69 -2,-0.5 -1,-0.1 4,-0.1 4,-0.1 0.477 70.5 59.4-136.1 -23.7 -5.0 -20.6 42.4 13 38 A G S S- 0 0 43 -3,-0.2 -2,-0.1 3,-0.1 3,-0.1 0.955 110.0 -70.9 -76.4 -92.7 -2.0 -22.9 42.0 14 39 A E S S+ 0 0 129 2,-0.1 23,-0.1 1,-0.1 -3,-0.0 0.540 100.6 70.5-141.1 -48.7 0.2 -22.6 38.9 15 40 A I S S- 0 0 43 1,-0.1 -2,-0.1 14,-0.1 3,-0.1 -0.245 82.8 -95.8 -79.2 170.6 -1.5 -23.9 35.7 16 41 A I S S- 0 0 74 1,-0.2 13,-0.2 14,-0.1 -4,-0.1 0.424 74.1 -4.8 -76.8-150.2 -4.5 -22.2 34.0 17 42 A R + 0 0 138 11,-0.1 12,-0.6 -6,-0.1 11,-0.3 -0.082 67.9 150.4 -55.0 124.3 -8.3 -22.6 34.2 18 43 A L - 0 0 20 10,-0.2 -8,-2.4 -3,-0.1 2,-0.3 -0.914 24.6-152.8-144.2 170.7 -9.7 -25.5 36.3 19 44 A E E +AB 9 26A 12 7,-1.2 7,-3.8 -2,-0.3 2,-0.3 -0.987 22.9 133.6-148.1 151.6 -12.9 -26.3 38.3 20 45 A G E - B 0 25A 8 -12,-2.7 2,-0.4 -2,-0.3 5,-0.2 -0.981 44.3 -91.7-175.2-173.8 -13.9 -28.5 41.3 21 46 A D E > S- B 0 24A 65 3,-1.6 3,-1.9 -2,-0.3 -13,-0.1 -0.988 100.3 -5.3-125.5 130.3 -15.7 -29.0 44.6 22 47 A K T 3 S- 0 0 200 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.876 130.1 -59.1 54.1 41.0 -14.1 -28.5 48.1 23 48 A A T 3 S+ 0 0 60 1,-0.2 2,-0.9 -3,-0.1 18,-0.6 0.491 104.0 136.5 63.9 5.9 -10.8 -27.9 46.2 24 49 A V E < -B 21 0A 46 -3,-1.9 -3,-1.6 16,-0.2 2,-0.3 -0.761 52.2-140.1 -80.3 106.3 -11.1 -31.4 44.7 25 50 A I E -B 20 0A 14 -2,-0.9 18,-1.5 -5,-0.2 19,-0.5 -0.522 20.7-164.4 -88.9 130.9 -10.1 -30.4 41.1 26 51 A Q E -B 19 0A 41 -7,-3.8 -7,-1.2 -2,-0.3 2,-0.3 -0.693 31.8 -95.8-101.3 164.6 -11.5 -31.6 37.8 27 52 A V B +c 46 0B 20 18,-2.3 20,-1.5 -2,-0.2 3,-0.1 -0.598 62.1 126.5 -95.1 135.0 -9.8 -31.1 34.4 28 53 A Y S S+ 0 0 122 1,-0.7 2,-0.3 -2,-0.3 -1,-0.2 0.228 89.0 37.9-133.6 -38.2 -10.0 -28.6 31.6 29 54 A E S S- 0 0 52 -12,-0.6 -1,-0.7 -3,-0.2 -14,-0.1 -0.846 110.1 -82.3-107.1 152.2 -6.3 -27.8 31.6 30 55 A E - 0 0 155 -2,-0.3 2,-0.2 -3,-0.1 -14,-0.1 -0.274 45.3-146.1 -63.4 130.0 -3.7 -30.5 32.1 31 56 A T - 0 0 34 13,-0.1 2,-0.1 -2,-0.1 3,-0.1 -0.552 9.2-155.2 -93.7 156.9 -2.9 -31.4 35.7 32 57 A A - 0 