==== 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 08-JUL-11 3SSA . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR L.SUNDARARAMAN,M.S.S.MANIMEKALAI,J.JEYAKANTHAN,G.GRUBER . 863 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 627 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 78 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.9 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 1 1 2 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 1 5 0 3 3 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 . 10 4 0 3 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 1 0 2 0 1 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 12 A A 0 0 101 0, 0.0 45,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 118.5 -33.7 -11.3 55.8 2 13 A G + 0 0 24 43,-3.7 44,-0.1 1,-0.3 2,-0.1 0.175 360.0 8.3-122.1-115.8 -30.4 -10.5 54.2 3 14 A P - 0 0 12 0, 0.0 42,-2.8 0, 0.0 2,-0.4 -0.387 61.0-120.7 -70.9 155.3 -27.4 -12.1 52.7 4 15 A L E -A 44 0A 12 789,-0.7 2,-0.3 40,-0.2 40,-0.2 -0.736 32.9-176.0 -87.9 136.6 -27.0 -15.9 52.0 5 16 A I E -A 43 0A 7 38,-2.9 38,-2.5 -2,-0.4 2,-0.4 -0.855 21.3-125.5-127.9 167.3 -24.1 -17.5 53.8 6 17 A F E -A 42 0A 5 -2,-0.3 51,-2.6 36,-0.2 2,-0.3 -0.953 26.8-166.6-124.3 133.3 -22.8 -21.1 53.6 7 18 A V E -AB 41 56A 1 34,-2.9 34,-2.6 -2,-0.4 2,-0.5 -0.866 27.7-108.6-129.4 143.7 -22.4 -23.2 56.7 8 19 A E E -A 40 0A 73 47,-3.0 47,-0.5 -2,-0.3 2,-0.3 -0.666 38.9-134.3 -69.8 117.2 -20.7 -26.5 57.7 9 20 A K + 0 0 50 30,-2.1 -1,-0.0 -2,-0.5 45,-0.0 -0.579 37.3 161.7 -76.4 132.2 -23.5 -29.1 58.2 10 21 A T + 0 0 103 1,-0.4 -1,-0.2 -2,-0.3 29,-0.1 0.396 68.2 12.1-128.9 -9.5 -23.0 -31.1 61.3 11 22 A E S S- 0 0 92 27,-0.0 -1,-0.4 41,-0.0 41,-0.0 -0.970 93.4 -77.1-158.5 160.9 -26.6 -32.4 61.7 12 23 A P - 0 0 120 0, 0.0 2,-0.3 0, 0.0 26,-0.0 -0.265 49.5-166.2 -59.8 147.9 -29.8 -32.6 59.7 13 24 A V - 0 0 28 4,-0.0 2,-0.2 -4,-0.0 3,-0.1 -0.973 12.4-126.8-132.4 158.1 -31.7 -29.3 59.5 14 25 A G > - 0 0 35 -2,-0.3 3,-2.0 1,-0.1 19,-0.3 -0.598 38.5 -84.9-103.5 161.0 -35.3 -28.4 58.5 15 26 A Y T 3 S+ 0 0 132 1,-0.3 19,-0.2 -2,-0.2 -1,-0.1 -0.351 116.6 8.3 -63.1 136.1 -36.4 -25.7 56.0 16 27 A N T 3 S+ 0 0 72 17,-2.7 -1,-0.3 1,-0.2 18,-0.1 0.537 89.3 158.9 67.3 9.6 -36.6 -22.4 57.7 17 28 A E < - 0 0 58 -3,-2.0 16,-2.3 15,-0.1 2,-0.4 -0.375 42.7-122.2 -62.7 139.8 -35.0 -23.7 60.8 18 29 A I E +C 32 0A 72 14,-0.2 34,-0.5 -3,-0.1 2,-0.3 -0.647 39.7 174.7 -85.5 133.2 -33.5 -20.9 62.9 19 30 A V E -Cd 31 52A 0 12,-2.7 12,-2.3 -2,-0.4 2,-0.4 -0.927 30.3-131.4-140.5 156.3 -29.8 -21.3 63.5 20 31 A N E -Cd 30 53A 27 32,-2.9 34,-2.5 -2,-0.3 2,-0.5 -0.927 26.8-160.7-106.2 135.7 -26.9 -19.4 65.1 21 32 A I E -Cd 29 54A 0 8,-3.5 8,-2.3 -2,-0.4 2,-0.7 -0.980 16.1-143.8-125.8 127.1 -23.8 -19.2 63.0 22 33 A