==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-AUG-11 3TGW . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR V.S.TADWAL,M.S.S.MANIMEKALAI,J.JEYAKANTHAN,G.GRUBER . 886 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 9.5 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 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 . 79 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 2 2 1 1 2 2 0 2 0 2 0 0 0 0 0 2 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 4 0 2 3 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 . 12 4 0 2 6 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 0 0 2 0 0 0 2 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 11 A I 0 0 129 0, 0.0 46,-0.2 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 54.4 -35.0 -9.1 57.9 2 12 A A + 0 0 62 44,-0.2 45,-0.2 43,-0.1 3,-0.1 0.990 360.0 150.5 62.1 72.1 -34.1 -11.4 55.0 3 13 A G - 0 0 25 43,-3.0 44,-0.1 1,-0.3 813,-0.1 0.261 41.5 -8.0 -99.3-129.9 -30.6 -10.4 54.1 4 14 A P - 0 0 13 0, 0.0 42,-2.7 0, 0.0 2,-0.4 -0.314 60.6-122.0 -70.6 149.3 -27.6 -12.1 52.7 5 15 A L E -A 45 0A 12 811,-0.7 2,-0.3 40,-0.2 40,-0.2 -0.749 32.8-175.1 -83.4 137.4 -27.3 -15.9 52.0 6 16 A I E -A 44 0A 6 38,-2.9 38,-2.5 -2,-0.4 2,-0.4 -0.854 20.9-124.5-126.9 168.1 -24.4 -17.5 53.8 7 17 A F E -A 43 0A 4 -2,-0.3 57,-2.5 36,-0.2 2,-0.3 -0.945 26.1-167.8-124.8 130.6 -23.1 -21.1 53.6 8 18 A V E -AB 42 63A 0 34,-2.8 34,-2.9 -2,-0.4 2,-0.5 -0.887 28.4-110.3-127.4 145.8 -22.7 -23.2 56.7 9 19 A E E -A 41 0A 78 53,-2.8 53,-0.4 -2,-0.3 2,-0.3 -0.650 39.4-132.9 -73.9 124.2 -21.0 -26.5 57.5 10 20 A K + 0 0 47 30,-2.4 -1,-0.1 -2,-0.5 51,-0.0 -0.607 37.8 162.3 -83.7 132.8 -23.8 -29.0 58.1 11 21 A T + 0 0 101 1,-0.4 -1,-0.2 -2,-0.3 29,-0.1 0.417 67.9 13.4-126.6 -4.6 -23.4 -31.1 61.3 12 22 A E S S- 0 0 89 47,-0.0 -1,-0.4 28,-0.0 47,-0.0 -0.976 93.1 -77.5-159.6 160.9 -27.0 -32.4 61.7 13 23 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 26,-0.0 -0.316 49.1-166.9 -62.1 148.6 -30.3 -32.6 59.7 14 24 A V - 0 0 28 4,-0.0 2,-0.2 45,-0.0 3,-0.0 -0.958 12.5-129.1-134.0 158.6 -32.2 -29.3 59.5 15 25 A G > - 0 0 36 -2,-0.3 3,-1.9 1,-0.1 19,-0.2 -0.633 40.1 -82.1-106.9 161.5 -35.7 -28.3 58.4 16 26 A Y T 3 S+ 0 0 115 1,-0.3 19,-0.2 -2,-0.2 -1,-0.1 -0.355 116.5 7.6 -58.5 