==== 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 26-JAN-11 3QIA . 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 . 564 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 54 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 0 2 0 1 2 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 . 3 4 1 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 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 17 A A 0 0 106 0, 0.0 2,-0.3 0, 0.0 325,-0.1 0.000 360.0 360.0 360.0 44.9 15.2 -8.9 18.3 2 18 A D + 0 0 109 323,-0.2 2,-0.1 2,-0.0 323,-0.0 -0.776 360.0 88.0-108.4 151.2 14.7 -12.6 19.2 3 19 A G - 0 0 66 -2,-0.3 3,-0.1 4,-0.1 4,-0.1 -0.308 38.2-158.7 133.2 142.5 17.3 -15.4 19.7 4 20 A M S S+ 0 0 165 1,-0.3 2,-0.4 -2,-0.1 3,-0.1 0.777 73.9 48.0-114.3 -46.1 19.4 -16.8 22.6 5 21 A K S S- 0 0 27 1,-0.2 -1,-0.3 16,-0.0 18,-0.1 -0.858 112.7 -49.9-109.5 139.2 22.4 -18.7 21.1 6 22 A G S S+ 0 0 12 -2,-0.4 281,-0.3 16,-0.2 280,-0.3 0.463 79.5 140.5 -8.1 104.7 24.7 -17.4 18.4 7 23 A A - 0 0 31 13,-0.4 13,-0.2 1,-0.3 15,-0.2 -0.412 47.7 -58.7-133.3-155.9 22.7 -16.1 15.4 8 24 A K - 0 0 80 11,-0.2 -1,-0.3 -2,-0.1 2,-0.1 -0.142 48.7-110.4 -86.7-175.1 22.6 -13.3 12.9 9 25 A M - 0 0 44 -2,-0.0 10,-0.2 8,-0.0 2,-0.2 -0.321 12.0-129.4-108.5-168.4 22.4 -9.5 13.3 10 26 A Y - 0 0 81 1,-0.5 7,-0.2 8,-0.2 6,-0.0 -0.644 50.4 -74.2-153.9 83.7 19.9 -6.7 12.7 11 27 A E - 0 0 114 5,-0.5 -1,-0.5 -2,-0.2 6,-0.1 0.163 33.2-166.9 58.7-176.2 20.9 -3.6 10.7 12 28 A V S S- 0 0 40 4,-0.1 3,-0.1 -3,-0.1 -1,-0.1 0.006 71.2 -35.2-167.7 -58.4 23.1 -0.7 11.9 13 29 A V S S+ 0 0 67 1,-0.3 2,-0.3 26,-0.0 22,-0.0 0.382 119.0 11.2-142.0 -59.7 22.9 2.3 9.5 14 30 A R S S- 0 0 199 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 -0.975 120.9 -13.9-134.4 147.2 22.5 1.2 5.9 15 31 A V S S+ 0 0 115 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.748 79.8 163.7 30.7 52.0 21.7 -2.1 4.1 16 32 A G + 0 0 6 1,-0.1 -5,-0.5 -3,-0.0 -1,-0.2 -0.861 20.6 129.1-104.1 119.2 22.4 -4.2 7.2 17 33 A E + 0 0 143 -2,-0.6 2,-0.4 -7,-0.2 -1,-0.1 -0.032 52.2 97.1-150.2 30.7 21.2 -7.8 7.3 18 34 A L + 0 0 43 -10,-0.1 -8,-0.2 15,-0.1 2,-0.2 -0.983 35.4 136.1-145.2 124.2 24.4 -9.6 8.4 19 35 A G - 0 0 13 -2,-0.4 2,-0.3 -10,-0.2 -11,-0.2 -0.577 34.0-107.2-143.9-156.1 25.9 -10.9 11.6 20 36 A L - 0 0 27 -13,-0.2 2,-1.4 -2,-0.2 -13,-0.4 -0.999 23.2-112.7-155.1 144.4 27.8 -13.7 13.3 21 37 A I + 0 0 23 -2,-0.3 2,-0.5 -15,-0.3 -13,-0.1 -0.642 51.3 177.1 -73.1 91.4 27.5 -16.6 15.8 22 38 A G > + 0 0 9 -2,-1.4 4,-0.5 -15,-0.2 6,-0.3 -0.909 7.4 172.9-112.4 124.9 29.9 -15.1 18.4 23 39 A E T 4 + 0 0 88 -2,-0.5 -18,-0.0 4,-0.3 0, 0.0 -0.330 48.0 78.3-114.0-164.1 30.6 -16.8 21.8 24 40 A I T 4 S- 0 0 146 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.970 134.0 -38.7 55.3 58.7 33.0 -16.2 24.8 25 41 A I T 4 S- 0 0 134 -3,-0.1 -2,-0.2 2,-0.0 -1,-0.1 0.989 127.2 -27.7 49.9 74.9 30.6 -13.4 25.9 26 42 A R < + 0 0 67 -4,-0.5 -3,-0.2 1,-0.1 -5,-0.1 0.929 62.6 161.6 64.0 106.7 29.6 -11.9 22.5 27 43 A L + 0 0 87 -5,-0.2 2,-2.2 -7,-0.2 -4,-0.3 -0.309 12.0 159.8-143.6 53.9 32.0 -12.0 19.5 28 44 A E + 0 0 25 -6,-0.3 -8,-0.1 1,-0.2 23,-0.1 -0.389 23.6 133.1 -84.5 64.3 29.6 -11.3 16.6 29 45 A G + 0 0 5 -2,-2.2 -1,-0.2 21,-0.1 22,-0.1 0.938 23.4 95.7 -76.6 -94.7 32.2 -10.1 14.0 30 46 A D - 0 0 27 -3,-0.2 2,-0.5 25,-0.1 25,-0.2 0.458 53.4-171.1 -9.4 103.7 32.0 -11.6 10.5 31 47 A K - 0 0 50 23,-0.5 3,-0.1 21,-0.3 -1,-0.1 -0.934 25.8-156.1-110.5 131.7 30.1 -9.0 8.5 32 48 A A S S+ 0 0 61 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.703 95.6 36.8 -76.0 -20.4 28.9 -9.8 4.9 33 49 A V S S- 0 0 67 -15,-0.1 -1,-0.2 -3,-0.1 -15,-0.1 -0.996 97.2-120.7-129.7 128.7 28.9 -6.0 4.5 34 50 A I + 0 0 142 -2,-0.4 2,-0.3 -3,-0.1 -2,-0.0 -0.276 33.5 173.6 -73.5 151.2 31.6 -3.8 6.2 35 51 A Q - 0 0 45 -22,-0.0 2,-2.3 -4,-0.0 3,-0.1 -0.971 46.6 -92.2-151.9 158.5 31.0 -1.0 8.7 36 52 A V S S- 0 0 112 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.404 71.9-102.6 -74.8 63.6 32.8 1.4 11.1 37 53 A Y S S+ 0 0 168 -2,-2.3 -1,-0.1 2,-0.0 13,-0.1 -0.053 83.2 16.7 56.0-147.4 32.5 -1.0 14.1 38 54 A E S S+ 0 0 73 11,-0.4 -26,-0.0 1,-0.1 -2,-0.0 -0.330 70.0 121.5 -64.5 130.9 30.0 -0.6 17.0 39 55 A E S S+ 0 0 91 -2,-0.1 2,-0.5 9,-0.0 3,-0.2 0.163 74.4 4.0-144.3 -81.6 27.0 1.6 16.5 40 56 A T S S+ 0 0 94 1,-0.1 -30,-0.1 -29,-0.1 -2,-0.0 -0.864 86.4 99.2-126.0 96.1 23.4 0.3 16.9 41 57 A A + 0 0 12 -2,-0.5 2,-0.5 6,-0.2 -1,-0.1 0.258 46.3 118.5-155.5 5.8 23.2 -3.4 18.0 42 58 A G + 0 0 50 -3,-0.2 5,-0.1 1,-0.2 4,-0.1 -0.727 14.8 135.3 -89.2 124.9 22.5 -3.3 21.7 43 59 A V + 0 0 90 