==== 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 22-AUG-11 3TIV . 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 . 867 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 632 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 83 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 26.2 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 1 2 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 1 5 0 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 PARALLEL BRIDGES PER LADDER . 10 6 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 . 6 2 0 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 99 0, 0.0 45,-0.2 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 -15.4 -34.1 -10.7 55.5 2 13 A G - 0 0 24 43,-1.6 44,-0.1 1,-0.3 795,-0.1 -0.291 360.0 -2.6-139.0-139.3 -30.6 -10.4 54.2 3 14 A P - 0 0 11 0, 0.0 42,-2.6 0, 0.0 2,-0.4 -0.268 56.5-120.6 -67.2 147.2 -27.5 -12.1 52.7 4 15 A L E -A 44 0A 14 793,-0.7 2,-0.3 40,-0.2 40,-0.2 -0.716 34.5-174.9 -78.3 134.4 -27.2 -15.8 51.9 5 16 A I E -A 43 0A 7 38,-3.0 38,-2.6 -2,-0.4 2,-0.5 -0.876 20.9-125.5-127.2 164.5 -24.4 -17.5 53.8 6 17 A F E -A 42 0A 4 -2,-0.3 51,-3.2 36,-0.2 2,-0.3 -0.953 26.5-166.7-123.5 127.4 -23.0 -21.0 53.5 7 18 A V E -AB 41 56A 0 34,-3.0 34,-2.9 -2,-0.5 2,-0.5 -0.842 27.1-111.1-122.5 143.2 -22.7 -23.2 56.6 8 19 A E E -A 40 0A 74 47,-2.9 47,-0.4 -2,-0.3 2,-0.4 -0.631 38.4-131.1 -70.3 122.2 -21.0 -26.5 57.5 9 20 A K + 0 0 52 30,-2.4 -1,-0.1 -2,-0.5 45,-0.0 -0.639 39.2 160.6 -78.7 127.1 -23.7 -29.1 58.0 10 21 A T + 0 0 101 -2,-0.4 -1,-0.1 1,-0.4 29,-0.1 0.408 68.1 9.9-122.6 -3.4 -23.3 -31.1 61.2 11 22 A E S S- 0 0 92 27,-0.0 -1,-0.4 41,-0.0 41,-0.0 -0.972 92.2 -75.2-164.3 159.7 -26.9 -32.4 61.6 12 23 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 26,-0.0 -0.331 50.3-167.2 -60.9 145.3 -30.1 -32.6 59.6 13 24 A V - 0 0 29 4,-0.0 2,-0.2 39,-0.0 3,-0.0 -0.947 12.6-127.4-133.8 155.6 -32.0 -29.3 59.4 14 25 A G > - 0 0 35 -2,-0.3 3,-1.9 1,-0.1 19,-0.3 -0.632 38.5 -84.7-102.2 158.7 -35.5 -28.3 58.4 15 26 A Y T 3 S+ 0 0 134 1,-0.3 19,-0.2 -2,-0.2 -1,-0.1 -0.398 116.2 7.9 -58.9 133.8 -36.7 -25.7 55.9 16 27 A N T 3 S+ 0 0 69 17,-2.6 -1,-0.3 1,-0.2 2,-0.1 0.585 89.3 161.6 64.2 14.7 -36.9 -22.3 57.6 17 28 A E < - 0 0 57 -3,-1.9 16,-2.1 16,-0.1 2,-0.4 -0.433 41.8-121.0 -63.8 134.9 -35.2 -23.6 60.8 18 29 A I E +C 32 0A 75 14,-0.2 34,-0.5 -2,-0.1 2,-0.3 -0.683 40.7 176.6 -80.2 128.9 -33.8 -20.8 62.9 19 30 A V E -Cd 31 52A 1 12,-2.5 12,-2.1 -2,-0.4 2,-0.5 -0.929 30.6-134.5-134.6 152.5 -30.0 -21.2 63.5 20 31 A N E -Cd 30 53A 39 32,-2.8 34,-2.5 -2,-0.3 2,-0.5 -0.945 27.4-160.8-104.3 131.4 -27.1 -19.4 65.1 21 32 A I E -Cd 29 54A 0 8,-3.6 8,-2.3 -2,-0.5 2,-0.7 -0.963 15.4-142.6-122.9 126.4 -24.0 -19.2 62.9 22 33 A