==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-06 2GCF . COMPND 2 MOLECULE: CATION-TRANSPORTING ATPASE PACS; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,N.G.KANDIAS,G.A.SPYROULIAS . 73 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 63.0 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 . 17 23.3 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 . 1 1.4 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 . 6 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 0 0 0 0 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 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 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 1 A M 0 0 150 0, 0.0 2,-0.8 0, 0.0 47,-0.5 0.000 360.0 360.0 360.0-179.4 -9.6 -11.1 -8.0 2 2 A A + 0 0 79 45,-0.1 2,-0.2 44,-0.1 29,-0.1 -0.601 360.0 143.0 -61.2 104.3 -5.9 -12.0 -7.5 3 3 A Q - 0 0 76 -2,-0.8 2,-0.6 45,-0.1 44,-0.5 -0.755 35.2-156.7-155.7 90.5 -4.5 -8.9 -9.3 4 4 A T E -A 46 0A 71 -2,-0.2 2,-0.4 42,-0.2 42,-0.3 -0.700 2.7-152.7 -93.4 120.9 -1.3 -7.5 -7.6 5 5 A I E -A 45 0A 62 40,-2.7 40,-2.9 -2,-0.6 2,-0.4 -0.769 7.8-166.0 -84.0 129.5 -0.3 -3.9 -8.1 6 6 A N E +A 44 0A 96 -2,-0.4 64,-0.4 38,-0.3 2,-0.3 -0.991 29.0 139.0-118.0 126.3 3.4 -3.2 -7.9 7 7 A L E -A 43 0A 17 36,-2.6 36,-2.7 -2,-0.4 2,-0.3 -0.926 50.0 -88.7-158.3 168.6 4.3 0.5 -7.5 8 8 A Q E -AB 42 68A 48 60,-2.5 60,-2.7 -2,-0.3 2,-0.6 -0.749 31.1-136.8-100.6 148.9 6.5 3.2 -5.8 9 9 A L E - B 0 67A 6 32,-2.5 3,-0.5 -2,-0.3 58,-0.2 -0.908 22.9-150.1-123.5 104.9 5.5 4.8 -2.5 10 10 A E E + B 0 66A 79 56,-3.1 56,-2.3 -2,-0.6 3,-0.1 -0.460 69.0 18.7 -99.5 143.8 6.1 8.5 -2.4 11 11 A G S S+ 0 0 45 1,-0.3 -1,-0.2 54,-0.2 54,-0.1 0.139 82.9 151.0 82.8 -16.1 6.9 10.9 0.5 12 12 A M + 0 0 24 -3,-0.5 -1,-0.3 54,-0.2 52,-0.0 -0.108 7.7 124.5 -46.3 135.4 8.1 7.8 2.5 13 13 A R + 0 0 188 1,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.391 59.9 4.3-169.3 -23.6 10.9 8.7 5.1 14 14 A C S S+ 0 0 91 0, 0.0 -1,-0.4 0, 0.0 3,-0.3 -0.974 78.3 32.4-162.6 176.2 10.1 7.7 8.8 15 15 A A S > S- 0 0 68 -2,-0.3 3,-0.7 1,-0.2 -2,-0.1 0.162 96.3 -52.7 64.8-172.9 8.0 6.1 11.6 16 16 A A T 3> S+ 0 0 79 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.553 103.1 109.4 -69.5 -8.4 5.7 3.1 11.6 17 17 A C T 34 + 0 0 40 -3,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.543 69.2 59.3 -51.5 -16.9 3.9 4.7 8.6 18 18 A A T X> S+ 0 0 4 -3,-0.7 3,-2.4 2,-0.1 4,-0.6 0.950 114.8 25.8 -73.9 -79.4 5.3 2.0 6.1 19 19 A S H 3> S+ 0 0 64 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.750 108.3 75.7 -66.1 -17.4 4.1 -1.4 7.4 20 20 A S H 3< S+ 0 0 45 -4,-2.0 4,-0.5 2,-0.2 -1,-0.3 0.712 93.2 56.7 -63.0 -16.7 1.1 0.3 9.1 21 21 A I H