==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-08 3EIU . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR S.M.S.MANIMEKALAI,A.KUMAR,A.M.BALAKRISHNA,G.GRUBER . 844 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 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 . 75 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 0 4 0 2 0 3 2 1 0 0 2 0 0 0 0 2 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 2 3 0 3 1 1 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 . 8 4 0 8 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 . 4 0 2 0 2 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 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 12 A A 0 0 102 0, 0.0 3,-0.1 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 141.1 -35.7 -11.5 53.4 2 13 A G + 0 0 15 1,-0.4 44,-0.1 44,-0.2 775,-0.1 -0.489 360.0 86.7 126.3 -64.3 -34.0 -12.0 50.0 3 14 A P - 0 0 25 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.084 59.9-142.4 -62.2 176.5 -30.3 -13.0 50.7 4 15 A L - 0 0 14 773,-0.5 2,-0.4 40,-0.2 40,-0.2 -0.995 10.4-166.4-143.7 143.8 -28.8 -16.4 51.4 5 16 A I E -A 43 0A 12 38,-2.0 38,-1.9 -2,-0.3 2,-0.6 -0.998 19.5-136.1-132.1 134.4 -26.1 -17.9 53.6 6 17 A F E -A 42 0A 0 -2,-0.4 47,-2.6 36,-0.2 2,-0.3 -0.764 28.2-172.3 -94.6 120.4 -24.6 -21.3 53.2 7 18 A V E -AB 41 52A 12 34,-3.3 34,-2.2 -2,-0.6 45,-0.3 -0.852 27.5-102.7-120.8 149.1 -24.2 -23.2 56.5 8 19 A E E -A 40 0A 68 43,-2.8 2,-1.1 -2,-0.3 43,-0.4 -0.433 35.9-121.1 -66.7 134.8 -22.6 -26.5 57.7 9 20 A K + 0 0 67 30,-2.6 -1,-0.1 1,-0.2 31,-0.1 -0.685 48.9 151.9 -83.6 97.2 -25.1 -29.3 58.3 10 21 A T S S+ 0 0 95 -2,-1.1 -1,-0.2 1,-0.3 39,-0.1 0.780 70.2 17.8 -90.5 -35.5 -24.5 -30.3 62.0 11 22 A E S S- 0 0 95 -3,-0.2 -1,-0.3 37,-0.2 2,-0.2 -0.973 90.6 -93.8-138.2 148.5 -28.1 -31.6 62.6 12 23 A P - 0 0 113 0, 0.0 2,-0.3 0, 0.0 24,-0.0 -0.479 50.6-169.4 -62.5 128.2 -31.0 -32.7 60.4 13 24 A V - 0 0 35 -2,-0.2 23,-0.0 1,-0.1 -4,-0.0 -0.866 12.7-142.7-125.7 156.1 -33.3 -29.7 59.8 14 25 A G - 0 0 41 -2,-0.3 2,-0.3 1,-0.1 3,-0.2 0.224 38.1 -68.0 -93.0-147.6 -36.8 -29.1 58.4 15 26 A Y S S+ 0 0 139 1,-0.2 19,-0.1 17,-0.0 -1,-0.1 -0.868 105.5 6.4-113.2 149.4 -38.3 -26.3 56.3 16 27 A N S S+ 0 0 112 17,-1.0 2,-0.4 -2,-0.3 -1,-0.2 0.939 91.7 159.9 44.9 64.2 -39.0 -22.7 57.3 17 28 A E - 0 0 63 -3,-0.2 16,-1.1 16,-0.1 2,-0.3 -0.956 44.7-120.3-130.0 131.0 -37.2 -23.2 60.6 18 29 A I E +C 32 0A 120 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.510 48.6 149.6 -73.1 129.2 -35.7 -20.7 63.1 19 30 A V E -C 31 0A 