==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAR-04 1VDZ . COMPND 2 MOLECULE: A-TYPE ATPASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.MAEGAWA,H.MORITA,M.YAO,N.WATANABE,I.TANAKA . 513 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 10.3 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 4 1 0 2 0 1 1 0 0 1 0 1 0 0 0 1 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 0 2 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 PARALLEL BRIDGES PER LADDER . 4 3 2 4 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 . 2 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 60 A R 0 0 69 0, 0.0 2,-1.7 0, 0.0 46,-0.2 0.000 360.0 360.0 360.0-143.8 80.3 99.2 46.5 2 61 A P - 0 0 92 0, 0.0 47,-0.1 0, 0.0 2,-0.1 -0.317 360.0 -85.2 83.4 -55.5 81.7 101.4 43.8 3 62 A G + 0 0 75 -2,-1.7 0, 0.0 1,-0.1 0, 0.0 0.055 66.0 128.5 121.7 129.5 78.3 102.4 42.5 4 63 A E + 0 0 84 -2,-0.1 2,-0.3 7,-0.0 -1,-0.1 -0.611 13.7 169.7 158.9 140.4 75.9 100.9 40.0 5 64 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.955 15.1 127.5-165.9 146.0 72.2 99.9 39.5 6 65 A V - 0 0 51 -2,-0.3 4,-0.1 2,-0.1 6,-0.1 -0.900 36.9-120.1 170.9 160.2 69.8 98.8 36.8 7 66 A V + 0 0 61 -2,-0.3 0, 0.0 2,-0.1 0, 0.0 0.258 65.7 68.1 -92.5-141.9 67.3 96.3 35.5 8 67 A G S S- 0 0 71 1,-0.1 2,-0.9 36,-0.0 -2,-0.1 0.119 105.5 -43.4 52.4-176.2 67.3 94.1 32.4 9 68 A T S S+ 0 0 131 1,-0.1 35,-0.2 35,-0.1 -1,-0.1 -0.758 122.4 28.0 -88.6 105.8 69.8 91.2 32.0 10 69 A G - 0 0 26 -2,-0.9 34,-0.2 33,-0.7 -1,-0.1 0.534 68.4-135.1 110.8 103.8 73.1 92.6 33.2 11 70 A A - 0 0 34 1,-0.1 33,-0.1 34,-0.1 -4,-0.1 0.953 67.1 -82.7 -45.3 -62.6 73.7 95.3 35.7 12 71 A S - 0 0 78 -8,-0.1 2,-0.5 -6,-0.1 -1,-0.1 0.285 43.5-159.9 154.1 53.6 76.3 96.9 33.5 13 72 A L + 0 0 33 122,-0.1 123,-1.2 1,-0.0 124,-0.5 -0.355 32.3 173.4 -54.1 105.6 79.7 95.3 33.9 14 73 A S E -A 135 0A 50 -2,-0.5 2,-0.3 121,-0.2 -2,-0.1 -0.491 25.3-144.6-111.5-177.1 81.8 98.1 32.6 15 74 A V E -A 134 0A 2 119,-0.8 119,-1.5 -2,-0.2 2,-0.5 -0.984 17.5-122.1-147.2 148.8 85.5 99.0 32.2 16 75 A E E -A 133 0A 25 -2,-0.3 2,-0.5 117,-0.2 117,-0.2 -0.817 24.7-168.0 -95.5 133.6 87.4 102.3 32.4 17 76 A L E +A 132 0A 0 115,-3.2 115,-1.4 -2,-0.5 36,-0.0 -0.928 41.4 80.6-127.2 107.5 89.4 103.1 29.3 18 77 A G S > S- 0 0 0 -2,-0.5 3,-0.6 113,-0.3 113,-0.2 -0.955 84.1 -28.1 177.9 178.6 92.0 105.9 29.6 19 78 A P T 3 S+ 0 0 0 0, 0.0 92,-0.1 0, 0.0 40,-0.0 -0.156 113.0 53.5 -48.3 136.4 95.5 106.7 30.8 20 79 A G T 3 S+ 0 0 9 33,-0.1 37,-0.0 -3,-0.0 -3,-0.0 0.390 75.7 102.6 114.5 