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.576 63.4 36.8-127.6 -45.7 19.2 -4.8 23.0 44 60 A R S S- 0 0 155 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 -0.538 109.4 -28.0-111.1 173.4 20.0 -6.9 26.1 45 61 A P S S- 0 0 99 0, 0.0 2,-1.5 0, 0.0 -1,-0.2 0.202 117.9 -33.3 -25.3 117.5 22.4 -6.6 29.1 46 62 A G S S- 0 0 77 1,-0.2 -4,-0.0 -3,-0.1 0, 0.0 -0.498 76.6-177.5 68.3 -88.8 25.5 -4.7 28.1 47 63 A E + 0 0 23 -2,-1.5 -6,-0.2 -5,-0.1 -1,-0.2 0.981 5.6 172.5 57.0 73.6 25.8 -5.7 24.5 48 64 A P - 0 0 72 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.491 30.4-119.1 -90.6 174.6 28.9 -4.2 22.9 49 65 A V + 0 0 38 -2,-0.2 2,-0.6 -22,-0.1 -11,-0.4 -0.970 25.1 179.7-120.1 116.9 30.2 -5.1 19.4 50 66 A V - 0 0 75 -2,-0.5 2,-0.2 -13,-0.1 -21,-0.1 -0.858 20.7-167.0-112.1 91.7 33.7 -6.5 18.9 51 67 A G - 0 0 21 -2,-0.6 2,-0.2 -22,-0.1 -22,-0.1 -0.515 6.7-149.4 -83.8 146.4 34.0 -7.0 15.2 52 68 A T - 0 0 66 2,-0.2 -21,-0.3 -2,-0.2 -1,-0.0 -0.648 20.5-124.6-107.1 167.5 36.6 -9.1 13.4 53 69 A G S S+ 0 0 79 -2,-0.2 -22,-0.1 -23,-0.1 -1,-0.1 0.761 83.4 89.5 -81.0 -27.9 38.2 -8.6 9.9 54 70 A A - 0 0 54 1,-0.1 -23,-0.5 -24,-0.1 -2,-0.2 -0.198 69.4-133.8 -69.7 160.4 37.4 -12.1 8.7 55 71 A S - 0 0 44 -25,-0.2 2,-1.2 -26,-0.1 -25,-0.1 -0.578 42.6 -69.9-108.2 172.9 34.1 -13.1 6.9 56 72 A L S S+ 0 0 24 -2,-0.2 123,-1.3 -27,-0.1 124,-0.5 -0.513 82.1 156.7 -65.3 96.5 31.7 -16.0 7.4 57 73 A S E -A 178 0A 27 -2,-1.2 2,-0.3 121,-0.3 16,-0.3 -0.465 39.3-133.1-125.8-174.6 34.0 -18.6 6.1 58 74 A V E -A 177 0A 0 119,-1.0 119,-1.2 -2,-0.1 2,-0.5 -0.995 22.8-118.1-147.1 141.3 35.0 -22.3 5.9 59 75 A E E -A 176 0A 27 -2,-0.3 2,-0.6 117,-0.2 117,-0.2 -0.733 28.0-165.9 -83.1 127.5 38.3 -24.3 6.3 60 76 A L E +A 175 0A 0 115,-3.1 115,-1.1 -2,-0.5 36,-0.0 -0.879 40.1 79.3-122.5 100.0 39.1 -26.2 3.1 61 77 A G S > S- 0 0 0 -2,-0.6 3,-1.0 113,-0.2 2,-0.4 -0.968 83.7 -27.5-174.7-175.8 41.8 -28.9 3.4 62 78 A P T 3 S+ 0 0 2 0, 0.0 92,-0.1 0, 0.0 40,-0.1 -0.379 114.2 54.3 -57.1 108.3 42.7 -32.4 4.4 63 79 A G T 3 S+ 0 0 4 -2,-0.4 4,-0.1 33,-0.1 -3,-0.0 0.270 73.5 98.7 144.8 -1.6 40.3 -33.3 7.2 64 80 A L X + 0 0 0 -3,-1.0 3,-1.4 2,-0.1 235,-0.0 0.884 62.7 86.9 -76.6 -42.8 36.9 -32.7 5.6 65 81 A L T 3 S+ 0 0 8 1,-0.2 211,-0.2 211,-0.1 208,-0.1 -0.292 97.1 15.4 -63.2 142.8 36.2 -36.3 4.7 66 82 A T T 3 S+ 0 0 71 