0 63 1,-0.3 2,-0.1 -2,-0.2 -2,-0.0 -0.543 51.3 -85.5-132.6 68.5 0.4 -32.5 37.2 33 58 A G S S+ 0 0 55 -2,-0.1 2,-0.9 2,-0.1 -1,-0.3 -0.400 102.3 5.2 72.4-143.9 -0.3 -34.6 40.3 34 59 A V S S- 0 0 111 -2,-0.1 7,-0.1 -3,-0.1 8,-0.1 -0.687 90.9-127.2 -76.5 106.0 -0.9 -32.9 43.6 35 60 A R - 0 0 50 -2,-0.9 2,-0.5 1,-0.1 5,-0.2 -0.307 17.7-108.2 -64.5 127.6 -0.8 -29.2 42.6 36 61 A P S S+ 0 0 83 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.441 91.2 67.1 -48.5 106.0 1.6 -26.9 44.4 37 62 A G S S- 0 0 49 -2,-0.5 -3,-0.0 1,-0.3 -24,-0.0 -0.646 92.9 -32.2 179.3-115.8 -0.9 -24.8 46.4 38 63 A E S S- 0 0 79 -2,-0.2 2,-1.4 1,-0.1 -1,-0.3 -0.153 97.2 -35.2-112.3-158.8 -3.3 -25.6 49.2 39 64 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.615 84.9 145.7 -64.9 96.3 -5.2 -28.7 50.3 40 65 A V + 0 0 28 -2,-1.4 -16,-0.2 -5,-0.2 -17,-0.1 -0.997 24.0 174.4-140.1 130.9 -5.9 -29.9 46.7 41 66 A V - 0 0 92 -18,-0.6 -17,-0.1 -2,-0.3 -1,-0.1 0.887 25.2-142.3-106.3 -56.0 -6.1 -33.5 45.5 42 67 A G - 0 0 31 -19,-0.2 -16,-0.2 -8,-0.1 -18,-0.0 0.170 13.5-150.8 96.4 145.0 -7.2 -34.0 41.9 43 68 A T - 0 0 67 -18,-1.5 -17,-0.1 2,-0.2 3,-0.1 0.561 24.0-137.4-121.0 -20.8 -9.4 -36.6 40.1 44 69 A G S S+ 0 0 63 -19,-0.5 -18,-0.1 1,-0.3 2,-0.1 0.044 70.3 115.4 78.3 -27.6 -8.0 -36.8 36.5 45 70 A A - 0 0 58 -20,-0.1 -18,-2.3 1,-0.1 -1,-0.3 -0.375 64.7-118.7 -74.0 153.2 -11.6 -36.8 35.4 46 71 A S B -c 27 0B 51 -20,-0.2 2,-1.4 -3,-0.1 -18,-0.2 -0.308 33.4 -83.9 -92.0 170.8 -13.0 -33.9 33.3 47 72 A L S S+ 0 0 13 -20,-1.5 123,-3.4 -2,-0.1 124,-0.5 -0.618 78.8 158.5 -70.9 92.5 -15.8 -31.3 33.8 48 73 A S E -D 169 0C 38 -2,-1.4 2,-0.3 121,-0.3 238,-0.1 -0.627 40.7-137.1-126.6 173.9 -18.4 -33.8 32.5 49 74 A V E -D 168 0C 1 119,-2.4 119,-2.0 -2,-0.2 2,-0.5 -0.926 22.9-120.5-129.8 152.2 -22.1 -34.7 32.4 50 75 A E E -D 167 0C 29 -2,-0.3 2,-0.6 117,-0.2 117,-0.2 -0.835 26.3-162.2 -96.1 132.1 -23.9 -38.0 32.7 51 76 A L E +D 166 0C 0 115,-3.3 115,-1.9 -2,-0.5 36,-0.0 -0.886 39.4 76.8-123.7 102.9 -26.1 -39.0 29.7 52 77 A