==== 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 24-JAN-11 3QG1 . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR P.RAGUNATHAN,M.S.S.MANIMEKALAI,A.KUMAR,J.JEYAKANTHAN,G.GRUBE . 561 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 8.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 52 9.3 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 . 134 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 5 1 0 1 0 1 1 0 2 0 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 1 3 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 . 1 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 18 A D 0 0 154 0, 0.0 2,-0.6 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 -27.3 11.8 22.8 54.2 2 19 A G + 0 0 28 10,-0.1 3,-0.1 1,-0.1 10,-0.0 -0.831 360.0 165.4 -94.3 116.4 9.6 20.5 52.0 3 20 A M > - 0 0 104 -2,-0.6 5,-0.6 1,-0.3 4,-0.3 0.190 38.1 -12.3-106.1-140.5 5.9 21.0 52.7 4 21 A K T 5S+ 0 0 165 3,-0.1 42,-0.5 2,-0.1 -1,-0.3 -0.148 76.0 97.9 -68.5 158.6 2.6 20.0 51.0 5 22 A G T 5S- 0 0 23 40,-0.2 4,-0.3 -3,-0.1 -1,-0.1 0.540 115.3 -59.9 128.7 41.1 2.2 18.7 47.4 6 23 A A T 5S- 0 0 71 1,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.833 104.8 -56.8 55.2 39.5 1.9 15.0 47.9 7 24 A K T 5S- 0 0 158 -4,-0.3 -3,-0.1 1,-0.1 -1,-0.1 0.991 84.1 -81.8 51.8 84.0 5.4 15.2 49.5 8 25 A M < - 0 0 64 -5,-0.6 -2,-0.1 1,-0.2 -1,-0.1 0.351 37.7-138.9 -12.4 112.9 7.5 16.8 46.7 9 26 A Y S S+ 0 0 113 -4,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.421 77.3 35.6 -68.5 1.3 8.5 14.0 44.3 10 27 A E S S- 0 0 63 1,-0.1 2,-0.2 313,-0.1 7,-0.1 -0.548 100.9 -42.2-136.6-161.7 12.1 15.3 43.9 11 28 A V - 0 0 43 -2,-0.2 2,-0.2 5,-0.1 -1,-0.1 -0.478 39.4-176.7 -76.1 140.1 15.1 17.1 45.5 12 29 A V + 0 0 52 -2,-0.2 -10,-0.1 2,-0.1 -1,-0.0 -0.638 52.3 87.7-140.1 79.4 14.5 20.0 47.9 13 30 A R S S- 0 0 187 -2,-0.2 -1,-0.0 -12,-0.1 -2,-0.0 0.514 117.9 -33.4-134.5 -50.6 17.8 21.6 49.1 14 31 A V S S+ 0 0 49 2,-0.1 -2,-0.1 17,-0.0 -3,-0.0 0.068 106.5 121.4-160.1 17.2 18.9 24.2 46.6 15 32 A G - 0 0 14 1,-0.1 2,-0.2 16,-0.1 -5,-0.0 0.020 40.3-160.2 -81.3-174.6 17.5 22.5 43.5 16 33 A E + 0 0 13 1,-0.1 -5,-0.1 12,-0.0 270,-0.1 -0.576 46.1 102.9-145.1-155.8 15.0 23.4 40.8 17 34 A L - 0 0 29 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.998 50.2-179.0 62.7 71.5 12.7 22.1 38.0 18 35 A G - 0 0 23 2,-0.0 2,-0.2 -8,-0.0 -1,-0.2 -0.854 17.2-169.8-108.2 139.0 9.3 22.3 39.7 19 36 