==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER 08-MAY-98 1KDJ . COMPND 2 MOLECULE: PLASTOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ADIANTUM CAPILLUS-VENERIS; . AUTHOR T.INOUE,M.GOTOWDA,K.HAMADA,T.KOHZUMA,F.YOSHIZAKI,Y.SUGIMURA, . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 21.6 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 . 0 0.0 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-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 . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 6.9 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 0 0 1 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 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 PARALLEL BRIDGES PER LADDER . 2 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 32 0, 0.0 27,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 160.8 41.0 35.3 5.8 2 2 A K E -a 28 0A 143 25,-0.2 2,-0.4 2,-0.0 27,-0.2 -0.979 360.0-172.0-129.0 136.3 39.9 38.9 6.0 3 3 A V E -a 29 0A 0 25,-2.8 27,-2.2 -2,-0.4 2,-0.5 -0.992 16.3-141.3-130.8 134.3 38.3 40.8 3.2 4 4 A E E -aB 30 15A 104 11,-2.9 11,-2.9 -2,-0.4 2,-0.7 -0.847 12.8-148.9 -93.4 136.1 37.7 44.6 3.2 5 5 A V E -aB 31 14A 0 25,-3.1 27,-2.7 -2,-0.5 9,-0.2 -0.926 60.8 -25.3-110.9 112.4 34.4 45.6 1.7 6 6 A G S S- 0 0 0 7,-2.7 2,-0.3 -2,-0.7 27,-0.1 -0.089 72.4-116.8 78.5-178.7 34.5 49.1 0.1 7 7 A D > - 0 0 30 4,-0.5 3,-1.3 25,-0.1 28,-0.3 -0.888 29.5 -89.6-145.2-179.8 36.9 51.9 1.0 8 8 A E T 3 S+ 0 0 150 -2,-0.3 26,-0.2 1,-0.3 25,-0.1 0.736 121.3 58.1 -66.1 -25.9 36.9 55.4 2.5 9 9 A V T 3 S- 0 0 121 24,-0.1 -1,-0.3 25,-0.0 24,-0.1 0.468 114.4-112.1 -84.5 -5.8 36.6 56.9 -1.0 10 10 A G < + 0 0 28 -3,-1.3 2,-0.2 1,-0.2 -2,-0.1 0.762 58.2 157.3 82.3 20.5 33.3 55.1 -1.9 11 11 A N - 0 0 76 1,-0.1 2,-1.3 2,-0.1 -4,-0.5 -0.534 47.4-124.5 -74.6 149.7 34.6 52.7 -4.6 12 12 A F + 0 0 84 -2,-0.2 2,-0.3 -6,-0.1 84,-0.2 -0.615 67.0 118.6 -97.8 79.0 32.6 49.6 -5.2 13 13 A K - 0 0 104 -2,-1.3 -7,-2.7 82,-0.1 2,-0.4 -0.986 59.6-132.1-144.8 149.8 35.3 47.0 -4.7 14 14 A F E -B 5 0A 4 82,-0.4 -9,-0.2 -2,-0.3 3,-0.1 -0.846 35.0-120.3 -97.6 142.4 36.3 44.1 -2.5 15 15 A Y E S+B 4 0A 82 -11,-2.9 -11,-2.9 -2,-0.4 2,-0.1 -0.938 102.2 12.6-126.1 105.9 39.9 