132.9 -36.8 -25.7 56.0 17 27 A N T 3 S+ 0 0 69 17,-2.8 -1,-0.3 1,-0.2 18,-0.1 0.600 88.3 161.1 66.2 12.5 -36.9 -22.3 57.7 18 28 A E < - 0 0 52 -3,-1.9 16,-2.3 16,-0.1 2,-0.5 -0.420 41.9-120.9 -63.4 135.3 -35.3 -23.6 60.8 19 29 A I E +C 33 0A 22 14,-0.2 40,-0.5 -2,-0.1 2,-0.3 -0.703 41.1 174.0 -82.2 128.0 -33.9 -20.8 63.0 20 30 A V E -Cd 32 59A 0 12,-2.5 12,-2.1 -2,-0.5 2,-0.4 -0.887 31.1-134.1-134.2 158.6 -30.2 -21.2 63.5 21 31 A N E -Cd 31 60A 48 38,-2.8 40,-2.3 -2,-0.3 2,-0.4 -0.972 26.5-163.1-108.8 136.0 -27.2 -19.3 65.1 22 32 A I E -Cd 30 61A 1 8,-3.7 8,-2.4 -2,-0.4 2,-0.7 -0.969 16.3-140.4-126.8 132.5 -24.1 -19.3 62.9 23 33 A K E -Cd 29 62A 101 38,-3.3 40,-1.8 -2,-0.4 6,-0.2 -0.815 29.3-144.3 -88.2 118.8 -20.5 -18.4 64.0 24 34 A M > - 0 0 18 4,-3.0 3,-1.9 -2,-0.7 -1,-0.0 -0.270 24.5-103.6 -78.5 165.3 -19.0 -16.3 61.2 25 35 A G T 3 S+ 0 0 39 1,-0.3 70,-0.1 2,-0.1 -1,-0.1 0.786 120.9 56.4 -58.1 -31.4 -15.3 -16.4 60.1 26 36 A D T 3 S- 0 0 114 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.476 121.6-104.7 -85.1 -0.5 -14.6 -13.2 61.9 27 37 A G S < S+ 0 0 43 -3,-1.9 -2,-0.1 1,-0.4 2,-0.1 0.265 84.2 117.6 100.5 -10.2 -15.8 -14.6 65.2 28 38 A T - 0 0 59 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.4 -0.320 58.6-124.1 -81.1 168.5 -19.2 -12.8 65.3 29 39 A V E -C 23 0A 101 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.841 18.9-167.2-111.3 153.0 -22.5 -14.6 65.3 30 40 A R E -C 22 0A 87 -8,-2.4 -8,-3.7 -2,-0.3 2,-0.4 -0.988 12.5-144.8-132.8 150.0 -25.5 -14.3 63.0 31 41 A R E +C 21 0A 56 16,-0.5 16,-2.9 18,-0.4 2,-0.3 -0.862 37.8 143.4-102.3 145.9 -29.1 -15.7 63.4 32 42 A G E -CE 20 46A 0 -12,-2.1 -12,-2.5 -2,-0.4 2,-0.4 -0.932 43.6 -97.2-162.5-172.8 -30.8 -16.8 60.2 33 43 A Q E -CE 19 45A 44 12,-2.2 12,-2.8 -2,-0.3 2,-0.2 -0.965 35.1-113.7-120.6 140.4 -33.2 -19.3 58.6 34 44 A V E + E 0 44A 4 -16,-2.3 -17,-2.8 -2,-0.4 10,-0.2 -0.499 30.7 174.6 -70.0 134.5 -32.3 -22.4 56.7 35 45 A L E - 0 0 3 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.710 62.4 -31.4-103.9 -39.4 -33.2 -22.4 52.9 36 46 A D E - E 0 43A 57 7,-1.1 7,-2.9 211,-0.1 -1,-0.4 -0.967 56.2-158.9-169.1 173.1 -31.7 -25.7 51.7 37 47 A S E - E 0 42A 37 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.986 12.2-153.7-163.7 158.5 -28.9 -28.2 52.2 