1.2 96.6 104.5 33.7 21 80 A L X + 0 0 0 -3,-0.6 3,-1.2 2,-0.1 235,-0.0 0.872 60.1 84.4 -81.8 -40.5 95.9 101.1 32.0 22 81 A L T 3 S+ 0 0 3 1,-0.2 211,-0.2 208,-0.1 208,-0.2 -0.277 99.1 14.2 -65.0 150.2 99.5 100.2 31.1 23 82 A T T 3 S+ 0 0 77 209,-2.1 -1,-0.2 206,-1.4 210,-0.2 0.335 101.3 131.9 67.5 -7.2 101.7 98.5 33.7 24 83 A S < - 0 0 19 -3,-1.2 210,-2.2 208,-0.4 2,-0.5 -0.445 48.6-151.9 -80.0 147.1 98.4 97.9 35.6 25 84 A I E +b 234 0B 36 208,-0.2 8,-1.5 -2,-0.1 210,-0.2 -0.971 27.4 159.7-119.8 116.5 97.4 94.6 37.1 26 85 A Y E -b 235 0B 0 208,-2.7 210,-1.8 -2,-0.5 2,-0.3 -0.380 26.8-128.0-117.4-162.0 93.6 93.9 37.3 27 86 A D E > -b 236 0B 1 208,-0.2 3,-3.3 -2,-0.1 210,-0.1 -0.829 53.7 -55.4-142.1 177.9 91.3 91.0 37.7 28 87 A G T 3 S+ 0 0 0 208,-0.6 224,-0.3 1,-0.3 223,-0.1 0.617 137.8 29.6 -29.9 -32.3 88.2 89.6 36.0 29 88 A I T 3 S- 0 0 38 2,-0.1 -1,-0.3 223,-0.1 -15,-0.1 -0.082 120.3 -98.2-127.2 35.1 86.3 92.8 36.5 30 89 A Q S < S+ 0 0 13 -3,-3.3 -2,-0.1 1,-0.1 -4,-0.1 0.923 70.2 125.3 47.9 104.9 89.1 95.3 36.4 31 90 A R - 0 0 11 21,-0.1 21,-0.2 -4,-0.1 4,-0.2 -0.760 69.0 -70.2 179.4 134.2 90.4 96.6 39.8 32 91 A P - 0 0 60 0, 0.0 -6,-0.2 0, 0.0 -5,-0.0 0.078 69.5 -88.3 -33.6 135.3 94.0 96.6 41.3 33 92 A L S S+ 0 0 33 -8,-1.5 -6,-0.1 1,-0.2 -7,-0.1 -0.045 105.7 35.9 -55.4 149.3 95.1 93.1 42.2 34 93 A E S S+ 0 0 132 1,-0.2 2,-0.2 -3,-0.1 -1,-0.2 0.949 88.0 141.3 71.8 55.0 94.5 91.4 45.5 35 94 A V - 0 0 16 1,-0.3 -1,-0.2 -4,-0.2 15,-0.1 -0.736 55.4 -78.4-122.1 169.3 91.0 92.9 45.9 36 95 A I - 0 0 74 13,-0.5 2,-0.3 -2,-0.2 -1,-0.3 0.194 58.0 -95.6 -53.5-176.5 87.6 91.7 47.2 37 96 A R - 0 0 62 10,-0.1 -1,-0.1 1,-0.1 204,-0.0 -0.814 19.6-137.2-122.4 157.1 85.3 89.6 45.1 38 97 A E - 0 0 17 -2,-0.3 2,-0.3 204,-0.1 9,-0.2 -0.016 13.1-139.7 -85.6-170.9 82.3 89.7 42.6 39 98 A K B -K 46 0C 105 7,-1.2 7,-1.7 205,-0.1 2,-0.1 -0.946 21.8-179.5-154.1 136.7 79.2 87.6 42.2 40 99 A T + 0 0 32 -2,-0.3 4,-0.2 5,-0.2 2,-0.2 0.002 10.0 164.2-116.8-139.6 77.7 86.4 38.9 41 100 A G - 0 0 20 2,-0.1 2,-1.5 -2,-0.1 240,-0.1 -0.429 60.1 -78.7 130.8 154.9 74.7 84.4 37.6 42 101 A D S S+ 0 0 113 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 -0.059 126.5 40.8 -74.5 38.8 72.9 83.9 34.3 43 102 A F S S- 0 0 118 -2,-1.5 -33,-0.7 1,-0.5 2,-0.2 0.437 118.9 -37.8-145.5 -64.1 71.3 87.3 35.0 44 103 A I - 0 0 52 -4,-0.2 -1,-0.5 -35,-0.2 2,-0.3 -0.549 53.3-137.3-149.1-148.0 73.3 90.1 36.5 45 104 A A - 0 0 22 -2,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.985 2.3-142.3-176.4 170.7 76.1 90.6 39.1 46 105 A