K E -Cd 28 55A 88 32,-3.2 34,-2.0 -2,-0.5 6,-0.2 -0.805 30.3-148.7 -82.0 120.4 -20.2 -18.5 64.1 23 34 A M > - 0 0 13 4,-2.7 3,-2.0 -2,-0.7 -16,-0.0 -0.332 25.7-102.2 -88.9 167.9 -18.7 -16.4 61.2 24 35 A G T 3 S+ 0 0 40 1,-0.3 64,-0.1 2,-0.1 -1,-0.1 0.769 120.6 57.3 -63.0 -25.7 -15.1 -16.4 60.1 25 36 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.466 120.7-105.4 -86.4 -1.8 -14.5 -13.0 61.8 26 37 A G S < S+ 0 0 40 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.272 83.5 117.6 100.3 -12.5 -15.6 -14.5 65.2 27 38 A T - 0 0 58 -5,-0.1 -4,-2.7 1,-0.1 -1,-0.4 -0.313 60.0-122.0 -82.4 171.1 -19.0 -12.8 65.4 28 39 A V E -C 22 0A 82 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.868 20.3-167.6-118.9 145.5 -22.3 -14.6 65.4 29 40 A R E -C 21 0A 83 -8,-2.3 -8,-3.5 -2,-0.3 2,-0.4 -0.965 12.9-145.4-124.7 147.2 -25.3 -14.4 63.0 30 41 A R E +C 20 0A 115 18,-0.5 16,-2.9 16,-0.4 2,-0.3 -0.886 37.3 150.1-101.6 146.8 -28.8 -15.7 63.5 31 42 A G E -CE 19 45A 0 -12,-2.3 -12,-2.7 -2,-0.4 2,-0.4 -0.922 42.5-102.3-161.3-175.8 -30.4 -16.9 60.2 32 43 A Q E -CE 18 44A 42 12,-2.2 12,-2.8 -2,-0.3 -14,-0.2 -0.953 34.9-116.0-119.9 137.5 -32.9 -19.3 58.6 33 44 A V E + E 0 43A 4 -16,-2.3 -17,-2.7 -2,-0.4 10,-0.3 -0.508 30.2 176.0 -74.7 137.6 -32.0 -22.5 56.7 34 45 A L E - 0 0 4 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.717 61.7 -30.8-105.3 -38.4 -32.9 -22.5 53.0 35 46 A D E - E 0 42A 29 7,-1.1 7,-3.0 205,-0.1 -1,-0.4 -0.957 56.3-157.6-169.2 172.3 -31.4 -25.8 51.7 36 47 A S E - E 0 41A 36 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.982 12.1-153.4-161.1 158.3 -28.5 -28.2 52.3 37 48 A S - 0 0 11 3,-2.5 5,-0.0 -2,-0.3 -2,-0.0 -0.451 59.5 -75.9-111.3-172.4 -26.4 -31.0 50.9 38 49 A A S S+ 0 0 88 -2,-0.2 3,-0.0 1,-0.2 -27,-0.0 0.865 130.2 15.9 -54.2 -36.4 -24.7 -33.7 53.0 39 50 A D S S+ 0 0 67 1,-0.1 -30,-2.1 -31,-0.1 2,-0.4 0.523 117.9 62.7-125.8 4.7 -22.1 -31.3 54.2 40 51 A I E -A 8 0A 1 -32,-0.2 -3,-2.5 17,-0.0 2,-0.4 -0.980 52.9-163.1-132.9 139.3 -23.2 -27.7 53.4 41 52 A V E -AE 7 36A 0 -34,-2.6 -34,-2.9 -2,-0.4 2,-0.6 -0.958 14.4-143.5-117.7 137.5 -26.3 -25.6 54.7 42 53 A V E -AE 6 35A 0 -7,-3.0 -8,-3.2 -2,-0.4 -7,-1.1 -0.896 26.1-175.5 -98.0 125.3 -27.4 -22.5 52.9 43 54 A V E -AE 5 33A 1 -38,-2.5 -38,-2.9 -2,-0.6 2,-0.6 -0.964 23.6-145.4-126.5 136.5 -28.6 -20.0 55.4 44 55 A Q E -AE 4 32A 21 -12,-2.8 -12,-2.2 -2,-0.4 -40,-0.2 -0.890 31.0-138.7 -98.4 122.0 -30.2 -16.6 54.9 45 56 A V E - E 0 31A 7 -42,-2.8 -43,-3.7 -2,-0.6 -14,-0.3 -0.457 3.4-134.0 -83.9 154.8 -29.0 -14.3 57.8 46 57 A F - 0 0 58 -16,-2.9 -16,-0.4 -45,-0.2 2,-0.2 -0.733 30.4-102.5 -92.3 150.6 -30.9 -11.8 59.8 47 58 A E S S- 0 0 151 -2,-0.3 749,-0.0 2,-0.1 -18,-0.0 -0.574 75.3 -48.0 -71.5 136.8 -29.7 -8.2 60.6 48 59 A G 0 0 63 1,-0.3 -18,-0.5 -2,-0.2 -2,-0.2 -0.024 360.0 360.0 45.2-130.7 -28.3 -7.9 64.2 49 60 A T 0 0 165 -20,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.635 360.0 360.0 -35.4 360.0 -30.7 -9.4 66.8 50 ! 