38 48 A S - 0 0 11 3,-2.5 -2,-0.0 -2,-0.3 5,-0.0 -0.492 59.4 -75.1-114.6-172.0 -26.8 -31.0 50.9 39 49 A A S S+ 0 0 77 1,-0.2 3,-0.0 -2,-0.2 0, 0.0 0.865 129.6 15.6 -54.0 -38.2 -25.1 -33.6 53.0 40 50 A D S S+ 0 0 105 1,-0.1 -30,-2.4 -31,-0.1 2,-0.4 0.440 118.3 63.4-122.2 -0.8 -22.4 -31.3 54.2 41 51 A I E -A 9 0A 2 -32,-0.3 -3,-2.5 23,-0.0 2,-0.4 -0.977 53.0-163.2-133.4 139.2 -23.6 -27.7 53.4 42 52 A V E -AE 8 37A 0 -34,-2.9 -34,-2.8 -2,-0.4 2,-0.5 -0.973 13.5-145.0-117.8 137.6 -26.5 -25.6 54.6 43 53 A V E -AE 7 36A 0 -7,-2.9 -8,-3.1 -2,-0.4 -7,-1.1 -0.868 26.5-177.3 -97.7 125.3 -27.7 -22.5 52.8 44 54 A V E -AE 6 34A 1 -38,-2.5 -38,-2.9 -2,-0.5 2,-0.6 -0.972 23.7-142.4-128.5 139.4 -29.0 -19.9 55.4 45 55 A Q E -AE 5 33A 15 -12,-2.8 -12,-2.2 -2,-0.4 -40,-0.2 -0.904 30.3-132.7 -99.2 123.4 -30.5 -16.5 54.9 46 56 A V E - E 0 32A 7 -42,-2.7 -43,-3.0 -2,-0.6 2,-0.4 -0.345 5.1-138.8 -78.0 149.0 -29.3 -14.2 57.7 47 57 A F - 0 0 14 -16,-2.9 -16,-0.5 -45,-0.2 2,-0.2 -0.855 31.5-108.6 -92.4 142.1 -31.3 -11.8 59.8 48 58 A E S S- 0 0 116 -2,-0.4 771,-0.0 -18,-0.1 -18,-0.0 -0.519 74.5 -37.8 -69.4 137.8 -29.9 -8.3 60.5 49 59 A G S S+ 0 0 66 -2,-0.2 -18,-0.4 3,-0.0 -2,-0.1 -0.197 122.2 0.6 54.1-123.5 -28.6 -7.8 64.1 50 60 A T S S- 0 0 135 1,-0.2 -19,-0.2 -20,-0.1 -3,-0.1 0.391 119.7 -25.9 -67.8-147.9 -30.9 -9.5 66.8 51 61 A G 0 0 51 1,-0.1 -1,-0.2 -50,-0.0 -3,-0.0 -0.355 360.0 360.0 -69.8 151.3 -34.0 -11.5 65.6 52 62 A G 0 0 58 -3,-0.1 -5,-0.1 -2,-0.1 -1,-0.1 -0.588 360.0 360.0-147.7 360.0 -35.8 -10.7 62.3 53 ! 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 54 66 A D 0 0 146 0, 0.0 -34,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.9 -36.7 -21.6 66.8 55 67 A C + 0 0 103 -36,-0.1 -35,-0.0 0, 0.0 0, 0.0 0.302 360.0 34.8 179.4 9.6 -35.7 -19.4 69.8 56 68 A G S S+ 0 0 70 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.572 120.2 23.0-124.0 -68.4 -34.7 -21.8 72.7 57 69 A V S S+ 0 0 159 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.353 87.7 165.3-107.7 53.0 -32.9 -25.0 71.8 58 70 A I - 0 0 32 -2,-0.5 2,-0.1 1,-0.1 -38,-0.1 -0.272 41.6-100.0 -92.6 151.0 -31.5 -24.0 68.5 59 71 A F E -d 20 0A 12 -40,-0.5 -38,-2.8 -2,-0.1 2,-0.4 -0.438 31.8-162.3 -59.4 131.1 -28.7 -25.3 66.0 60 72 A T E +d 21 0A 89 -40,-0.2 2,-0.2 -2,-0.1 -38,-0.2 -0.982 20.1 165.2-117.9 129.3 -25.4 -23.5 66.2 61 73 A G E -d 22 0A 5 -40,-2.3 -38,-3.3 -2,-0.4 2,-0.3 -0.761 31.4-121.0-137.4 174.2 -23.1 -23.9 63.3 62 74 A E E -d 23 0A 94 -53,-0.4 -53,-2.8 -2,-0.2 -38,-0.2 -0.922 37.7 -97.9-119.8 152.4 -20.0 -22.5 61.7 63 75 A T B -B 8 0A 3 -40,-1.8 -55,-0.3 -2,-0.3 2,-0.3 -0.317 39.7-103.1 -64.8 151.9 -19.7 -21.1 58.2 64 76 A L - 0 0 21 -57,-2.5 34,-0.6 -22,-0.2 2,-0.4 -0.546 48.9-156.2 -69.8 130.1 -18.3 -23.2 55.4 65 77 A K E -F 97 0B 24 -2,-0.3 32,-0.2 32,-0.2 149,-0.0 -0.899 21.7-127.9-117.4 152.0 -14.8 -22.0 54.7 66 78 A L E -F 96 0B 0 30,-2.4 30,-2.3 -2,-0.4 2,-1.2 -0.797 28.0-131.5 -80.2 126.8 -12.2 -22.0 52.0 67 79 A P E -F 95 0B 20 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.731 35.8-156.7 -77.0 94.9 -9.0 -23.5 53.4 68 80 A A E +F 94 0B 0 26,-2.5 25,-3.3 -2,-1.2 26,-1.8 -0.642 32.7 129.8 -88.7 128.6 -6.9 -20.6 51.9 69 81 A S > - 0 0 9 -2,-0.3 3,-2.1 23,-0.2 4,-0.2 -0.917 67.4-111.1-164.1 156.3 -3.2 -21.1 51.2 70 82 A V G > S+ 0 0 57 1,-0.3 3,-1.8 -2,-0.3 -1,-0.0 0.775 113.1 75.1 -65.2 -17.1 -0.8 -20.5 48.4 71 83 A D G 3 + 0 0 114 1,-0.3 -1,-0.3 20,-0.2 20,-0.1 0.440 69.4 83.3 -77.4 0.4 -0.8 -24.3 48.3 72 84 A L G X S+ 0 0 0 -3,-2.1 3,-1.7 2,-0.1 -1,-0.3 0.796 72.7 95.7 -57.8 -36.1 -4.2 -24.2 46.6 73 85 A L T < S+ 0 0 41 -3,-1.8 122,-0.2 1,-0.3 119,-0.1 -0.444 86.4 24.6 -62.0 132.2 -2.2 -23.7 43.5 74 86 A G T 3 S+ 0 0 25 120,-3.2 2,-0.3 117,-0.8 -1,-0.3 0.485 100.3 114.5 93.3 5.8 -1.6 -27.0 41.7 75 87 A R E < -g 195 0C 38 -3,-1.7 121,-2.4 119,-0.6 2,-0.6 -0.843 54.7-148.9-112.9 149.1 -4.7 -28.7 43.2 76 88 A I E +g 196 0C 0 -2,-0.3 8,-3.0 119,-0.2 9,-0.7 -0.971 30.9 174.8-115.3 119.9 -7.9 -30.0 41.6 77 89 A L E -gH 197 83C 0 119,-3.5 121,-3.2 -2,-0.6 2,-0.1 -0.691 31.1-107.2-121.1 163.7 -10.8 -29.7 44.0 78 90 A S E > -g 198 0C 10 4,-2.7 3,-1.6 119,-0.2 121,-0.2 -0.292 51.4 -89.5 -72.9 176.5 -14.6 -30.3 44.1 79 91 A G T 3 S+ 0 0 0 119,-0.7 135,-0.3 1,-0.3 136,-0.1 0.720 131.2 51.2 -60.0 -24.0 -17.0 -27.3 44.2 80 92 A S T 3 S- 0 0 16 2,-0.1 -1,-0.3 134,-0.1 -15,-0.1 0.301 124.6-101.6 -95.7 0.5 -16.8 -27.5 48.1 81 93 A G S < S+ 0 0 3 -3,-1.6 9,-0.4 1,-0.3 -2,-0.1 0.508 75.6 139.2 96.1 3.7 -13.0 -27.4 48.1 82 94 A E - 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