R B -K 39 0C 153 -7,-1.7 -7,-1.2 -2,-0.3 2,-0.2 -0.895 11.5-172.6-142.1 171.6 77.6 92.6 42.0 47 106 A G - 0 0 24 -2,-0.3 -10,-0.1 -9,-0.2 -9,-0.1 -0.521 13.2-139.0-142.2-151.8 81.0 93.8 43.4 48 107 A V - 0 0 45 -2,-0.2 2,-0.3 -12,-0.1 -1,-0.1 0.054 50.2 -30.3-144.2-103.5 82.8 95.5 46.4 49 108 A T + 0 0 80 -48,-0.1 -13,-0.5 -47,-0.1 -18,-0.0 -0.998 69.0 84.7-144.6 143.6 85.5 98.1 46.6 50 109 A A - 0 0 49 -2,-0.3 -2,-0.1 -15,-0.1 -15,-0.0 -0.183 54.1-115.7 137.1 132.0 88.6 99.4 44.6 51 110 A P - 0 0 88 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.369 10.4-151.9 -66.0-156.9 89.3 101.9 41.7 52 111 A A S S+ 0 0 8 1,-0.5 -21,-0.1 -21,-0.2 -22,-0.0 0.334 77.8 36.6-147.1 -55.5 90.6 101.2 38.2 53 112 A L S S- 0 0 1 -21,-0.0 -1,-0.5 -29,-0.0 -33,-0.1 -0.933 95.7-101.4-111.3 132.5 92.4 104.3 36.9 54 113 A P - 0 0 50 0, 0.0 57,-0.6 0, 0.0 -1,-0.0 -0.282 25.7-163.9 -54.4 128.1 94.4 106.5 39.3 55 114 A R S S+ 0 0 73 1,-0.1 57,-0.2 55,-0.1 55,-0.0 0.647 89.8 44.4 -88.3 -16.0 92.4 109.6 40.3 56 115 A D S S+ 0 0 135 54,-0.1 -1,-0.1 55,-0.1 0, 0.0 0.775 85.3 104.2 -96.4 -34.9 95.6 111.3 41.7 57 116 A K - 0 0 85 1,-0.1 2,-0.5 53,-0.0 54,-0.4 -0.200 65.6-138.4 -51.3 135.9 98.1 110.5 38.9 58 117 A K - 0 0 135 52,-0.1 2,-0.4 50,-0.1 52,-0.2 -0.892 17.0-163.2-104.9 128.2 98.7 113.5 36.7 59 118 A W E -L 109 0D 11 50,-2.4 50,-1.9 -2,-0.5 2,-0.9 -0.871 23.1-121.5-112.3 141.5 99.0 113.0 32.9 60 119 A H E -L 108 0D 66 -2,-0.4 2,-0.5 21,-0.3 48,-0.2 -0.703 32.5-159.8 -82.3 107.2 100.4 115.4 30.3 61 120 A F E -L 107 0D 0 46,-2.0 46,-1.4 -2,-0.9 19,-0.2 -0.772 5.4-162.9 -92.5 127.9 97.6 116.1 27.9 62 121 A I E -M 79 0E 40 17,-2.6 17,-1.9 -2,-0.5 43,-0.1 -0.938 20.1-127.2-114.2 115.4 98.4 117.4 24.5 63 122 A P E +M 78 0E 41 0, 0.0 15,-0.3 0, 0.0 3,-0.1 -0.311 29.2 173.0 -59.8 136.4 95.6 119.1 22.5 64 123 A K + 0 0 111 13,-3.2 2,-0.3 1,-0.1 14,-0.2 0.021 63.4 53.7-133.0 24.1 95.1 117.7 19.0 65 124 A A - 0 0 20 12,-0.4 2,-0.3 4,-0.0 -1,-0.1 -0.971 69.1-140.4-158.5 143.3 92.0 119.6 18.1 66 125 A K > - 0 0 148 -2,-0.3 3,-2.2 1,-0.1 34,-0.2 -0.742 38.2 -85.4-108.5 156.5 90.9 123.2 18.1 67 126 A V T 3 S+ 0 0 87 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 -0.363 116.5 35.1 -59.1 130.4 87.6 124.8 19.1 68 127 A G T 3 S+ 0 0 36 32,-3.0 -1,-0.3 1,-0.4 33,-0.1 0.141 84.2 132.8 109.4 -18.0 85.2 124.7 16.1 69 128 A D < - 0 0 51 -3,-2.2 31,-2.8 31,-0.2 -1,-0.4 -0.392 54.9-131.2 -67.2 141.0 86.4 121.4 14.8 70 129 A K E -O 99 0F 177 29,-0.2 2,-0.3 -3,-0.1 29,-0.2 -0.787 33.4-177.6 -92.1 138.1 83.7 118.9 14.0 