K E -Cd 28 55A 83 32,-3.2 34,-1.7 -2,-0.5 6,-0.2 -0.774 29.6-146.4 -82.2 114.1 -20.4 -18.5 63.9 23 34 A M > - 0 0 14 4,-3.0 3,-2.0 -2,-0.7 -1,-0.0 -0.284 23.9-104.4 -81.3 165.2 -18.9 -16.3 61.2 24 35 A G T 3 S+ 0 0 35 1,-0.3 64,-0.1 2,-0.1 -1,-0.1 0.801 121.0 55.3 -58.3 -32.0 -15.3 -16.3 59.9 25 36 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.470 122.0-105.6 -84.2 -1.2 -14.6 -13.1 61.8 26 37 A G S < S+ 0 0 37 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.279 83.1 119.0 97.0 -9.4 -15.8 -14.6 65.1 27 38 A T - 0 0 58 -5,-0.1 -4,-3.0 1,-0.0 -1,-0.4 -0.306 58.3-123.5 -78.7 170.5 -19.1 -12.8 65.3 28 39 A V E -C 22 0A 58 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.885 20.6-169.8-117.7 147.8 -22.5 -14.6 65.3 29 40 A R E -C 21 0A 86 -8,-2.3 -8,-3.6 -2,-0.3 2,-0.4 -0.967 14.4-143.0-126.8 150.2 -25.5 -14.3 63.1 30 41 A R E +C 20 0A 98 16,-0.4 16,-3.1 -2,-0.3 2,-0.3 -0.869 37.6 146.5-102.6 149.6 -29.0 -15.7 63.4 31 42 A G E -CE 19 45A 0 -12,-2.1 -12,-2.5 -2,-0.4 2,-0.4 -0.938 42.4 -97.3-163.5-176.7 -30.7 -16.8 60.2 32 43 A Q E -CE 18 44A 42 12,-2.5 12,-2.9 -2,-0.3 2,-0.2 -0.953 34.0-115.9-122.2 137.9 -33.1 -19.3 58.5 33 44 A V E + E 0 43A 4 -16,-2.1 -17,-2.6 -2,-0.4 10,-0.2 -0.514 31.2 172.6 -70.8 133.8 -32.2 -22.5 56.6 34 45 A L E - 0 0 3 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.722 62.0 -25.4-105.8 -39.6 -33.1 -22.4 52.9 35 46 A D E - E 0 42A 28 7,-1.1 7,-3.0 205,-0.1 -1,-0.4 -0.960 56.9-158.4-165.3 172.3 -31.6 -25.7 51.5 36 47 A S E - E 0 41A 35 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.981 12.0-158.9-163.7 150.2 -28.9 -28.2 52.2 37 48 A S - 0 0 11 3,-2.5 5,-0.0 -2,-0.3 -2,-0.0 -0.450 58.2 -79.3-106.5-170.2 -26.6 -30.9 50.8 38 49 A A S S+ 0 0 79 -2,-0.2 3,-0.1 1,-0.2 -27,-0.0 0.868 129.8 19.3 -58.0 -37.0 -24.9 -33.6 52.9 39 50 A D S S+ 0 0 95 1,-0.1 -30,-2.4 -31,-0.1 2,-0.4 0.503 118.8 60.6-115.1 -11.3 -22.1 -31.2 53.9 40 51 A I E -A 8 0A 0 -32,-0.2 -3,-2.5 17,-0.0 2,-0.4 -0.974 52.3-163.8-133.2 135.2 -23.5 -27.7 53.3 41 52 A V E -AE 7 36A 0 -34,-2.9 -34,-3.0 -2,-0.4 2,-0.6 -0.954 15.4-143.2-115.0 136.1 -26.5 -25.6 54.5 42 53 A V E -AE 6 35A 0 -7,-3.0 -8,-3.3 -2,-0.4 -7,-1.1 -0.886 26.9-176.0 -96.1 122.3 -27.7 -22.4 52.8 43 54 A V E -AE 5 33A 1 -38,-2.6 -38,-3.0 -2,-0.6 2,-0.6 -0.964 23.2-146.8-125.2 135.4 -28.8 -19.9 55.4 44 55 A Q E -AE 4 32A 25 -12,-2.9 -12,-2.5 -2,-0.4 -40,-0.2 -0.907 29.9-138.1 -98.5 119.4 -30.4 -16.5 55.0 45 56 A V E - E 0 31A 7 -42,-2.6 -43,-1.6 -2,-0.6 2,-0.3 -0.358 2.8-135.1 -79.6 155.9 -29.2 -14.2 57.8 46 57 A F - 0 0 60 -16,-3.1 -16,-0.4 -45,-0.2 2,-0.3 -0.818 31.2-104.5 -99.0 148.5 -31.2 -11.7 59.8 47 58 A E 0 0 132 -2,-0.3 753,-0.0 1,-0.2 -18,-0.0 -0.567 360.0 360.0 -72.3 133.7 -29.8 -8.3 60.6 48 59 A G 0 0 85 -2,-0.3 -1,-0.2 -18,-0.0 -19,-0.1 0.928 360.0 360.0 64.1 360.0 -28.5 -7.9 64.1 49 ! 