==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-OCT-11 4A4J . COMPND 2 MOLECULE: CATION-TRANSPORTING ATPASE PACS; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS; . AUTHOR A.BADARAU,A.BASLE,S.J.FIRBANK,C.DENNINSON . 69 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.9 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 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A A 0 0 103 0, 0.0 2,-0.3 0, 0.0 46,-0.2 0.000 360.0 360.0 360.0 148.6 7.7 -7.9 11.7 2 3 A Q E -A 46 0A 110 44,-2.8 44,-2.7 2,-0.0 2,-0.3 -0.791 360.0-152.6-107.2 157.1 4.1 -7.0 11.1 3 4 A T E +A 45 0A 89 -2,-0.3 2,-0.3 42,-0.2 42,-0.2 -0.957 14.4 178.8-132.1 149.2 3.2 -4.3 8.6 4 5 A I E -A 44 0A 30 40,-1.9 40,-3.1 -2,-0.3 2,-0.4 -0.989 18.9-138.4-147.9 147.6 0.3 -1.9 8.2 5 6 A N E -A 43 0A 32 64,-0.4 64,-2.0 -2,-0.3 2,-0.4 -0.884 16.4-165.1-103.2 137.5 -0.7 0.8 5.7 6 7 A L E -AB 42 68A 0 36,-2.5 36,-2.3 -2,-0.4 2,-0.5 -0.948 16.3-136.5-117.0 139.8 -2.1 4.1 6.8 7 8 A Q E -AB 41 67A 66 60,-2.7 60,-2.0 -2,-0.4 2,-0.4 -0.846 29.0-145.5 -90.7 135.4 -3.9 6.7 4.6 8 9 A L E - B 0 66A 4 32,-2.7 2,-0.4 -2,-0.5 58,-0.2 -0.821 15.1-166.3-111.9 139.4 -2.7 10.2 5.5 9 10 A E E S+ B 0 65A 97 56,-3.0 56,-1.7 -2,-0.4 3,-0.1 -0.959 73.1 28.0-121.2 140.2 -4.5 13.5 5.5 10 11 A G S S+ 0 0 49 -2,-0.4 2,-1.8 54,-0.2 3,-0.2 0.401 74.0 130.4 94.9 0.7 -2.8 16.9 5.7 11 12 A M + 0 0 3 1,-0.2 -1,-0.1 54,-0.1 29,-0.1 -0.571 19.1 151.5 -88.7 79.3 0.4 15.8 4.0 12 13 A D + 0 0 121 -2,-1.8 2,-0.3 -3,-0.1 -1,-0.2 0.629 60.5 20.8 -84.7 -15.5 0.6 18.7 1.5 13 14 A C S > S- 0 0 40 -3,-0.2 4,-1.9 1,-0.0 5,-0.1 -0.919 82.4-101.4-149.3 169.0 4.4 18.8 1.1 14 15 A T H > S+ 0 0 100 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.784 117.8 60.4 -75.4 -24.7 7.5 16.8 1.5 15 16 A S H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 108.0 45.4 -60.5 -46.5 8.4 18.6 4.8 16 17 A C H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 107.4 58.1 -67.1 -34.4 5.1 17.3 6.2 17 18 A A H X S+ 0 0 12 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.927 109.3 45.5 -56.7 -46.9 5.8 13.9 4.8 18 19 A S H X S+ 0 0 41 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.896 108.0 56.9 -64.2 -40.2 9.0 13.9 6.9 19 20 A S H X S+ 0 0 45 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.893 108.1 47.9 -55.0 -41.4 7.2 15.2 9.9 20 21 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.928 110.9 49.8 -69.2 -44.1 4.9 12.2 9.7 21 22 A E H X S+ 0 0 74 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.919 111.3 50.1 -56.7 -45.8 7.8 9.7 9.3 22 23 A R H X S+ 0 0 155 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.894 111.1 48.3 -62.3 -39.1 9.5 11.3 12.3 23 24 A A H < S+ 0 0 18 -4,-1.9 3,-0.4 -5,-0.2 4,-0.3 0.915 114.2 45.6 -68.1 -44.5 6.3 11.1 14.5 24 25 A I H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.901 105.9 59.8 -66.3 -40.3 5.7 7.4 13.6 25 26 A A H 3< S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 98.9 60.6 -59.3 -29.2 9.4 6.5 14.1 26 27 A K T 3< S+ 0 0 174 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.571 79.4 106.2 -73.1 -12.4 9.0 7.6 17.8 27 28 A V S X S- 0 0 12 -3,-1.9 3,-2.2 -4,-0.3 23,-0.1 -0.566 84.1-108.8 -73.8 125.5 6.3 5.1 18.5 28 29 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.340 104.5 24.6 -52.7 130.0 7.6 2.2 20.6 29 30 A G T 3 S+ 0 0 20 1,-0.3 18,-2.1 20,-0.1 2,-0.3 0.148 85.7 128.9 98.9 -12.9 7.8 -0.9 18.4 30 31 A V E < +C 46 0A 23 -3,-2.2 -1,-0.3 16,-0.2 16,-0.3 -0.584 27.0 174.7 -75.6 131.0 8.1 0.8 15.1 31 32 A Q E - 0 0 106 14,-2.9 2,-0.3 1,-0.4 15,-0.2 0.778 66.4 -2.0 -99.7 -39.9 11.1 -0.5 13.0 32 33 A S E -C 45 0A 65 13,-1.7 13,-2.8 -8,-0.0 -1,-0.4 -0.990 53.1-164.8-154.5 150.2 10.6 1.3 9.8 33 34 A C E -C 44 0A 18 -2,-0.3 2,-0.7 11,-0.2 11,-0.2 -0.937 4.9-166.6-141.8 112.7 8.1 3.8 8.2 34 35 A Q E -C 43 0A 100 9,-2.9 9,-2.6 -2,-0.4 2,-0.6 -0.908 10.1-158.9-104.6 109.8 8.0 4.4 4.5 35 36 A V E -C 42 0A 29 -2,-0.7 2,-0.8 7,-0.2 7,-0.2 -0.791 2.7-156.1 -90.5 123.6 6.0 7.5 3.7 36 37 A N E >> -C 41 0A 51 5,-3.3 5,-1.8 -2,-0.6 4,-0.9 -0.882 7.6-172.1-100.7 105.0 4.7 7.6 0.1 37 38 A F T >45S+ 0 0 87 -2,-0.8 3,-0.6 2,-0.2 -1,-0.2 0.934 81.7 49.9 -64.5 -49.1 4.1 11.3 -0.6 38 39 A A T 345S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.868 118.5 38.7 -58.0 -41.0 2.4 10.7 -4.1 39 40 A L T 345S- 0 0 97 2,-0.2 -1,-0.2 -32,-0.0 -2,-0.2 0.540 101.5-130.2 -93.7 -3.5 0.0 8.2 -2.7 40 41 A E T <<5 + 0 0 94 -4,-0.9 -32,-2.7 -3,-0.6 2,-0.3 0.915 68.1 120.1 54.5 49.8 -0.6 9.9 0.7 41 42 A Q E < -AC 7 36A 67 -5,-1.8 -5,-3.3 -34,-0.2 2,-0.4 -0.947 52.1-149.6-140.6 152.2 0.1 6.6 2.4 42 43 A A E -AC 6 35A 0 -36,-2.3 -36,-2.5 -2,-0.3 2,-0.6 -0.999 5.5-154.4-126.1 134.9 2.6 5.2 5.0 43 44 A V E -AC 5 34A 62 -9,-2.6 -9,-2.9 -2,-0.4 2,-0.5 -0.936 20.0-167.5-103.8 116.3 3.8 1.6 5.2 44 45 A V E -AC 4 33A 0 -40,-3.1 -40,-1.9 -2,-0.6 2,-0.5 -0.928 12.0-161.9-117.1 124.5 4.8 0.9 8.8 45 46 A S E +AC 3 32A 21 -13,-2.8 -14,-2.9 -2,-0.5 -13,-1.7 -0.904 29.9 155.3-101.9 131.3 6.8 -2.2 9.9 46 47 A Y E +AC 2 30A 15 -44,-2.7 -44,-2.8 -2,-0.5 -16,-0.2 -0.902 