44.2 -1.2 16 16 A P S S- 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -12,-0.1 0.667 79.1-164.0 -76.0 168.1 41.3 41.7 -2.2 17 17 A D S S+ 0 0 75 1,-0.1 81,-2.0 -3,-0.1 2,-0.3 0.269 78.0 50.0-100.1 9.2 38.8 40.4 -4.8 18 18 A S E +d 98 0B 70 79,-0.2 2,-0.3 2,-0.0 81,-0.2 -0.945 67.9 172.5-143.3 122.5 40.3 36.9 -4.9 19 19 A I E -d 99 0B 18 79,-1.9 81,-2.4 -2,-0.3 2,-0.4 -0.968 18.2-155.0-133.9 144.5 41.0 35.0 -1.7 20 20 A T E +d 100 0B 90 -2,-0.3 2,-0.3 79,-0.2 81,-0.2 -0.993 22.9 172.1-121.5 132.3 42.1 31.4 -1.2 21 21 A V E -d 101 0B 5 79,-2.7 81,-2.6 -2,-0.4 2,-0.2 -0.874 32.8-106.8-136.2 164.7 41.2 29.6 2.1 22 22 A S > - 0 0 73 -2,-0.3 3,-2.5 80,-0.2 55,-0.2 -0.594 57.6 -75.9 -84.3 150.1 41.4 26.2 3.6 23 23 A A T 3 S+ 0 0 57 1,-0.3 55,-0.3 -2,-0.2 -1,-0.1 -0.203 120.0 8.5 -45.2 123.6 38.2 24.2 4.1 24 24 A G T 3 S+ 0 0 23 53,-1.8 2,-0.4 1,-0.3 -1,-0.3 0.505 90.1 139.4 80.1 -0.2 36.2 25.6 7.1 25 25 A E < - 0 0 70 -3,-2.5 52,-0.4 52,-0.3 -1,-0.3 -0.628 56.9-119.1 -73.1 128.7 38.4 28.7 7.5 26 26 A A - 0 0 30 -2,-0.4 2,-0.6 50,-0.1 50,-0.2 -0.405 17.2-150.9 -66.0 138.1 36.2 31.7 8.2 27 27 A V E - C 0 75A 3 48,-2.5 48,-2.3 -2,-0.1 2,-0.6 -0.985 13.4-158.7-107.1 116.6 36.2 34.6 5.7 28 28 A E E -aC 2 74A 46 -27,-2.4 -25,-2.8 -2,-0.6 2,-0.4 -0.917 1.7-160.5-101.2 119.0 35.4 37.7 7.7 29 29 A F E -aC 3 73A 0 44,-3.1 44,-1.9 -2,-0.6 2,-0.4 -0.860 10.8-169.4 -97.0 130.1 34.2 40.6 5.4 30 30 A T E -aC 4 72A 42 -27,-2.2 -25,-3.1 -2,-0.4 2,-0.2 -0.993 20.0-124.2-129.7 129.0 34.5 44.0 7.1 31 31 A L E -a 5 0A 7 40,-2.8 2,-0.4 -2,-0.4 -25,-0.2 -0.524 23.2-169.7 -69.8 132.2 33.0 47.2 5.9 32 32 A V + 0 0 36 -27,-2.7 3,-0.2 -2,-0.2 2,-0.1 -0.993 55.5 5.8-119.2 135.0 35.3 50.1 5.3 33 33 A G S S- 0 0 3 -2,-0.4 -25,-0.2 1,-0.2 -24,-0.1 -0.491 94.5 -71.9 95.0-170.4 33.8 53.6 4.6 34 34 A E S S+ 0 0 153 -27,-0.3 2,-0.4 -26,-0.2 -1,-0.2 0.604 93.7 99.8-106.1 -16.4 30.2 54.8 4.6 35 35 A T S S- 0 0 49 -28,-0.3 -3,-0.2 -3,-0.2 2,-0.1 -0.623 73.5-130.0 -69.2 123.9 28.6 53.2 1.5 36 36 A G + 0 0 22 -2,-0.4 2,-0.3 -5,-0.1 31,-0.1 -0.385 35.4 169.1 -72.1 152.7 26.7 50.0 2.8 37 37 A H B -G 66 0C 1 29,-0.5 29,-3.1 -2,-0.1 2,-0.3 -0.964 15.4-158.6-151.6 166.8 27.4 46.8 0.9 38 38 A N - 0 0 0 -2,-0.3 2,-0.4 27,-0.2 