G S > S- 0 0 0 -2,-0.6 3,-1.2 113,-0.2 113,-0.2 -0.974 83.2 -24.0-175.7-173.7 -28.8 -41.7 29.9 53 78 A P T 3 S+ 0 0 0 0, 0.0 92,-0.1 0, 0.0 111,-0.1 -0.321 114.9 54.3 -52.4 120.5 -32.3 -42.6 31.1 54 79 A G T 3 S+ 0 0 3 33,-0.1 4,-0.1 -2,-0.1 -3,-0.0 0.202 76.1 96.5 133.0 -11.0 -33.1 -40.1 33.9 55 80 A L X + 0 0 0 -3,-1.2 3,-1.2 2,-0.1 235,-0.0 0.916 65.6 82.7 -72.2 -46.7 -32.5 -36.8 32.1 56 81 A L T 3 S+ 0 0 6 1,-0.2 211,-0.2 211,-0.1 208,-0.2 -0.202 99.0 15.7 -60.6 149.6 -36.1 -36.1 31.1 57 82 A T T 3 S+ 0 0 74 209,-2.1 -1,-0.2 206,-1.2 210,-0.1 0.203 102.1 124.8 73.7 -16.2 -38.4 -34.5 33.7 58 83 A S < - 0 0 28 -3,-1.2 210,-2.2 208,-0.3 2,-0.5 -0.425 51.8-150.1 -83.3 147.9 -35.3 -33.6 35.8 59 84 A I E +e 268 0D 37 208,-0.2 8,-1.1 -2,-0.1 2,-0.3 -0.976 25.8 170.3-112.8 125.4 -34.3 -30.2 37.0 60 85 A Y E -eF 269 66D 2 208,-3.0 210,-3.5 -2,-0.5 2,-0.1 -0.778 28.6-124.1-122.9 170.3 -30.5 -29.6 37.4 61 86 A D > - 0 0 2 4,-1.2 3,-1.9 -2,-0.3 210,-0.1 -0.350 58.3 -68.1 -95.3-169.3 -28.2 -26.7 38.1 62 87 A G T 3 S+ 0 0 0 217,-0.8 224,-0.4 208,-0.4 223,-0.1 0.521 135.0 38.9 -62.8 -10.6 -25.2 -25.7 35.8 63 88 A I T 3 S- 0 0 32 2,-0.1 -1,-0.3 216,-0.1 -15,-0.1 -0.022 122.2 -96.3-129.1 26.7 -23.2 -28.9 36.5 64 89 A Q S < S+ 0 0 10 -3,-1.9 -2,-0.1 1,-0.2 -14,-0.1 0.895 70.9 146.6 60.7 47.9 -26.1 -31.4 36.5 65 90 A R - 0 0 33 18,-0.1 -4,-1.2 21,-0.0 -1,-0.2 -0.957 52.8-114.4-103.9 133.4 -26.8 -31.7 40.3 66 91 A P B -F 60 0D 37 0, 0.0 16,-2.2 0, 0.0 -6,-0.2 -0.410 38.4-104.2 -66.2 143.2 -30.5 -32.2 41.1 67 92 A L B -O 81 0E 32 -8,-1.1 14,-0.2 14,-0.2 -8,-0.1 -0.464 39.9-172.7 -79.8 139.6 -32.1 -29.3 43.0 68 93 A E + 0 0 84 12,-2.6 -1,-0.1 -2,-0.2 13,-0.1 0.593 43.4 56.3 -98.5-119.0 -32.8 -29.5 46.8 69 94 A V - 0 0 35 1,-0.1 9,-0.2 8,-0.1 3,-0.1 0.253 45.1-160.3 -36.8 122.5 -34.5 -27.4 49.4 70 95 A I S S- 0 0 108 1,-0.3 7,-1.2 7,-0.1 8,-0.5 0.919 75.0 -37.5 -65.1 -48.3 -38.2 -26.6 48.7 71 96 A R B -P 76 0F 125 6,-0.2 -1,-0.3 5,-0.2 5,-0.1 -0.905 48.5-179.5-172.8 154.1 -37.9 -23.7 51.2 72 