209,-2.3 -1,-0.2 206,-1.0 210,-0.1 0.205 100.3 122.2 79.5 -12.9 34.5 -38.5 7.4 67 83 A S < - 0 0 28 -3,-1.4 210,-1.9 208,-0.3 -1,-0.3 -0.454 47.1-162.9 -87.7 156.4 33.6 -35.3 9.4 68 84 A I + 0 0 28 208,-0.2 211,-0.8 -2,-0.1 -1,-0.1 0.802 26.4 156.1-111.3 -41.0 30.0 -34.3 10.3 69 85 A Y - 0 0 5 209,-0.2 210,-0.9 4,-0.1 2,-0.2 0.143 33.8-116.3 51.1-162.2 30.0 -30.6 11.3 70 86 A D B -b 279 0B 1 2,-0.4 210,-0.1 208,-0.2 219,-0.1 -0.859 55.0 -45.2-156.2-171.7 26.9 -28.4 11.1 71 87 A G S S+ 0 0 0 217,-1.2 2,-0.4 208,-0.5 224,-0.3 0.676 136.0 32.4 -39.2 -31.2 25.6 -25.3 9.3 72 88 A I S S- 0 0 30 216,-0.2 2,-1.2 2,-0.1 -2,-0.4 -0.993 114.9 -89.7-128.4 138.2 28.9 -23.7 10.0 73 89 A Q S S+ 0 0 10 -2,-0.4 20,-0.1 -16,-0.3 -14,-0.1 -0.212 75.7 129.7 -58.0 84.8 32.0 -26.0 10.0 74 90 A R - 0 0 20 -2,-1.2 -2,-0.1 -4,-0.1 18,-0.1 -0.985 56.2-101.3-139.3 133.1 32.3 -27.1 13.7 75 91 A P - 0 0 34 0, 0.0 16,-1.1 0, 0.0 20,-0.1 0.321 33.5 -94.6 -56.5 175.2 32.6 -30.8 14.8 76 92 A L - 0 0 90 14,-0.1 13,-0.2 12,-0.0 15,-0.1 0.949 30.7-171.3 -56.4 -84.2 30.1 -33.3 16.3 77 93 A E - 0 0 75 11,-0.1 2,-0.5 13,-0.1 12,-0.4 0.891 20.1-141.3 72.6 96.6 29.9 -33.6 20.1 78 94 A V - 0 0 64 10,-0.1 2,-0.4 8,-0.1 10,-0.2 -0.756 18.9-170.1 -92.1 127.0 27.7 -36.7 21.0 79 95 A I B -K 87 0C 79 8,-1.5 8,-2.4 -2,-0.5 6,-0.1 -0.923 13.0-128.5-121.9 145.1 25.4 -36.3 24.0 80 96 A R + 0 0 204 -2,-0.4 6,-0.1 6,-0.2 5,-0.1 -0.223 66.3 45.4 -86.7 171.1 23.3 -38.9 25.9 81 97 A E S S+ 0 0 177 4,-0.2 2,-0.1 1,-0.1 -1,-0.1 0.988 78.4 86.8 62.2 79.4 19.6 -39.3 26.9 82 98 A K S S- 0 0 137 1,-0.1 -1,-0.1 -3,-0.0 5,-0.1 -0.488 85.5 -22.2-156.2-124.7 17.1 -38.3 24.2 83 99 A T S S- 0 0 73 166,-0.2 167,-0.1 3,-0.2 4,-0.1 0.990 131.9 -7.0 -68.2 -84.7 15.3 -39.9 21.2 84 100 A G S S- 0 0 45 2,-0.3 3,-0.1 165,-0.3 166,-0.1 0.954 118.0 -80.3 -75.0 -58.3 17.2 -43.0 20.0 85 101 A D S S+ 0 0 85 1,-0.3 2,-0.4 -6,-0.1 -4,-0.2 0.065 106.1 77.5-171.2 -37.0 20.1 -42.3 22.4 86 102 A F + 0 0 67 -6,-0.1 2,-0.4 -5,-0.1 -2,-0.3 -0.754 44.1 172.8-100.5 132.5 22.3 -39.6 20.7 87 103 A I B +K 79 0C 41 -8,-2.4 -8,-1.5 -2,-0.4 2,-0.4 -0.998 14.4 178.2-134.3 133.1 21.5 -35.8 20.6 88 104 A A + 0 0 4 -2,-0.4 2,-0.3 -10,-0.2 196,-0.2 -0.995 14.9 173.8-144.7 139.5 24.1 -33.4 19.2 89 105 A R - 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