X> S+ 0 0 7 -3,-2.4 4,-2.9 -5,-0.2 3,-1.2 0.971 109.0 42.5 -66.8 -62.3 -0.2 0.5 5.4 22 22 A E H 3X S+ 0 0 36 -4,-0.6 4,-2.1 1,-0.3 -2,-0.2 0.883 114.2 51.7 -53.5 -45.9 0.1 -3.4 5.0 23 23 A R H 3< S+ 0 0 196 -4,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.682 113.7 44.3 -69.8 -22.0 -1.4 -3.9 8.5 24 24 A A H X4 S+ 0 0 31 -3,-1.2 3,-1.9 -4,-0.5 -2,-0.2 0.877 110.4 53.5 -82.2 -43.2 -4.4 -1.7 7.6 25 25 A I H >< S+ 0 0 2 -4,-2.9 3,-3.0 1,-0.3 6,-0.2 0.814 88.9 81.0 -62.5 -28.3 -4.8 -3.2 4.1 26 26 A A T 3< S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.560 88.5 56.1 -51.4 -12.7 -5.0 -6.6 5.9 27 27 A K T < S+ 0 0 170 -3,-1.9 -1,-0.3 3,-0.0 -2,-0.2 0.501 80.3 106.0 -95.1 -10.5 -8.7 -5.6 6.6 28 28 A V S X S- 0 0 20 -3,-3.0 3,-2.1 -4,-0.2 20,-0.1 -0.603 74.1-134.2 -71.6 129.4 -9.6 -5.1 2.8 29 29 A P T 3 S+ 0 0 123 0, 0.0 19,-0.1 0, 0.0 -1,-0.1 0.748 103.7 52.3 -64.7 -23.0 -11.7 -8.1 1.7 30 30 A G T 3 S+ 0 0 10 17,-0.3 18,-1.4 21,-0.1 2,-0.2 0.324 77.8 128.4 -90.1 3.0 -9.7 -8.5 -1.5 31 31 A V E < +C 47 0A 49 -3,-2.1 16,-0.3 16,-0.4 3,-0.1 -0.453 14.9 150.9 -62.1 125.6 -6.3 -8.7 0.3 32 32 A Q E + 0 0 95 14,-2.7 2,-0.2 1,-0.3 -1,-0.2 0.437 68.9 2.5-134.1 -11.0 -4.3 -11.8 -0.8 33 33 A S E -C 46 0A 58 13,-1.1 13,-1.7 2,-0.0 2,-0.4 -0.690 58.2-172.7-174.0 131.4 -0.6 -10.6 -0.4 34 34 A C E +C 45 0A 30 11,-0.2 2,-0.3 -2,-0.2 11,-0.2 -0.978 11.3 161.7-123.1 138.0 1.1 -7.4 0.9 35 35 A Q E -C 44 0A 115 9,-1.9 9,-3.0 -2,-0.4 2,-0.3 -0.888 9.4-176.3-151.1 132.8 4.9 -6.5 0.8 36 36 A V E -C 43 0A 36 -2,-0.3 2,-0.6 7,-0.3 7,-0.2 -0.957 17.4-147.0-123.0 143.5 6.5 -3.0 1.2 37 37 A N >> - 0 0 53 5,-2.9 2,-1.7 -2,-0.3 4,-1.1 -0.834 7.2-167.4-114.6 92.2 10.3 -2.2 0.9 38 38 A F T 34 S+ 0 0 93 -2,-0.6 -20,-0.1 1,-0.2 -1,-0.1 -0.146 87.5 42.2 -77.1 41.7 11.1 0.7 3.3 39 39 A A T 34 S+ 0 0 89 -2,-1.7 -1,-0.2 3,-0.1 -2,-0.0 0.309 120.1 36.0-151.8 -30.8 14.5 1.2 1.7 40 40 A L T <4 S- 0 0 107 -3,-0.8 -2,-0.2 2,-0.2 -3,-0.0 0.113 102.3-122.8-121.0 16.0 13.8 0.9 -2.2 41 41 A E < + 0 0 43 -4,-1.1 -32,-2.5 1,-0.2 2,-0.2 0.315 63.7 129.5 70.7 -7.4 10.3 2.6 -2.1 42 42 A Q E -A 8 0A 63 -5,-0.3 -5,-2.9 -34,-0.2 2,-0.3 -0.523 34.7-171.1 -76.5 152.4 8.2 -0.2 -3.6 43 43 A A E -AC 7 36A 8 -36,-2.7 -36,-2.6 -7,-0.2 2,-0.4 -0.958 2.9-167.0-117.8 153.9 5.0 -1.8 -2.5 44 44 A V E +AC 6 35A 46 -9,-3.0 -9,-1.9 -2,-0.3 2,-0.3 -0.983 21.8 155.7-129.1 125.3 3.4 -4.9 -4.0 45 45 A V E -AC 5 34A 5 -40,-2.9 -40,-2.7 -2,-0.4 2,-0.6 -0.946 35.1-159.7-148.7 132.3 -0.2 -5.7 -3.1 46 46 A S E +AC 4 33A 0 -13,-1.7 -14,-2.7 -42,-0.3 -13,-1.1 -0.969 34.5 149.8-102.1 122.9 -3.2 -7.6 -4.4 47 47 A Y E + C 0 31A 5 -2,-0.6 -16,-0.4 -44,-0.5 2,-0.4 -0.342 25.9 114.9-151.6 43.7 -6.1 -6.1 -2.5 