97 A E S S+ 0 0 164 3,-0.6 2,-0.1 -2,-0.3 4,-0.1 0.590 74.9 14.0-127.9 -38.0 -36.3 -22.9 54.6 73 98 A K S S- 0 0 181 2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.179 111.8 -55.6-117.2-150.8 -37.3 -19.3 55.5 74 99 A T S S+ 0 0 144 -2,-0.1 2,-0.8 -3,-0.1 0, 0.0 0.731 109.4 96.5 -66.6 -24.0 -40.0 -16.9 54.2 75 100 A G S S- 0 0 35 3,-0.0 -3,-0.6 1,-0.0 -2,-0.5 -0.606 71.4-150.3 -70.3 107.0 -38.5 -17.3 50.8 76 101 A D B S+P 71 0F 86 -2,-0.8 -5,-0.2 1,-0.2 168,-0.2 -0.693 70.7 5.9 -86.2 132.5 -40.7 -19.9 49.1 77 102 A F S S+ 0 0 20 -7,-1.2 2,-0.5 -2,-0.4 -1,-0.2 0.988 76.8 156.7 56.1 68.1 -39.0 -22.2 46.5 78 103 A I + 0 0 85 -8,-0.5 2,-0.3 -3,-0.4 -1,-0.2 -0.981 20.6 173.2-118.8 114.0 -35.4 -21.1 46.8 79 104 A A + 0 0 5 -2,-0.5 2,-0.3 -8,-0.0 195,-0.2 -0.881 22.6 176.8-132.4 152.5 -33.1 -23.9 45.5 80 105 A R - 0 0 97 -2,-0.3 -12,-2.6 194,-0.1 2,-0.4 -0.898 45.5 -74.9-140.1 172.7 -29.6 -24.9 44.7 81 106 A G B -O 67 0E 7 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.571 39.0-154.1 -75.9 125.7 -27.8 -28.1 43.5 82 107 A V - 0 0 56 -16,-2.2 2,-0.9 -2,-0.4 -1,-0.0 -0.828 31.4-104.4 -96.7 137.8 -27.2 -30.8 46.1 83 108 A T S S+ 0 0 121 -2,-0.4 -18,-0.1 -18,-0.1 -1,-0.0 -0.481 74.0 121.4 -65.9 100.3 -24.3 -33.2 45.5 84 109 A A S S- 0 0 47 -2,-0.9 2,-0.1 -18,-0.0 -2,-0.0 -0.958 70.9 -64.4-154.5 161.3 -26.1 -36.4 44.3 85 110 A P - 0 0 73 0, 0.0 4,-0.1 0, 0.0 -21,-0.0 -0.337 37.7-141.9 -53.9 127.7 -26.2 -38.7 41.3 86 111 A A S S+ 0 0 8 1,-0.1 -22,-0.0 -21,-0.1 -21,-0.0 0.836 92.0 42.5 -61.1 -36.3 -27.4 -36.9 38.2 87 112 A L S S- 0 0 0 -21,-0.0 -1,-0.1 -36,-0.0 -33,-0.1 -0.966 103.5-103.0-115.0 129.1 -29.3 -40.0 37.1 88 113 A P - 0 0 45 0, 0.0 57,-0.5 0, 0.0 -2,-0.1 -0.272 26.4-167.6 -50.5 116.2 -31.3 -42.0 39.7 89 114 A R S S+ 0 0 56 1,-0.2 57,-0.2 55,-0.1 -3,-0.0 0.586 83.3 63.5 -78.4 -10.7 -29.3 -45.2 40.6 90 115 A D S S+ 0 0 149 54,-0.1 -1,-0.2 55,-0.1 2,-0.1 0.883 82.6 85.4 -81.0 -43.7 -32.5 -46.5 42.2 91 116 A K - 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