10 12,-1.5 12,-1.2 -2,-0.3 2,-0.3 -0.954 37.0-116.1-157.4 164.0 -32.0 -21.4 63.7 20 31 A N E -C 30 0A 46 -2,-0.3 30,-3.1 10,-0.1 2,-0.4 -0.862 16.8-158.2-118.4 150.6 -28.6 -19.7 64.6 21 32 A I E -Cd 29 50A 3 8,-0.7 2,-1.0 -2,-0.3 8,-0.9 -0.988 15.0-143.8-132.5 129.3 -25.3 -19.2 62.7 22 33 A K E - d 0 51A 107 28,-2.0 30,-0.7 -2,-0.4 5,-0.1 -0.780 36.7-146.8 -90.3 97.6 -21.7 -18.5 63.9 23 34 A M - 0 0 30 -2,-1.0 5,-0.1 3,-0.8 -1,-0.0 0.184 24.9 -94.8 -64.8 174.9 -20.4 -16.2 61.2 24 35 A G S S+ 0 0 48 3,-0.1 60,-0.1 1,-0.1 -1,-0.1 0.894 124.0 10.4 -56.3 -46.9 -16.9 -15.8 59.7 25 36 A D S S- 0 0 136 2,-0.1 -1,-0.1 0, 0.0 66,-0.0 0.851 120.5 -89.5 -95.1 -56.7 -16.1 -12.9 62.1 26 37 A G S S+ 0 0 34 1,-0.1 -3,-0.8 0, 0.0 3,-0.1 0.075 70.3 138.1 178.9 -55.6 -19.0 -13.1 64.5 27 38 A T - 0 0 81 -5,-0.1 -1,-0.1 1,-0.1 -3,-0.1 0.192 52.8-136.7 -28.6 94.4 -22.1 -11.0 63.7 28 39 A V - 0 0 96 -6,-0.1 2,-0.4 -5,-0.1 -6,-0.1 -0.331 20.5-144.3 -67.9 137.1 -24.7 -13.6 64.7 29 40 A R E -C 21 0A 101 -8,-0.9 2,-0.7 -3,-0.1 -8,-0.7 -0.849 12.9-141.1-119.5 140.9 -27.6 -13.9 62.3 30 41 A R E +C 20 0A 100 -2,-0.4 16,-2.4 -10,-0.1 2,-0.3 -0.848 45.5 146.8 -95.9 111.4 -31.4 -14.6 62.5 31 42 A G E -CE 19 45A 7 -12,-1.2 -12,-1.5 -2,-0.7 2,-0.4 -0.885 40.1-134.5-144.5 170.8 -32.4 -16.9 59.6 32 43 A Q E -CE 18 44A 68 12,-1.6 12,-2.8 -2,-0.3 -14,-0.2 -0.992 31.4-109.7-132.4 138.1 -34.7 -19.6 58.3 33 44 A V E + E 0 43A 5 -16,-1.1 -17,-1.0 -2,-0.4 10,-0.3 -0.208 28.7 175.9 -63.0 152.1 -33.8 -22.7 56.2 34 45 A L E - 0 0 27 8,-2.5 2,-0.3 1,-0.5 9,-0.1 0.643 65.1 -10.3-121.2 -51.1 -34.8 -23.0 52.5 35 46 A D E - E 0 42A 28 7,-0.7 7,-2.3 -20,-0.1 -1,-0.5 -0.969 60.0-153.0-151.1 160.7 -33.3 -26.3 51.3 36 47 A S E + E 0 41A 40 -2,-0.3 5,-0.2 5,-0.2 159,-0.1 -0.902 10.7 178.4-136.0 160.5 -30.9 -28.9 52.4 37 48 A S - 0 0 31 3,-1.9 -1,-0.0 -2,-0.3 4,-0.0 -0.198 56.7 -68.6-128.2-133.7 -28.4 -31.5 51.1 38 49 A A S S+ 0 0 71 -2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.749 124.1 1.2 -98.0 -31.5 -26.1 -33.9 52.9 39 50 A D S S+ 0 0 89 1,-0.1 -30,-2.6 -31,-0.0 2,-0.3 0.466 120.6 69.9-132.3 -13.8 -23.5 -31.5 54.3 40 51 A I E -A 8 0A 1 -32,-0.2 -3,-1.9 -31,-0.1 2,-0.4 -0.883 52.0-170.6-120.1 142.8 -24.8 -28.0 53.2 41 52 A V E -AE 7 36A 7 -34,-2.2 -34,-3.3 -2,-0.3 2,-0.5 -0.999 14.5-143.3-131.2 134.4 -27.9 -26.0 54.3 42 53 A V E -AE 6 35A 0 -7,-2.3 -8,-2.5 -2,-0.4 -7,-0.7 -0.849 21.4-175.9 -98.6 132.9 -29.2 -22.7 52.7 43 54 A V E -AE 5 33A 1 -38,-1.9 -38,-2.0 -2,-0.5 2,-0.8 -0.992 21.7-142.4-134.4 126.1 -30.7 -20.1 