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 50 69 A V 0 0 195 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.3 -32.2 -24.3 72.2 51 70 A I - 0 0 77 -34,-0.0 -32,-0.1 1,-0.0 2,-0.1 -0.887 360.0 -77.0-132.3 164.4 -31.3 -24.1 68.5 52 71 A F E -d 19 0A 14 -34,-0.5 -32,-2.8 -2,-0.3 2,-0.5 -0.392 39.1-161.0 -60.3 130.0 -28.6 -25.4 66.1 53 72 A T E +d 20 0A 92 -34,-0.2 2,-0.2 -2,-0.1 -32,-0.2 -0.980 20.4 167.1-115.2 127.9 -25.3 -23.5 66.2 54 73 A G E -d 21 0A 6 -34,-2.5 -32,-3.2 -2,-0.5 2,-0.3 -0.736 30.5-122.4-132.1 175.5 -23.0 -23.9 63.2 55 74 A E E -d 22 0A 98 -47,-0.4 -47,-2.9 -2,-0.2 -32,-0.2 -0.918 37.2 -99.1-120.8 152.8 -19.9 -22.5 61.6 56 75 A T B -B 7 0A 4 -34,-1.7 -49,-0.3 -2,-0.3 2,-0.3 -0.322 40.6-100.3 -67.3 150.5 -19.7 -21.1 58.1 57 76 A L - 0 0 20 -51,-3.2 34,-0.6 -16,-0.2 2,-0.3 -0.594 49.7-152.7 -68.3 130.6 -18.3 -23.1 55.2 58 77 A K E -F 90 0B 28 -2,-0.3 32,-0.2 32,-0.1 149,-0.0 -0.851 19.7-132.6-114.4 142.8 -14.7 -22.1 54.7 59 78 A L E -F 89 0B 0 30,-2.7 30,-2.1 -2,-0.3 2,-1.4 -0.812 28.4-131.4 -80.4 127.1 -12.2 -21.9 51.9 60 79 A P E -F 88 0B 22 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.711 34.6-154.5 -75.6 92.9 -8.9 -23.4 53.3 61 80 A A E +F 87 0B 0 26,-2.5 25,-3.0 -2,-1.4 26,-1.9 -0.623 34.6 127.8 -84.3 124.8 -6.9 -20.5 52.0 62 81 A S > - 0 0 10 -2,-0.4 3,-1.7 23,-0.2 4,-0.2 -0.949 67.3-112.9-161.4 157.4 -3.2 -21.0 51.2 63 82 A V G > S+ 0 0 55 -2,-0.3 3,-1.8 1,-0.3 -2,-0.0 0.740 112.6 75.2 -64.9 -20.7 -0.8 -20.5 48.3 64 83 A D G 3 S+ 0 0 113 1,-0.3 -1,-0.3 20,-0.2 20,-0.0 0.427 70.0 83.6 -76.0 3.0 -0.7 -24.3 48.2 65 84 A L G X S+ 0 0 0 -3,-1.7 3,-1.7 2,-0.1 124,-0.3 0.806 73.5 93.0 -62.1 -33.7 -4.1 -24.1 46.6 66 85 A L T < S+ 0 0 42 -3,-1.8 122,-0.2 1,-0.2 119,-0.1 -0.453 86.9 26.4 -63.8 132.5 -2.1 -23.6 43.5 67 86 A G T 3 S+ 0 0 26 120,-2.8 2,-0.3 117,-0.9 -1,-0.2 0.426 101.3 114.7 94.2 2.3 -1.4 -26.9 41.7 68 87 A R E < -g 188 0C 36 -3,-1.7 121,-2.4 119,-0.5 2,-0.5 -0.817 54.1-151.1-113.4 145.9 -4.6 -28.5 43.2 69 88 A I E +g 189 0C 0 -2,-0.3 8,-2.8 119,-0.2 9,-0.9 -0.972 29.7 174.2-113.9 120.3 -7.8 -29.8 41.6 70 89 A L E -gH 190 76C 0 119,-3.5 121,-3.3 -2,-0.5 2,-0.1 -0.709 30.6-107.7-123.3 165.4 -10.8 -29.6 44.0 71 90 A S E > -g 191 0C 10 4,-2.8 3,-1.8 -2,-0.2 121,-0.2 -0.280 51.6 -88.1 -77.9 179.0 -14.5 -30.2 44.0 72 91 A G T 3 S+ 0 0 0 119,-0.6 135,-0.3 1,-0.3 120,-0.1 0.749 132.6 49.7 -60.4 -25.1 -17.0 -27.3 44.2 73 92 A S T 3 S- 0 0 11 2,-0.1 -1,-0.3 134,-0.1 -15,-0.1 0.325 124.3-103.0 -96.5 2.8 -16.8 -27.4 48.0 74 93 A G S < S+ 0 0 4 -3,-1.8 9,-0.4 1,-0.3 -2,-0.1 0.558 74.0 141.0 90.3 8.9 -12.9 -27.4 47.9 75 94 A E - 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