A L + 0 0 86 -2,-0.4 2,-0.3 2,-0.0 8,-0.1 -0.549 24.8 144.8-132.4 67.1 6.0 21.3 38.2 20 37 A I + 0 0 71 -2,-0.2 2,-0.4 22,-0.1 25,-0.0 -0.731 37.3 59.4-100.3 153.4 2.9 22.3 40.1 21 38 A G S S- 0 0 36 -2,-0.3 21,-0.1 1,-0.1 -2,-0.0 -0.996 80.7 -77.8 139.3-139.0 -0.4 23.3 38.5 22 39 A E S S+ 0 0 130 -2,-0.4 -1,-0.1 0, 0.0 20,-0.1 0.640 93.8 29.9-131.6 -65.3 -3.0 21.8 36.2 23 40 A I S S- 0 0 134 1,-0.1 2,-0.2 0, 0.0 -2,-0.0 0.870 121.3 -34.0 -77.6-106.9 -2.5 21.5 32.4 24 41 A I S S+ 0 0 128 13,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.525 72.2 168.8-120.7 61.2 1.1 21.2 30.9 25 42 A R - 0 0 74 -2,-0.2 13,-0.0 1,-0.1 12,-0.0 -0.657 13.7-167.2 -77.5 122.2 3.1 23.3 33.4 26 43 A L - 0 0 48 -2,-0.5 -1,-0.1 1,-0.2 2,-0.1 0.731 25.6 -64.0 -81.8-116.3 6.8 22.7 32.8 27 44 A E + 0 0 53 -8,-0.1 9,-0.3 -10,-0.1 -1,-0.2 -0.275 56.7 113.5-127.0-163.4 9.7 23.7 35.1 28 45 A G + 0 0 7 1,-0.2 8,-0.2 -2,-0.1 2,-0.2 0.794 20.6 147.7 92.5 108.1 11.7 26.5 36.7 29 46 A D - 0 0 45 1,-0.1 5,-0.2 6,-0.1 -1,-0.2 -0.657 24.0-164.9-169.3 111.3 12.1 27.5 40.4 30 47 A K S S- 0 0 88 3,-1.6 4,-0.1 -2,-0.2 -1,-0.1 0.990 83.3 -39.9 -60.1 -72.5 15.1 29.0 42.1 31 48 A A S S- 0 0 59 2,-0.3 3,-0.1 -19,-0.0 -16,-0.1 0.587 123.7 -34.3-120.8 -52.1 14.2 28.4 45.8 32 49 A V S S+ 0 0 82 1,-0.1 17,-0.5 16,-0.0 2,-0.4 0.205 124.7 81.7-147.2 0.3 10.5 29.1 45.8 33 50 A I B +a 49 0A 49 15,-0.1 -3,-1.6 17,-0.1 -2,-0.3 -0.962 48.0 107.6-125.3 122.4 10.4 31.9 43.2 34 51 A Q - 0 0 37 15,-0.7 2,-0.6 -2,-0.4 18,-0.1 -0.560 38.4-152.0 171.5 129.6 10.5 31.7 39.4 35 52 A V + 0 0 11 18,-1.1 -6,-0.1 16,-0.9 -7,-0.1 -0.937 39.0 135.6-110.1 114.1 8.1 32.3 36.4 36 53 A Y S S+ 0 0 58 -2,-0.6 -1,-0.1 -9,-0.3 -8,-0.1 0.511 75.0 44.2-127.0 -20.8 8.8 30.2 33.3 37 54 A E S S- 0 0 57 -9,-0.2 -13,-0.1 -10,-0.1 -9,-0.0 -0.282 120.9 -86.8-125.1 47.4 5.3 29.0 32.3 38 55 A E - 0 0 150 14,-0.1 14,-0.0 -13,-0.0 -3,-0.0 0.953 50.5-151.1 47.3 85.8 3.2 32.2 32.7 39 56 A T + 0 0 48 2,-0.1 4,-0.1 3,-0.0 -4,-0.0 0.933 53.4 117.9 -51.2 -93.2 2.2 32.0 36.4 40 57 A A S S+ 0 0 108 1,-0.2 -1,-0.0 2,-0.1 3,-0.0 0.714 91.9 20.7 14.4 77.3 -1.1 33.7 37.2 41 58 A G S S+ 0 0 48 -20,-0.0 -1,-0.2 3,-0.0 -2,-0.1 0.614 93.1 98.9 121.5 21.4 -3.0 30.6 38.6 42 59 A V + 0 0 18 1,-0.1 -22,-0.1 6,-0.1 -2,-0.1 -0.477 36.8 121.6-131.3 63.7 -0.4 28.0 39.6 43 60 A R + 0 0 153 -4,-0.1 5,-0.3 2,-0.1 -1,-0.1 0.488 29.7 137.9-105.9 -7.1 -0.1 28.4 43.4 44 61 A P + 0 0 64 