==== 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 ELECTRON TRANSPORT 17-JUN-97 1PCS . COMPND 2 MOLECULE: PLASTOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR A.ROMERO,B.DE LA CERDA,P.F.VARELA,J.A.NAVARRO,M.HERVAS,M.A.D . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 23.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 13 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 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 1 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 PARALLEL BRIDGES PER LADDER . 0 3 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 84 0, 0.0 23,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 167.7 5.0 5.1 46.4 2 -1 A N - 0 0 103 21,-0.1 2,-0.3 1,-0.1 27,-0.2 -0.394 360.0-142.9 -62.7 143.5 6.9 7.2 48.9 3 1 A A E -a 29 0A 19 25,-1.8 27,-2.6 18,-0.0 2,-0.4 -0.859 14.0-155.4-117.3 150.5 10.6 7.3 47.9 4 2 A T E -a 30 0A 86 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.981 12.3-167.0-121.7 130.2 13.8 7.3 49.9 5 3 A V E -a 31 0A 0 25,-2.7 27,-2.6 -2,-0.4 2,-0.4 -0.990 14.1-138.6-122.1 127.9 16.9 8.8 48.3 6 4 A K E -aB 32 17A 71 11,-3.1 11,-2.5 -2,-0.4 2,-0.8 -0.704 10.6-141.5 -84.0 135.6 20.4 8.3 49.7 7 5 A M E S+aB 33 16A 0 25,-2.7 27,-2.4 -2,-0.4 28,-1.3 -0.886 85.4 15.8 -98.5 107.3 22.7 11.3 49.7 8 6 A G S S- 0 0 0 7,-2.7 27,-0.2 -2,-0.8 6,-0.2 0.494 98.0-104.6 95.3 118.7 26.1 9.9 48.7 9 7 A S > - 0 0 4 4,-2.2 3,-1.8 1,-0.1 4,-0.1 -0.298 17.2-118.0 -74.8 160.5 26.0 6.4 47.3 10 8 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.825 117.7 61.5 -63.1 -31.7 27.1 3.1 49.0 11 9 A S T 3 S- 0 0 111 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.426 124.1-107.2 -75.0 2.3 29.8 2.9 46.4 12 10 A G S < S+ 0 0 37 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.902 70.5 140.0 74.5 44.4 31.2 6.1 47.7 13 11 A A - 0 0 38 2,-0.1 2,-2.3 -4,-0.1 -4,-2.2 -0.892 62.7-113.2-119.4 147.7 30.2 8.6 45.0 14 12 A L S S+ 0 0 45 -2,-0.3 2,-0.3 -6,-0.2 22,-0.1 -0.515 78.1 112.2 -77.7 75.3 28.9 12.2 45.3 15 13 A V S S- 0 0 52 -2,-2.3 -7,-2.7 76,-0.1 2,-0.5 -0.938 72.6-112.3-144.7 162.6 25.5 11.3 43.9 16 14 A F E -B 7 0A 1 76,-0.5 -9,-0.2 -2,-0.3 76,-0.1 -0.880 44.4-126.1 -95.2 127.1 21.8 11.0 44.8 17 15 A E E S+B 6 0A 88 -11,-2.5 -11,-3.1 -2,-0.5 2,-0.1 -0.957 100.7 24.1-126.0 114.7 20.9 7.3 44.7 18 16 A P S S- 0 0 48 0, 0.0 -1,-0.4 0, 0.0 3,-0.0 0.488 84.4-163.8 -78.3 145.0 18.5 6.8 43.0 19 17 A S S S+ 0 0 63 1,-0.1 75,-2.3 74,-0.1 2,-0.4 0.814 77.9 37.6 -64.0 -33.4 19.1 10.0 41.0 20 18 A T E +d 94 0B 72 73,-0.2 2,-0.3 -4,-0.1 75,-0.2 -0.986 69.1 176.5-124.8 129.8 15.6 9.9 39.5 21 19 A V E -d 95 0B 13 73,-1.7 75,-2.7 -2,-0.4 2,-0.5 -0.950 16.2-149.4-128.8 150.3 12.5 8.9 41.4 22 20 A T E +d 96 0B 84 -2,-0.3 2,-0.3 73,-0.2 75,-0.2 -0.989 23.7 165.4-124.6 124.7 8.9 8.9 40.3 23 21 A I E -d 97 0B 4 73,-2.7 75,-2.5 -2,-0.5 2,-0.3 -0.791 36.1-104.1-129.5 173.3 6.0 9.5 42.8 24 22 A K > - 0 0 130 -2,-0.3 3,-2.5 73,-0.2 49,-0.2 -0.777 50.7 -89.0 -98.1 146.1 2.3 10.3 42.8 25 23 A A T 3 S+ 0 0 43 73,-2.8 49,-0.3 -2,-0.3 3,-0.1 -0.254 117.2 33.9 -53.2 135.6 1.1 13.8 43.7 26 24 A G T 3 S+ 0 0 46 47,-3.2 -1,-0.3 1,-0.4 48,-0.2 0.098 96.9 109.1 102.1 -21.7 0.6 13.9 47.4 27 25 A E < - 0 0 39 -3,-2.5 46,-2.7 46,-0.4 -1,-0.4 -0.300 58.9-130.0 -84.1 171.0 3.4 11.6 48.2 28 26 A E E - C 0 72A 78 44,-0.2 -25,-1.8 -3,-0.1 2,-0.4 -0.781 4.2-145.5-123.7 163.3 6.7 12.4 49.9 29 27 A V E -aC 3 71A 0 42,-2.2 42,-1.8 -2,-0.3 2,-0.5 -0.991 12.0-157.3-126.5 132.6 10.4 11.9 49.3 30 28 A K E -aC 4 70A 88 -27,-2.6 -25,-2.7 -2,-0.4 2,-0.5 -0.970 3.1-156.3-115.0 125.2 12.9 11.5 52.1 31 29 A W E -aC 5 69A 0 38,-2.7 38,-1.7 -2,-0.5 2,-0.5 -0.894 11.0-163.3 -99.3 127.7 16.6 12.2 51.6 32 30 A V E -aC 6 68A 37 -27,-2.6 -25,-2.7 -2,-0.5 2,-0.4 -0.961 21.8-122.1-117.5 126.3 18.8 10.4 54.0 33 31 A N E +a 7 0A 1 34,-3.2 33,-2.8 -2,-0.5 34,-0.2 -0.524 45.1 157.2 -65.1 121.4 22.5 11.4 54.6 34 32 A N - 0 0 48 -27,-2.4 2,-0.3 1,-0.4 -26,-0.2 0.783 49.6 -9.1-112.6 -70.8 24.6 8.4 53.8 35 33 A K S S+ 0 0 101 -28,-1.3 -1,-0.4 -27,-0.2 -24,-0.0 -0.931 108.4 27.7-136.2 160.5 28.2 9.0 52.8 36 34 A L S S- 0 0 89 -2,-0.3 -1,-0.2 1,-0.1 -28,-0.0 0.884 92.6-130.7 58.2 49.7 30.6 11.8 51.9 37 35 A S + 0 0 48 26,-0.2 26,-0.1 -3,-0.1 2,-0.1 -0.145 69.9 66.0 -63.8 163.7 28.9 14.6 53.9 38 36 A P + 0 0 30 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.548 59.0 158.1 -92.5 164.2 27.8 17.3 54.0 39 37 A H E +G 62 0C 0 23,-1.3 23,-2.5 -2,-0.1 2,-0.3 -0.955 13.0 176.9-141.1 159.4 24.8 17.5 51.6 40 38 A N E - 0 0 0 -2,-0.3 2,-0.5 21,-0.2 19,-0.2 -0.912 27.3-117.3-152.1 171.3 21.7 19.6 51.1 41 39 A I E +G 58 0C 0 17,-2.2 17,-2.9 -2,-0.3 2,-0.5 -0.967 28.6 172.1-123.7 117.9 18.8 19.8 48.6 42 40 A V E -E 82 0B 5 40,-2.3 40,-2.0 -2,-0.5 2,-0.3 -0.978 19.3-149.6-127.0 118.1 18.2 22.8 46.4 43 41 A F E -E 81 0B 10 10,-0.5 38,-0.3 -2,-0.5 2,-0.2 -0.680 14.5-133.8 -86.1 135.7 15.5 22.7 43.7 44 42 A D - 0 0 40 36,-2.1 36,-0.2 -2,-0.3 4,-0.1 -0.591 14.2-129.9 -83.5 156.0 16.1 24.8 40.6 45 43 A A + 0 0 51 -2,-0.2 2,-0.5 2,-0.1 3,-0.4 0.208 64.8 117.8 -94.7 17.7 13.2 26.9 39.4 46 44 A D S S+ 0 0 113 1,-0.2 34,-0.3 34,-0.1 -2,-0.1 -0.728 86.8 5.6 -89.4 125.1 13.0 26.0 35.7 47 45 A G S S+ 0 0 84 -2,-0.5 31,-0.2 1,-0.2 -1,-0.2 0.272 124.1 66.1 93.3 -13.5 9.8 24.3 34.7 48 46 A