71 130 A V E -O 98 0F 9 27,-2.7 27,-1.8 -2,-0.4 2,-0.3 -0.889 17.0-161.9-135.7 165.9 84.3 115.4 15.5 72 131 A V > - 0 0 46 -2,-0.3 3,-2.6 25,-0.2 20,-0.4 -0.905 48.4 -62.7-139.5 165.2 82.8 111.9 15.6 73 132 A G T 3 S+ 0 0 11 -2,-0.3 231,-0.2 1,-0.3 3,-0.1 -0.269 124.0 25.2 -53.9 128.5 83.1 108.9 17.8 74 133 A G T 3 S+ 0 0 7 18,-2.9 -1,-0.3 1,-0.4 228,-0.0 0.166 86.2 139.1 101.7 -17.2 86.7 107.6 17.7 75 134 A D < - 0 0 15 -3,-2.6 17,-2.4 18,-0.1 2,-0.7 -0.316 55.0-124.1 -61.5 146.0 88.2 111.0 16.7 76 135 A I E + N 0 91E 41 15,-0.2 15,-0.2 1,-0.1 -1,-0.1 -0.847 36.1 167.3 -97.3 115.3 91.4 111.8 18.4 77 136 A I E + 0 0 2 13,-2.3 -13,-3.2 -2,-0.7 -12,-0.4 0.600 63.1 3.4-103.2 -13.9 91.3 115.1 20.3 78 137 A G E -MN 63 90E 0 12,-1.1 12,-2.4 -15,-0.3 2,-0.3 -0.973 58.2-129.6-161.1 173.2 94.5 114.7 22.4 79 138 A E E -MN 62 89E 42 -17,-1.9 -17,-2.6 -2,-0.3 10,-0.2 -0.992 12.9-170.1-135.0 141.9 97.6 112.7 23.3 80 139 A V E - N 0 88E 0 8,-2.6 8,-3.2 -2,-0.3 2,-1.7 -0.957 23.5-135.9-136.3 116.8 99.0 111.6 26.6 81 140 A P E + N 0 87E 67 0, 0.0 -21,-0.3 0, 0.0 6,-0.2 -0.521 31.1 172.3 -70.9 90.1 102.5 110.0 27.1 82 141 A E - 0 0 14 -2,-1.7 2,-0.3 4,-0.8 5,-0.2 0.785 66.5 -6.7 -70.5 -31.5 101.4 107.2 29.5 83 142 A T S S- 0 0 26 3,-1.3 5,-0.1 -3,-0.1 -1,-0.1 -0.892 82.6 -93.2-152.0 175.0 104.8 105.5 29.5 84 143 A S S S+ 0 0 71 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 0.544 124.4 41.2 -76.6 -2.4 108.1 106.0 27.6 85 144 A I S S+ 0 0 38 145,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.831 110.3 49.4-104.7 -54.4 106.9 103.4 25.1 86 145 A I - 0 0 5 144,-0.6 -3,-1.3 -5,-0.0 -4,-0.8 -0.789 59.7-153.3-101.2 130.6 103.2 104.0 24.4 87 146 A V E -N 81 0E 53 -2,-0.4 2,-0.4 -6,-0.2 -3,-0.0 -0.871 25.7-134.8 -95.7 123.3 101.5 107.3 23.6 88 147 A H E -N 80 0E 0 -8,-3.2 -8,-2.6 -2,-0.6 2,-0.6 -0.665 12.6-143.7 -83.1 133.1 97.9 107.2 24.7 89 148 A K E -N 79 0E 44 -2,-0.4 2,-0.6 -10,-0.2 -10,-0.2 -0.868 7.4-145.4 -99.7 121.6 95.3 108.4 22.2 90 149 A I E -N 78 0E 2 -12,-2.4 -13,-2.3 -2,-0.6 -12,-1.1 -0.765 24.9-171.9 -89.6 120.5 92.3 110.3 23.6 91 150 A M E -N 76 0E 8 -2,-0.6 -15,-0.2 -15,-0.2 -16,-0.1 -0.827 32.8-105.7-118.5 151.7 89.2 109.7 21.6 92 151 A V - 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0 0 183 -6,-0.3 2,-0.2 -4,-0.2 -1,-0.2 0.138 58.2 -22.7 70.1 -20.8 132.7 63.7 -10.6 513 587 A G 0 0 12 -2,-0.2 -1,-0.1 -45,-0.1 -45,-0.1 -0.749 360.0 360.0-174.1-137.5 132.3 61.6 -7.5 514 588 A A 0 0 112 -2,-0.2 -2,-0.1 -3,-0.0 -6,-0.0 -0.568 360.0 360.0-109.7 360.0 134.1 60.0 -4.5