55.1 44 55 A Q E - E 0 32A 38 -12,-2.8 -12,-1.6 -2,-0.4 2,-0.4 -0.805 22.2-139.2 -88.3 109.4 -32.4 -16.8 54.4 45 56 A V E E 0 31A 22 -2,-0.8 -14,-0.3 -14,-0.3 735,-0.0 -0.573 360.0 360.0 -70.5 122.0 -31.3 -14.2 57.0 46 57 A F 0 0 171 -16,-2.4 -44,-0.2 -2,-0.4 -14,-0.1 -0.472 360.0 360.0 61.7 360.0 -34.4 -12.2 58.0 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 71 A F 0 0 126 0, 0.0 -38,-0.2 0, 0.0 -37,-0.2 0.000 360.0 360.0 360.0-144.1 -30.3 -25.9 65.8 49 72 A T + 0 0 67 1,-0.1 -28,-0.2 -30,-0.1 2,-0.2 0.012 360.0 139.5 -42.3 125.9 -27.4 -23.4 66.4 50 73 A G E -d 21 0A 11 -30,-3.1 -28,-2.0 -40,-0.0 2,-0.3 -0.596 40.2-101.6-145.7-155.4 -24.6 -23.9 63.8 51 74 A E E -d 22 0A 91 -43,-0.4 -43,-2.8 -30,-0.3 -28,-0.1 -0.981 36.0 -83.4-148.6 157.3 -22.1 -22.2 61.6 52 75 A T B -B 7 0A 0 -30,-0.7 -45,-0.3 -2,-0.3 2,-0.2 -0.200 46.8-103.4 -59.9 144.3 -21.4 -21.2 58.0 53 76 A L - 0 0 17 -47,-2.6 34,-1.1 -12,-0.2 2,-0.3 -0.525 48.2-158.4 -63.0 133.7 -19.9 -23.5 55.4 54 77 A K E -F 86 0B 32 -2,-0.2 32,-0.2 32,-0.2 31,-0.1 -0.892 14.8-128.9-126.5 150.7 -16.3 -22.5 55.0 55 78 A L E -F 85 0B 0 30,-2.4 2,-1.6 -2,-0.3 30,-1.1 -0.851 24.2-123.5 -99.3 129.2 -13.6 -22.9 52.3 56 79 A P E -F 84 0B 24 0, 0.0 2,-0.6 0, 0.0 28,-0.2 -0.530 34.7-158.5 -67.9 88.5 -10.1 -24.2 53.3 57 80 A A E +F 83 0B 0 -2,-1.6 26,-1.9 26,-1.1 25,-1.0 -0.625 31.5 133.3 -79.9 114.3 -8.1 -21.2 51.9 58 81 A S > - 0 0 3 -2,-0.6 3,-1.5 24,-0.2 4,-0.2 -0.985 67.9-115.8-152.8 155.1 -4.5 -22.1 51.2 59 82 A V G > S+ 0 0 68 -2,-0.3 3,-0.7 1,-0.3 -2,-0.0 0.609 111.5 76.4 -64.0 -10.7 -1.8 -21.6 48.5 60 83 A D G 3 S+ 0 0 99 20,-0.3 -1,-0.3 1,-0.2 20,-0.1 0.308 71.2 82.8 -83.3 7.3 -2.1 -25.4 48.4 61 84 A L G X S+ 0 0 0 -3,-1.5 3,-1.6 2,-0.1 124,-0.3 0.841 72.6 85.5 -75.3 -36.2 -5.4 -25.1 46.5 62 85 A L T < S+ 0 0 39 -3,-0.7 122,-0.2 1,-0.2 119,-0.1 -0.502 91.3 29.0 -70.2 130.6 -3.5 -24.7 43.2 63 86 A G T 3 S+ 0 0 33 120,-1.5 2,-0.3 117,-0.9 -1,-0.2 0.237 105.4 99.0 101.5 -9.3 -2.7 -28.0 41.6 64 87 A R < - 0 0 35 -3,-1.6 121,-1.4 116,-0.2 2,-0.4 -0.830 59.9-145.8-118.5 150.9 -5.7 -29.7 43.2 65 88 A I E +g 185 0C 5 -2,-0.3 8,-2.2 119,-0.2 9,-1.3 -0.935 25.3 167.6-117.9 133.6 -9.2 -30.6 41.9 66 89 A L E -gH 186 72C 0 119,-2.5 121,-2.2 -2,-0.4 2,-0.1 -0.889 31.1-103.1-142.2 168.6 -12.3 -30.5 44.0 67 90 A S E > -g 187 0C 7 4,-3.7 3,-2.4 -2,-0.3 121,-0.2 -0.325 50.1 -87.7 -86.9 174.3 -16.1 -30.7 44.0 68 91 A G T 3 S+ 0 0 0 119,-0.8 135,-0.2 1,-0.3 120,-0.1 0.753 130.7 48.5 -54.1 -30.6 -18.6 -27.8 44.4 69 92 A S T 3 S- 0 0 7 2,-0.1 -1,-0.3 