0, 0.0 2,-0.3 0, 0.0 -24,-0.1 -0.036 58.2 28.3 -38.4 140.0 -1.0 24.8 44.6 45 62 A G S S- 0 0 39 -25,-0.0 -40,-0.2 2,-0.0 3,-0.1 -0.834 117.0 -13.5 104.0-145.1 1.3 23.5 47.3 46 63 A E S S- 0 0 97 -42,-0.5 -43,-0.0 -2,-0.3 0, 0.0 -0.782 105.4 -53.3 -98.0 142.6 3.0 25.8 49.9 47 64 A P - 0 0 99 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.321 60.6-166.2 -18.7 103.3 3.2 29.6 49.3 48 65 A V - 0 0 45 -5,-0.3 2,-0.2 -3,-0.1 -15,-0.1 -0.901 4.0-170.9-104.8 108.3 4.7 30.0 45.8 49 66 A V B -a 33 0A 73 -2,-0.7 -15,-0.7 -17,-0.5 2,-0.3 -0.605 6.0-169.6 -88.2 157.8 5.9 33.5 45.0 50 67 A G - 0 0 39 -17,-0.2 2,-0.3 -2,-0.2 -17,-0.1 -0.777 19.0-154.2-160.6 109.7 7.0 34.4 41.4 51 68 A T - 0 0 95 -2,-0.3 -16,-0.9 1,-0.1 2,-0.4 -0.680 35.9-117.6 -79.4 135.4 8.7 37.4 39.7 52 69 A G S S+ 0 0 77 -2,-0.3 2,-0.2 -18,-0.1 -1,-0.1 0.230 80.8 105.0 -66.2 14.6 7.7 37.6 36.1 53 70 A A - 0 0 54 -2,-0.4 -18,-1.1 1,-0.1 2,-0.1 -0.593 61.1-136.5 -91.1 156.5 11.3 37.1 34.8 54 71 A S - 0 0 51 -2,-0.2 2,-1.8 -20,-0.1 -18,-0.1 -0.414 47.5 -61.1-101.1-179.5 12.6 33.8 33.2 55 72 A L S S+ 0 0 22 123,-0.2 123,-2.2 -2,-0.1 -1,-0.1 -0.459 74.6 172.0 -62.9 85.0 15.8 31.8 33.6 56 73 A S - 0 0 49 -2,-1.8 119,-0.1 121,-0.3 -3,-0.0 -0.065 29.3-156.2 -86.5-170.0 18.1 34.7 32.4 57 74 A V - 0 0 7 117,-0.1 118,-0.1 119,-0.1 -1,-0.1 0.567 25.9-127.7-138.2 -38.4 21.9 34.9 32.5 58 75 A E - 0 0 17 116,-0.2 2,-0.5 118,-0.1 117,-0.3 0.743 22.4-150.4 77.5 112.3 23.2 38.5 32.5 59 76 A L B +B 174 0B 0 115,-2.4 115,-0.6 36,-0.0 -1,-0.1 -0.923 42.7 82.8-128.2 108.3 25.7 39.2 29.7 60 77 A G S > S- 0 0 0 -2,-0.5 3,-0.7 113,-0.2 113,-0.2 -0.921 74.7 -13.1-172.7-165.9 28.5 41.8 30.0 61 78 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 92,-0.1 -0.130 115.3 37.1 -53.0 146.2 32.0 42.5 31.3 62 79 A R T 3 S+ 0 0 62 33,-0.1 63,-0.0 -3,-0.0 -3,-0.0 0.602 77.5 112.2 74.9 18.0 33.6 40.0 33.8 63 80 A L S < S+ 0 0 0 -3,-0.7 3,-0.5 32,-0.1 2,-0.0 0.817 70.3 71.6 -73.6 -36.9 32.0 37.0 32.0 64 81 A L S S+ 0 0 0 1,-0.2 211,-0.2 211,-0.1 208,-0.2 -0.303 97.4 26.1 -72.0 163.1 35.6 36.2 31.2 65 82 A T S S+ 0 0 58 206,-1.6 2,-0.4 209,-1.4 -1,-0.2 0.876 101.4 124.6 45.9 44.6 38.0 34.9 33.9 66 83 A S E -c 275 0C 2 208,-0.7 210,-2.3 -3,-0.5 2,-0.5 -0.997 51.6-156.0-138.9 133.8 34.9 33.6 35.7 67 84 A I E +c 276 0C 27 -2,-0.4 2,-0.3 208,-0.2 210,-0.2 -0.932 25.4 176.3-105.8 128.9 33.9 30.3 37.1 68 85 A Y E -c 277 0C 5 208,-2.2 210,-3.5 -2,-0.5 