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 51 70 A I 0 0 130 0, 0.0 -32,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 156.3 -31.1 -24.2 68.6 52 71 A F E -d 19 0A 15 -34,-0.5 -32,-2.9 1,-0.0 2,-0.4 -0.421 360.0-162.1 -66.3 136.1 -28.4 -25.4 66.1 53 72 A T E +d 20 0A 90 -34,-0.2 2,-0.2 -2,-0.1 -32,-0.2 -0.982 18.5 170.2-121.2 127.2 -25.0 -23.5 66.2 54 73 A G E -d 21 0A 5 -34,-2.5 -32,-3.2 -2,-0.4 2,-0.4 -0.667 28.8-125.4-132.4 170.7 -22.8 -23.9 63.2 55 74 A E E -d 22 0A 89 -47,-0.5 -47,-3.0 -2,-0.2 -32,-0.2 -0.956 37.9 -97.6-119.2 156.4 -19.7 -22.5 61.7 56 75 A T B -B 7 0A 4 -34,-2.0 -49,-0.3 -2,-0.4 2,-0.3 -0.305 40.0-102.7 -69.2 151.3 -19.4 -21.1 58.2 57 76 A L - 0 0 21 -51,-2.6 34,-0.6 -16,-0.2 2,-0.3 -0.588 48.8-153.4 -66.7 131.0 -18.0 -23.2 55.4 58 77 A K E -F 90 0B 26 -2,-0.3 32,-0.2 32,-0.2 149,-0.1 -0.840 20.5-131.7-114.8 147.8 -14.4 -22.1 54.8 59 78 A L E -F 89 0B 0 30,-2.6 30,-2.1 -2,-0.3 2,-1.1 -0.814 28.3-131.8 -80.3 130.4 -11.9 -22.0 52.0 60 79 A P E -F 88 0B 21 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.780 34.3-155.9 -81.5 99.1 -8.6 -23.4 53.4 61 80 A A E +F 87 0B 0 26,-3.1 25,-3.5 -2,-1.1 26,-1.9 -0.704 33.2 130.6 -92.0 128.8 -6.6 -20.5 52.0 62 81 A S > - 0 0 2 -2,-0.4 3,-2.0 23,-0.2 4,-0.2 -0.937 67.3-112.2-162.1 155.3 -2.9 -21.0 51.3 63 82 A V G > S+ 0 0 56 -2,-0.3 3,-1.8 1,-0.3 -1,-0.0 0.764 112.9 76.2 -63.7 -17.3 -0.5 -20.4 48.4 64 83 A D G 3 + 0 0 113 1,-0.3 -1,-0.3 20,-0.2 20,-0.1 0.458 69.0 83.2 -76.7 3.7 -0.4 -24.2 48.3 65 84 A L G X S+ 0 0 0 -3,-2.0 3,-1.6 2,-0.1 -1,-0.3 0.820 72.3 94.5 -63.7 -32.4 -3.9 -24.1 46.7 66 85 A L T < S+ 0 0 36 -3,-1.8 122,-0.2 1,-0.2 119,-0.1 -0.450 87.0 25.9 -60.7 135.7 -1.8 -23.6 43.5 67 86 A G T 3 S+ 0 0 27 120,-3.0 2,-0.3 117,-0.8 -1,-0.2 0.459 100.7 114.9 89.5 6.3 -1.2 -26.9 41.7 68 87 A R E < -g 188 0C 36 -3,-1.6 121,-2.3 119,-0.6 2,-0.5 -0.840 54.6-150.9-114.3 147.7 -4.3 -28.6 43.2 69 88 A I E +g 189 0C 0 -2,-0.3 8,-3.1 119,-0.2 9,-0.7 -0.982 30.4 173.1-112.4 123.2 -7.5 -29.9 41.7 70 89 A L E -gH 190 76C 0 119,-3.2 121,-2.8 -2,-0.5 2,-0.1 -0.707 30.9-107.9-127.3 165.1 -10.4 -29.7 44.1 71 90 A S E > -g 191 0C 11 4,-2.8 3,-1.7 119,-0.2 121,-0.2 -0.295 50.8 -86.3 -79.1-177.0 -14.2 -30.2 44.1 72 91 A G T 3 S+ 0 0 0 119,-0.7 135,-0.3 1,-0.3 136,-0.1 0.723 132.8 50.1 -62.4 -29.0 -16.7 -27.4 44.3 73 92 A S T 3 S- 0 0 8 2,-0.1 -1,-0.3 134,-0.1 -15,-0.1 0.278 124.4-102.4 -92.8 -0.5 -16.4 -27.5 48.1 74 93 A G S < S+ 0 0 4 -3,-1.7 9,-0.4 1,-0.3 -2,-0.1 0.527 75.1 141.2 94.5 8.3 -12.6 -27.3 48.0 75 94 A E - 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