27,-0.1 -0.872 15.6-122.4-143.9-172.9 26.6 43.1 1.3 39 39 A I + 0 0 0 -2,-0.3 21,-3.1 48,-0.2 2,-0.4 -0.978 26.4 170.2-138.9 122.3 27.9 39.7 0.2 40 40 A V E -E 86 0B 13 46,-2.4 46,-2.4 -2,-0.4 2,-0.3 -0.999 26.5-132.7-131.8 132.2 25.9 37.1 -1.7 41 41 A F E -E 85 0B 6 14,-0.4 2,-0.3 -2,-0.4 44,-0.3 -0.618 16.0-126.8 -85.3 138.2 27.3 34.0 -3.2 42 42 A D - 0 0 79 42,-2.5 42,-0.2 -2,-0.3 -1,-0.0 -0.626 22.7-133.1 -72.1 140.2 26.4 32.9 -6.8 43 43 A I - 0 0 65 -2,-0.3 3,-0.1 40,-0.1 9,-0.1 -0.881 23.8-124.1 -98.1 120.7 25.2 29.2 -6.8 44 44 A P > - 0 0 56 0, 0.0 3,-1.9 0, 0.0 2,-0.2 -0.288 32.1-100.2 -63.1 146.6 27.0 27.3 -9.7 45 45 A A T 3 S+ 0 0 110 1,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.476 108.9 14.0 -72.3 131.1 24.6 25.7 -12.1 46 46 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -2,-0.2 3,-0.1 0.531 88.0 156.3 82.9 4.0 24.3 22.0 -11.4 47 47 A A < - 0 0 29 -3,-1.9 -1,-0.2 1,-0.1 2,-0.1 -0.319 50.2-103.6 -51.1 137.5 25.9 22.4 -8.0 48 48 A P >> - 0 0 80 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.403 30.9-108.5 -56.8 150.5 24.8 19.6 -5.6 49 49 A G H 3> S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.757 117.6 58.9 -54.5 -31.7 22.3 20.5 -3.0 50 50 A T H 3> S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 110.6 42.3 -70.0 -35.5 24.9 20.3 -0.2 51 51 A V H <> S+ 0 0 9 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.934 112.4 53.8 -73.1 -46.7 27.0 23.0 -1.9 52 52 A A H X S+ 0 0 23 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 111.4 46.9 -53.8 -43.3 23.9 25.1 -2.8 53 53 A S H X S+ 0 0 78 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.885 111.2 50.5 -69.2 -35.2 22.9 25.0 0.9 54 54 A E H X S+ 0 0 36 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.916 111.2 47.9 -65.6 -43.9 26.4 26.0 2.1 55 55 A L H < S+ 0 0 0 -4,-2.7 -14,-0.4 2,-0.2 3,-0.4 0.898 110.7 50.9 -65.3 -41.5 26.6 28.9 -0.3 56 56 A K H >< S+ 0 0 142 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.934 110.9 49.5 -61.4 -41.8 23.1 30.2 0.8 57 57 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.725 109.4 52.7 -68.0 -20.0 24.2 29.9 4.5 58 58 A A T 3< S+ 0 0 2 -4,-0.9 2,-0.3 -3,-0.4 -1,-0.3 0.286 98.4 87.7 -96.5 6.7 27.3 31.8 3.6 59 59 A S S < S- 0 0 22 -3,-1.7 -19,-0.2 -19,-0.1 2,-0.2 -0.796 77.3-120.3-110.6 147.4 25.3 34.6 1.9 60 60 A M - 0 0 11 -21,-3.1 2,-0.3 -2,-0.3 -2,-0.1 -0.570 39.0-101.9 -74.6 151.8 23.8 37.7 3.4 61 61 A D > - 0 0 108 -2,-0.2 3,-1.6 1,-0.2 -22,-0.1 -0.578 33.2-122.9 -68.1 131.4 20.1 38.1 3.1 62 62 A E T 3 S+ 0 0 106 1,-0.3 -1,-0.2 -2,-0.3 -22,-0.0 0.555 112.0 62.3 -64.3 4.3 19.7 40.6 0.2 63 63 A N T 3 S+ 0 0 146 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.028 93.6 85.0-106.8 25.2 17.6 42.9 2.6 64 64 A D < - 0 0 52 -3,-1.6 2,-0.4 -4,-0.0 -4,-0.1 -0.960 55.0-179.4-128.6 138.5 20.8 43.2 4.8 65 65 A L - 0 0 79 -2,-0.4 -27,-0.2 -27,-0.1 2,-0.2 -0.985 32.8-114.3-138.3 143.4 23.6 45.6 4.4 66 66 A L B +G 37 0C 1 -29,-3.1 -29,-0.5 -2,-0.4 2,-0.3 -0.534 42.8 171.3 -67.7 144.9 26.7 46.0 6.4 67 67 A S B > -H 70 0D 44 3,-1.9 3,-0.8 -2,-0.2 -36,-0.2 -0.925 53.3 -95.3-146.9 170.0 26.7 49.4 8.2 68 68 A E T 3 S+ 0 0 107 -2,-0.3 4,-0.0 1,-0.3 -34,-0.0 0.786 131.2 55.4 -71.8 -9.1 29.1 50.7 10.9 69 69 A D T 3 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.788 123.4 24.3 -80.7 -32.5 26.5 49.4 13.3 70 70 A E B < S+H 67 0D 73 -3,-0.8 -3,-1.9 1,-0.1 -1,-0.3 -0.737 83.2 162.5-128.3 72.8 26.7 45.9 11.7 71 71 A P + 0 0 42 0, 0.0 -40,-2.8 0, 0.0 2,-0.3 0.694 49.9 44.3 -81.3 -18.8 30.3 46.2 10.2 72 72 A S E -C 30 0A 57 -42,-0.2 2,-0.3 -4,-0.0 -42,-0.2 -0.879 49.3-168.9-131.3 162.0 31.2 42.5 9.6 73 73 A F E -C 29 0A 41 -44,-1.9 -44,-3.1 -2,-0.3 2,-0.4 -0.980 14.5-152.3-140.5 136.1 29.9 39.2 8.1 74 74 A K E -C 28 0A 126 -2,-0.3 2,-0.3 -46,-0.2 -46,-0.2 -0.930 12.4-175.1-118.7 126.8 31.6 35.8 8.5 75 75 A A E -C 27 0A 4 -48,-2.3 -48,-2.5 -2,-0.4 2,-0.4 -0.942 6.8-166.9-121.1 142.6 31.2 33.0 6.0 76 76 A K - 0 0 126 -2,-0.3 2,-0.4 -50,-0.2 -50,-0.1 -1.000 5.3-178.4-130.0 125.4 32.5 29.4 6.1 77 77 A V - 0 0 4 -52,-0.4 -53,-1.8 -2,-0.4 -52,-0.3 -0.998 7.0-177.2-127.0 121.8 32.5 27.1 3.0 78 78 A S + 0 0 69 -2,-0.4 -1,-0.1 -55,-0.3 -55,-0.1 0.730 55.1 91.0 -88.1 -26.4 33.8 23.5 3.4 79 79 A T S S- 0 0 47 -29,-0.1 22,-0.2 1,-0.1 -55,-0.0 -0.631 78.4-119.6 -83.0 121.6 33.6 22.2 -0.2 80 80 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.232 68.2 85.8 -49.9 135.9 36.7 22.6 -2.5 81 81 A G E S- F 0 101B 30 20,-1.6 20,-3.0 2,-0.1 2,-0.4 -0.909 77.9 -82.5 154.6-179.1 36.0 24.7 -5.6 82 82 A T E - F 0 100B 85 -2,-0.3 2,-0.4 18,-0.2 18,-0.3 -0.962 42.8-173.6-115.7 137.9 36.0 28.3 -6.7 83 83 A Y E - F 0 99B 12 16,-2.9 16,-2.9 -2,-0.4 2,-0.3 -0.983 17.0-135.6-134.7 141.8 32.9 30.4 -6.0 84 84 A T E - F 0 98B 48 -2,-0.4 -42,-2.5 14,-0.2 2,-0.3 -0.732 19.6-171.5 -93.5 142.8 31.9 34.0 -7.0 85 85 A F E -EF 41 97B 0 12,-2.3 12,-2.4 -2,-0.3 2,-0.3 -0.949 4.9-176.3-128.9 156.4 30.4 36.4 -4.6 86 86 A Y E -EF 40 96B 31 -46,-2.4 -46,-2.4 -2,-0.3 2,-0.5 -0.913 29.9-111.1-146.1 166.2 28.9 39.8 -5.3 87 87 A C - 0 0 0 8,-2.0 4,-0.5 -2,-0.3 8,-0.2 -0.944 25.5-142.0 -99.7 129.4 27.4 42.8 -3.6 88 88 A T S > S+ 0 0 40 -2,-0.5 3,-1.3 1,-0.2 4,-0.3 0.953 96.1 44.3 -60.0 -54.8 23.6 43.2 -4.4 89 89 A P T 3 S+ 0 0 65 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.891 125.4 34.5 -53.4 -38.4 23.3 47.1 -4.7 90 90 A H T > >S+ 0 0 29 1,-0.2 5,-1.5 2,-0.1 3,-1.1 0.186 79.7 114.8-113.8 23.5 26.5 47.3 -6.8 91 91 A K G X 5S+ 0 0 113 -3,-1.3 3,-1.8 -4,-0.5 -1,-0.2 0.905 78.5 51.7 -57.7 -47.6 26.3 44.1 -8.8 92 92 A S G 3 5S+ 0 0 122 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.703 102.8 61.1 -67.2 -16.0 25.9 45.9 -12.1 93 93 A A G < 5S- 0 0 51 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.139 120.1-111.8 -92.6 19.6 29.0 47.9 -11.2 94 94 A N T < 5 + 0 0 101 -3,-1.8 2,-1.6 1,-0.2 -3,-0.2 0.769 57.7 161.7 55.8 35.5 31.0 44.6 -11.1 95 95 A M < + 0 0 2 -5,-1.5 -8,-2.0 -8,-0.2 2,-0.3 -0.629 30.8 126.1 -84.2 93.6 31.6 44.6 -7.4 96 96 A K E - F 0 86B 102 -2,-1.6 -82,-0.4 -10,-0.2 2,-0.3 -0.912 36.7-172.1-145.6 160.7 32.4 40.9 -7.2 97 97 A G E - F 0 85B 5 -12,-2.4 -12,-2.3 -2,-0.3 2,-0.4 -0.904 20.0-121.2-148.2 172.0 35.1 38.6 -6.0 98 98 A T E -dF 18 84B 39 -81,-2.0 -79,-1.9 -2,-0.3 2,-0.5 -0.950 12.4-159.5-122.1 144.4 36.2 34.9 -6.1 99 99 A L E -dF 19 83B 3 -16,-2.9 -16,-2.9 -2,-0.4 2,-0.5 -0.997 6.2-163.1-121.1 121.5 36.7 32.6 -3.1 100 100 A T E -dF 20 82B 28 -81,-2.4 -79,-2.7 -2,-0.5 2,-0.5 -0.949 6.6-158.6-104.1 124.3 38.9 29.4 -3.8 101 101 A V E dF 21 81B 2 -20,-3.0 -20,-1.6 -2,-0.5 -79,-0.2 -0.928 360.0 360.0-104.9 125.0 38.5 26.8 -1.1 102 102 A K 0 0 162 -81,-2.6 -80,-0.2 -2,-0.5 -1,-0.2 0.857 360.0 360.0 -95.6 360.0 41.4 24.3 -0.9