134,-0.0 119,-0.0 0.457 125.6-102.5 -88.3 -3.3 -18.5 -28.2 48.2 70 93 A G S < S+ 0 0 8 -3,-2.4 9,-0.3 1,-0.3 -2,-0.2 0.565 72.8 147.2 91.4 11.1 -14.7 -28.3 48.2 71 94 A E - 0 0 73 1,-0.1 -4,-3.7 7,-0.1 -1,-0.3 -0.594 54.7-101.0 -77.6 141.1 -14.5 -32.1 48.6 72 95 A P B +H 66 0C 40 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.287 41.6 168.3 -66.0 145.9 -11.5 -33.6 46.8 73 96 A R + 0 0 92 -8,-2.2 -7,-0.2 -6,-0.1 -2,-0.0 0.499 63.8 79.0-127.3 -20.2 -11.9 -35.4 43.4 74 97 A D S S- 0 0 53 -9,-1.3 -8,-0.1 3,-0.1 0, 0.0 0.142 107.9-109.1 -82.1 19.1 -8.3 -35.9 42.3 75 98 A G S S+ 0 0 78 1,-0.2 -1,-0.1 -10,-0.1 0, 0.0 0.199 84.0 119.0 76.1 -16.9 -7.9 -38.9 44.6 76 99 A G - 0 0 34 -11,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.178 67.7 -75.1 -72.4-169.6 -5.6 -36.8 46.8 77 100 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.267 57.3 -75.3 -73.7-164.1 -5.8 -35.7 50.5 78 101 A R - 0 0 176 -7,-0.1 2,-0.2 -6,-0.1 -7,-0.1 -0.855 56.1 -98.7 -97.8 139.4 -8.0 -33.1 52.1 79 102 A I - 0 0 17 -2,-0.4 -18,-0.1 -9,-0.3 -22,-0.0 -0.383 33.1-131.4 -63.1 119.4 -7.0 -29.5 51.6 80 103 A V - 0 0 96 -2,-0.2 2,-0.5 -20,-0.1 -20,-0.3 -0.642 25.1-133.2 -75.8 110.6 -5.0 -28.2 54.7 81 104 A P + 0 0 72 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.536 28.6 179.8 -79.2 116.5 -6.6 -24.9 55.6 82 105 A D S S+ 0 0 121 -25,-1.0 2,-0.3 -2,-0.5 -24,-0.2 0.862 85.0 10.4 -73.2 -40.5 -4.2 -22.0 56.3 83 106 A Q E S-F 57 0B 76 -26,-1.9 -26,-1.1 -3,-0.1 2,-0.3 -0.864 70.4-133.6-129.3 169.5 -7.4 -19.9 56.9 84 107 A L E +F 56 0B 109 -2,-0.3 2,-0.1 -28,-0.2 0, 0.0 -0.638 38.1 179.2-124.4 72.2 -11.1 -20.7 57.3 85 108 A L E -F 55 0B 16 -30,-1.1 -30,-2.4 -2,-0.3 2,-0.3 -0.310 27.9-106.3 -82.7 158.6 -12.8 -18.1 55.1 86 109 A D E > -F 54 0B 6 -32,-0.2 3,-0.9 1,-0.1 5,-0.3 -0.598 19.5-133.0 -90.6 143.5 -16.5 -17.7 54.4 87 110 A I T 3 S+ 0 0 0 -34,-1.1 119,-0.3 -2,-0.3 2,-0.1 0.848 93.6 60.4 -61.7 -46.5 -18.2 -18.7 51.0 88 111 A N T 3 S- 0 0 13 -82,-0.1 -1,-0.2 1,-0.1 115,-0.1 0.100 110.3-107.0 -84.4 26.0 -20.3 -15.6 50.1 89 112 A G S < S+ 0 0 9 -3,-0.9 -2,-0.1 113,-0.2 4,-0.1 0.816 84.5 122.3 58.8 38.4 -17.4 -13.2 49.9 90 113 A A + 0 0 39 -4,-0.2 -1,-0.1 688,-0.1 -3,-0.1 -0.019 45.7 93.1-113.9 26.2 -18.3 -11.3 53.1 91 114 A A S S- 0 0 48 -5,-0.3 -1,-0.1 -67,-0.1 -4,-0.1 0.969 105.5 -10.0 -87.9 -63.0 -14.9 -11.9 54.8 92 115 A M S S- 0 0 48 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.716 75.9-130.5-104.7 -28.1 -12.5 -9.0 54.1 93 116 A N - 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