V S S- 0 0 17 -3,-0.4 -1,-0.2 29,-0.1 2,-0.1 -0.905 100.2 -77.6-135.5 160.0 8.1 24.7 38.1 49 47 A P > - 0 0 77 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.416 38.7-130.3 -60.3 134.7 7.0 27.8 40.1 50 48 A A H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.887 106.0 48.4 -52.8 -44.9 9.9 29.5 41.8 51 50 A D H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.825 108.1 53.1 -69.5 -30.5 8.3 29.6 45.2 52 51 A T H > S+ 0 0 39 -3,-0.4 4,-1.7 2,-0.2 5,-0.2 0.951 108.2 51.7 -67.5 -45.5 7.3 25.9 45.1 53 52 A A H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 -10,-0.5 0.887 110.5 49.3 -56.5 -41.6 10.9 25.0 44.4 54 53 A A H < S+ 0 0 63 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.913 108.7 51.7 -65.4 -43.7 12.0 27.2 47.4 55 54 A K H < S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.777 110.6 49.5 -64.6 -27.8 9.4 25.5 49.7 56 55 A L H < S+ 0 0 12 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.699 94.4 95.6 -83.2 -22.1 10.7 22.1 48.7 57 56 A S < - 0 0 21 -4,-1.1 2,-0.4 -3,-0.5 -15,-0.2 -0.279 55.8-160.7 -72.3 155.3 14.4 22.9 49.2 58 57 A H E +G 41 0C 41 -17,-2.9 -17,-2.2 1,-0.1 -3,-0.1 -0.861 11.8 178.2-136.2 90.6 16.3 22.2 52.4 59 58 A K E + 0 0 126 -2,-0.4 2,-0.1 -19,-0.2 -1,-0.1 0.709 48.4 100.7 -70.4 -24.6 19.3 24.5 52.4 60 61 A G E S- 0 0 45 1,-0.1 2,-0.3 -19,-0.1 -19,-0.2 -0.400 77.5-115.8 -65.4 140.4 20.8 23.4 55.7 61 62 A L E - 0 0 73 -21,-0.1 2,-0.5 -2,-0.1 -21,-0.2 -0.566 19.3-145.2 -82.4 137.8 23.7 21.0 55.5 62 63 A L E +G 39 0C 14 -23,-2.5 -23,-1.3 -2,-0.3 7,-0.0 -0.878 23.9 167.0-102.8 131.3 23.4 17.5 56.9 63 64 A F + 0 0 134 -2,-0.5 -26,-0.2 -25,-0.2 -1,-0.1 0.810 49.7 72.9-109.7 -50.2 26.5 15.9 58.5 64 65 A A S > S- 0 0 53 1,-0.1 3,-1.5 2,-0.0 -31,-0.2 -0.417 85.2-108.3 -74.3 143.8 25.7 12.8 60.4 65 66 A A T 3 S+ 0 0 77 1,-0.2 -31,-0.2 -2,-0.1 -1,-0.1 -0.502 105.3 32.1 -68.6 134.5 24.8 9.5 58.7 66 67 A G T 3 S+ 0 0 53 -33,-2.8 -1,-0.2 1,-0.4 -32,-0.1 0.245 84.3 128.6 102.5 -17.3 21.1 8.8 59.1 67 68 A E < - 0 0 78 -3,-1.5 -34,-3.2 -34,-0.2 -1,-0.4 -0.440 39.2-172.7 -68.4 151.6 19.9 12.4 59.2 68 69 A S E -C 32 0A 48 -36,-0.2 2,-0.3 -3,-0.1 -36,-0.2 -0.918 26.4-152.3-146.5 168.9 17.1 13.2 56.8 69 70 A F E -C 31 0A 46 -38,-1.7 -38,-2.7 -2,-0.3 2,-0.4 -0.977 16.4-156.5-138.0 144.7 14.9 15.8 55.1 70 71 A T E -C 30 0A 57 -2,-0.3 2,-0.4 -40,-0.2 -40,-0.2 -0.976 9.3-177.3-129.5 140.8 11.3 15.2 53.8 71 72 A S E -C 29 0A 7 -42,-1.8 -42,-2.2 -2,-0.4 2,-0.5 -0.994 17.4-144.1-136.0 136.4 9.3 17.1 51.2 72 73 A T E -C 28 0A 72 -2,-0.4 2,-0.7 -44,-0.2 -44,-0.2 -0.904 10.5-154.4-101.3 127.8 5.7 16.5 50.2 73 74 A F + 0 0 2 -46,-2.7 -47,-3.2 -2,-0.5 -46,-0.4 -0.865 25.4 161.8-107.1 100.9 5.0 17.0 46.5 74 75 A T + 0 0 101 -2,-0.7 -1,-0.1 -49,-0.3 -49,-0.1 0.622 58.8 69.7 -92.2 -13.8 1.3 17.8 45.9 75 76 A E S S- 0 0 120 -50,-0.1 22,-0.1 -49,-0.0 -49,-0.1 -0.912 84.8-118.7-112.2 129.3 1.7 19.3 42.5 76 77 A P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.271 60.9 92.1 -60.9 144.9 2.5 17.3 39.3 77 78 A G E S- F 0 97B 24 20,-2.2 20,-3.2 -29,-0.1 2,-0.6 -0.947 74.3 -72.8 157.2-178.5 5.7 18.1 37.5 78 79 A T E - F 0 96B 68 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.964 41.6-170.0-113.5 113.2 9.4 17.5 36.9 79 80 A Y E - F 0 95B 4 16,-3.1 16,-2.2 -2,-0.6 2,-0.3 -0.906 0.8-168.6-110.7 108.3 11.6 18.9 39.8 80 81 A T E + F 0 94B 40 -2,-0.6 -36,-2.1 -34,-0.3 2,-0.3 -0.723 15.7 167.4 -94.1 144.4 15.3 18.9 39.2 81 82 A Y E -EF 43 93B 2 12,-2.1 12,-2.5 -2,-0.3 2,-0.3 -0.882 15.1-157.5-146.0 176.9 17.6 19.7 42.2 82 83 A Y E -EF 42 92B 33 -40,-2.0 -40,-2.3 -2,-0.3 2,-0.7 -0.976 28.3-107.5-156.7 166.2 21.2 19.6 43.4 83 84 A C > - 0 0 0 8,-2.2 3,-1.2 -2,-0.3 4,-0.3 -0.903 31.6-147.8 -99.6 110.2 23.5 19.5 46.3 84 85 A E G > S+ 0 0 86 -2,-0.7 3,-1.6 1,-0.3 4,-0.3 0.898 93.4 45.2 -46.0 -58.7 25.1 22.9 46.6 85 86 A P G 3 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.713 122.3 40.0 -64.3 -14.6 28.6 22.0 47.9 86 87 A H G < >S+ 0 0 32 -3,-1.2 5,-2.0 5,-0.2 4,-0.3 0.145 76.3 112.4-120.4 22.1 28.8 19.2 45.4 87 88 A R T X 5S+ 0 0 143 -3,-1.6 3,-1.9 -4,-0.3 -1,-0.1 0.916 78.6 54.3 -60.4 -42.8 27.3 20.7 42.3 88 89 A G T 3 5S+ 0 0 86 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.854 103.8 54.9 -60.1 -36.2 30.7 20.7 40.5 89 90 A A T 3 5S- 0 0 64 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.499 122.2-110.2 -75.4 -3.8 31.0 16.9 41.2 90 91 A G T < 5 + 0 0 40 -3,-1.9 2,-1.7 -4,-0.3 -3,-0.2 0.779 57.2 163.4 81.9 27.3 27.6 16.6 39.5 91 92 A M < + 0 0 0 -5,-2.0 -8,-2.2 -8,-0.2 2,-0.3 -0.625 25.5 140.0 -81.4 86.2 25.5 15.7 42.5 92 93 A V E - F 0 82B 78 -2,-1.7 -76,-0.5 -10,-0.2 2,-0.3 -0.883 27.2-175.5-126.5 160.3 22.1 16.4 40.9 93 94 A G E - F 0 81B 8 -12,-2.5 -12,-2.1 -2,-0.3 2,-0.3 -0.868 12.7-143.7-145.4-178.0 18.8 14.7 41.0 94 95 A K E -dF 20 80B 81 -75,-2.3 -73,-1.7 -2,-0.3 2,-0.4 -0.990 1.1-162.0-156.7 137.6 15.2 14.7 39.7 95 96 A V E -dF 21 79B 0 -16,-2.2 -16,-3.1 -2,-0.3 2,-0.6 -0.997 9.0-160.7-123.5 122.6 11.7 14.0 41.1 96 97 A V E -dF 22 78B 27 -75,-2.7 -73,-2.7 -2,-0.4 2,-0.5 -0.945 7.8-166.2-106.1 119.3 8.9 13.3 38.7 97 98 A V E dF 23 77B 4 -20,-3.2 -20,-2.2 -2,-0.6 -73,-0.2 -0.942 360.0 360.0-108.8 123.7 5.5 13.7 40.3 98 99 A E 0 0 173 -75,-2.5 -73,-2.8 -2,-0.5 -2,-0.0 -0.781 360.0 360.0-119.1 360.0 2.5 12.4 38.4