2,-0.1 -0.769 28.5-117.8-122.2 168.3 30.1 29.8 37.5 69 86 A D > - 0 0 5 -2,-0.3 3,-1.9 208,-0.2 4,-0.1 -0.359 57.7 -75.2 -88.4-174.8 27.7 27.0 38.5 70 87 A G T 3 S+ 0 0 0 217,-0.3 224,-0.4 208,-0.3 223,-0.1 0.548 135.0 35.1 -64.2 -10.0 25.1 25.7 36.0 71 88 A I T 3 S- 0 0 37 223,-0.1 -1,-0.3 222,-0.1 217,-0.1 0.121 124.1 -94.0-127.8 19.4 22.9 28.8 36.4 72 89 A Q S < S+ 0 0 10 -3,-1.9 -2,-0.1 2,-0.1 -4,-0.1 0.928 71.2 131.3 67.9 100.9 25.7 31.4 36.8 73 90 A R - 0 0 19 1,-0.2 2,-0.3 -4,-0.1 18,-0.1 0.147 49.9 -26.2-140.3 -97.5 26.7 32.3 40.4 74 91 A P - 0 0 24 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 -0.788 33.9-120.9-130.2 171.6 30.1 32.6 41.9 75 92 A L - 0 0 101 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.1 -0.905 54.5-163.3 -96.7 95.4 33.8 31.6 42.1 76 93 A E - 0 0 34 -2,-0.8 -3,-0.0 1,-0.1 -8,-0.0 -0.648 27.4-149.5 -96.9 139.2 33.5 30.3 45.6 77 94 A V + 0 0 127 -2,-0.3 -1,-0.1 1,-0.0 9,-0.1 0.965 43.5 149.2 -66.1 -56.3 36.2 29.6 48.2 78 95 A I - 0 0 34 7,-0.1 2,-0.2 2,-0.0 9,-0.1 0.030 35.5-131.0 52.8-160.1 34.5 26.7 50.1 79 96 A R - 0 0 165 7,-0.2 7,-1.9 5,-0.1 2,-0.3 -0.607 21.3 -87.0-155.2-147.5 36.4 23.8 51.7 80 97 A E - 0 0 71 5,-0.2 5,-0.1 -2,-0.2 4,-0.0 -0.995 4.9-152.4-145.3 148.4 36.3 20.0 51.9 81 98 A K S S- 0 0 210 -2,-0.3 -1,-0.1 3,-0.2 4,-0.1 0.939 92.6 -37.2 -77.0 -57.1 34.5 17.3 53.9 82 99 A T S S+ 0 0 130 2,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.458 131.6 53.9-139.0 -32.1 37.3 14.6 53.5 83 100 A G S S- 0 0 48 1,-0.2 2,-0.2 165,-0.0 3,-0.1 0.536 96.9 -69.3 -79.5-133.5 38.5 15.1 49.9 84 101 A D S S- 0 0 54 1,-0.2 -3,-0.2 -5,-0.1 -1,-0.2 -0.579 78.8 -29.0-119.4-175.8 39.8 18.4 48.3 85 102 A F - 0 0 84 -2,-0.2 2,-0.2 -5,-0.1 -1,-0.2 -0.007 66.5-178.8 -43.1 125.1 38.2 21.7 47.3 86 103 A I - 0 0 56 -7,-1.9 2,-0.4 -9,-0.1 -7,-0.2 -0.756 19.4-128.8-126.1 167.7 34.6 21.3 46.3 87 104 A A + 0 0 7 -2,-0.2 195,-0.3 1,-0.1 193,-0.1 -0.978 26.9 162.4-129.2 136.5 31.8 23.6 45.0 88 105 A R - 0 0 115 -2,-0.4 -1,-0.1 195,-0.1 192,-0.0 0.757 51.9-101.6-116.5 -47.5 28.2 24.1 46.3 89 106 A G - 0 0 15 194,-0.1 2,-0.5 -20,-0.1 -14,-0.0 0.419 24.3-145.5 116.7 109.7 26.9 27.4 44.9 90 107 A V - 0 0 73 -16,-0.0 2,-1.8 1,-0.0 -14,-0.0 -0.880 21.6-124.2-105.0 127.4 26.5 30.8 46.6 91 108 A T + 0 0 96 -2,-0.5 -18,-0.1 -18,-0.1 -2,-0.0 -0.523 62.6 132.4 -69.9 86.1 23.6 33.2 45.7 92 109 A A - 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