25.9 175.6-150.3 169.7 6.6 -2.9 13.6 47 48 A H > + 0 0 98 -18,-2.1 3,-1.5 -2,-0.3 -16,-0.0 -0.743 54.4 51.9-151.1-158.8 6.7 -5.3 16.5 48 49 A G T 3 S- 0 0 54 1,-0.2 -19,-0.1 -2,-0.2 -2,-0.1 -0.285 119.5 -23.0 64.5-136.0 6.5 -5.0 20.3 49 50 A E T 3 S+ 0 0 166 2,-0.0 -1,-0.2 0, 0.0 -20,-0.1 0.371 94.7 130.3 -95.6 3.2 3.4 -3.2 21.6 50 51 A T < - 0 0 8 -3,-1.5 -21,-0.1 -23,-0.1 -4,-0.1 -0.305 32.0-178.2 -60.1 138.7 2.6 -1.1 18.5 51 52 A T > - 0 0 57 1,-0.1 4,-2.1 0, 0.0 3,-0.3 -0.926 40.9-109.7-128.9 159.4 -1.0 -1.2 17.3 52 53 A P H > S+ 0 0 39 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.891 120.1 52.4 -52.9 -38.8 -2.6 0.4 14.3 53 54 A Q H > S+ 0 0 156 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.849 104.9 52.3 -73.5 -31.0 -4.4 2.7 16.6 54 55 A I H > S+ 0 0 77 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.900 110.7 51.9 -65.6 -37.8 -1.3 3.9 18.5 55 56 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.936 108.8 47.3 -64.1 -45.9 0.1 4.7 15.0 56 57 A T H X S+ 0 0 25 -4,-2.3 4,-2.2 1,-0.2 10,-0.2 0.898 110.0 54.9 -69.2 -30.8 -2.8 6.8 13.9 57 58 A D H X S+ 0 0 68 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.904 103.6 54.8 -63.3 -38.8 -2.6 8.6 17.3 58 59 A A H X S+ 0 0 14 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.917 109.1 48.4 -58.3 -43.3 1.0 9.4 16.6 59 60 A V H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 4,-0.3 0.923 112.1 48.8 -66.1 -40.2 -0.1 11.0 13.4 60 61 A E H ><5S+ 0 0 96 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.925 108.8 52.1 -60.5 -47.9 -2.9 13.0 15.1 61 62 A R H 3<5S+ 0 0 199 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.781 104.9 57.6 -62.5 -27.1 -0.5 14.2 17.8 62 63 A A T 3<5S- 0 0 40 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.482 127.4 -98.6 -82.3 -5.3 1.9 15.5 15.1 63 64 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.601 93.3 88.5 99.7 17.4 -0.9 17.6 13.7 64 65 A Y < - 0 0 41 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.441 67.8-119.4-122.4-163.8 -2.2 15.4 10.8 65 66 A H E -B 9 0A 80 -56,-1.7 -56,-3.0 -2,-0.2 2,-0.3 -0.994 22.8-174.6-146.2 143.5 -4.8 12.6 10.5 66 67 A A E -B 8 0A 6 -2,-0.3 2,-0.4 -10,-0.2 -58,-0.2 -0.932 9.0-156.2-131.2 157.9 -4.5 9.0 9.5 67 68 A R E -B 7 0A 127 -60,-2.0 -60,-2.7 -2,-0.3 2,-0.4 -0.990 25.9-114.4-137.0 147.7 -6.8 6.1 8.9 68 69 A V E B 6 0A 62 -2,-0.4 -62,-0.2 -62,-0.2 -15,-0.0 -0.639 360.0 360.0 -83.3 127.0 -6.2 2.5 9.1 69 70 A L 0 0 89 -64,-2.0 -64,-0.4 -2,-0.4 -1,-0.0 -0.741 360.0 360.0-100.3 360.0 -6.5 0.7 5.8