48 48 A H + 0 0 1 -18,-1.4 4,-0.2 -47,-0.5 -45,-0.1 -0.990 31.3 175.2-137.4 120.9 -9.2 -6.4 -4.8 49 49 A G S S- 0 0 19 2,-0.9 -1,-0.1 -2,-0.4 3,-0.0 0.669 79.6 -14.6 -89.9-117.9 -12.4 -8.5 -4.2 50 50 A E S S- 0 0 155 -49,-0.0 2,-0.2 1,-0.0 -2,-0.0 0.789 140.1 -4.5 -46.1 -37.2 -15.4 -8.3 -6.5 51 51 A T S S- 0 0 84 -50,-0.0 -2,-0.9 0, 0.0 -21,-0.1 -0.830 80.9 -88.2-149.5-178.5 -13.6 -5.1 -7.9 52 52 A T - 0 0 60 -2,-0.2 2,-0.2 -4,-0.2 -4,-0.1 -0.944 45.9-162.6-100.7 110.8 -10.7 -2.6 -7.5 53 53 A P > - 0 0 35 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.620 34.0-115.9 -90.7 157.8 -11.7 0.2 -5.0 54 54 A Q T >> S+ 0 0 170 1,-0.3 3,-2.3 -2,-0.2 4,-1.9 0.702 106.0 88.1 -60.4 -16.0 -10.1 3.7 -4.5 55 55 A I H 3> S+ 0 0 89 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.749 70.5 74.7 -53.6 -23.3 -9.3 2.2 -1.0 56 56 A L H <4 S+ 0 0 34 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.823 108.6 29.4 -53.9 -36.3 -6.1 0.9 -2.9 57 57 A T H X> S+ 0 0 44 -3,-2.3 3,-2.9 -4,-0.2 4,-1.8 0.861 112.0 63.7 -91.6 -48.6 -4.9 4.6 -2.7 58 58 A D H 3X S+ 0 0 103 -4,-1.9 4,-2.4 1,-0.3 -2,-0.2 0.866 96.2 61.4 -46.6 -42.6 -6.7 5.7 0.6 59 59 A A H 3< S+ 0 0 9 -4,-1.9 -1,-0.3 1,-0.2 -34,-0.2 0.500 108.5 42.2 -70.9 -3.9 -4.6 3.1 2.5 60 60 A V H X4>S+ 0 0 6 -3,-2.9 3,-2.0 -5,-0.1 5,-1.4 0.707 108.4 58.4 -97.4 -37.1 -1.3 4.9 1.4 61 61 A E H ><5S+ 0 0 82 -4,-1.8 3,-2.6 1,-0.3 -2,-0.2 0.920 94.8 66.9 -59.7 -41.4 -2.8 8.5 2.0 62 62 A R T 3<5S+ 0 0 114 -4,-2.4 -1,-0.3 1,-0.3 -3,-0.1 0.464 99.5 52.5 -47.3 -18.0 -3.4 7.4 5.7 63 63 A A T < 5S- 0 0 13 -3,-2.0 -1,-0.3 2,-0.3 -2,-0.2 0.496 119.2-106.7 -97.6 -11.4 0.4 7.3 6.1 64 64 A G T < 5S+ 0 0 65 -3,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.448 89.2 115.3 87.0 7.1 1.1 10.8 4.8 65 65 A Y < - 0 0 22 -5,-1.4 -1,-0.3 -48,-0.1 -2,-0.3 -0.750 57.2-137.0-118.7 154.0 2.4 9.0 1.6 66 66 A H E -B 10 0A 91 -56,-2.3 -56,-3.1 -2,-0.3 2,-0.4 -0.807 14.9-121.4-113.3 151.6 1.4 8.9 -2.1 67 67 A A E +B 9 0A 35 -2,-0.3 2,-0.3 -58,-0.2 -58,-0.2 -0.769 36.7 166.4 -87.9 132.4 1.0 6.1 -4.6 68 68 A R E -B 8 0A 76 -60,-2.7 -60,-2.5 -2,-0.4 2,-0.3 -0.985 37.1-101.0-138.4 156.9 3.0 6.3 -7.9 69 69 A V - 0 0 117 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.549 23.2-143.5 -72.3 133.8 4.0 4.0 -10.8 70 70 A L + 0 0 61 -64,-0.4 2,-0.3 -2,-0.3 -64,-0.1 -0.806 44.7 152.8 -86.3 136.4 7.4 2.4 -10.9 71 71 A K + 0 0 139 -2,-0.4 2,-0.1 2,-0.0 -64,-0.0 -0.948 36.1 129.0-168.4 145.5 8.4 2.3 -14.6 72 72 A Q 0 0 165 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.222 360.0 360.0-141.8 -96.4 10.8 2.3 -17.6 73 73 A Q 0 0 200 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.919 360.0 360.0 131.1 360.0 9.7 -0.7 -19.7