==== 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 1KDI . 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) . 5663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 58.8 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 . 9 8.8 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 34 0, 0.0 27,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.5 40.9 35.2 5.7 2 2 A K E -a 28 0A 147 25,-0.2 2,-0.4 2,-0.0 27,-0.2 -0.986 360.0-174.5-133.7 135.7 39.9 38.9 5.8 3 3 A V E -a 29 0A 1 25,-2.5 27,-2.2 -2,-0.4 2,-0.4 -0.995 18.2-139.7-132.8 135.4 38.4 41.0 3.0 4 4 A E E -aB 30 15A 105 11,-2.6 11,-2.5 -2,-0.4 2,-0.7 -0.814 14.2-146.3 -94.0 134.9 37.7 44.7 3.2 5 5 A V E -aB 31 14A 0 25,-3.2 27,-2.6 -2,-0.4 9,-0.2 -0.923 61.4 -26.8-110.5 113.2 34.4 45.7 1.6 6 6 A G S S- 0 0 0 7,-3.0 2,-0.3 -2,-0.7 27,-0.1 -0.109 72.2-116.3 75.4-173.2 34.6 49.1 -0.0 7 7 A D > - 0 0 27 4,-0.5 3,-1.4 25,-0.1 28,-0.3 -0.886 30.6 -88.9-148.6 178.3 37.0 51.9 0.9 8 8 A E T 3 S+ 0 0 164 1,-0.3 26,-0.1 -2,-0.3 25,-0.1 0.690 121.1 59.6 -74.2 -10.5 36.8 55.5 2.4 9 9 A V T 3 S- 0 0 124 24,-0.1 -1,-0.3 2,-0.0 24,-0.1 0.350 113.8-112.0 -93.5 4.1 36.6 57.0 -1.2 10 10 A G < + 0 0 29 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.842 59.2 156.3 73.6 26.2 33.3 55.1 -2.1 11 11 A N - 0 0 73 2,-0.1 2,-1.4 1,-0.1 -4,-0.5 -0.632 48.3-123.6 -81.2 145.8 34.7 52.7 -4.8 12 12 A F + 0 0 81 -2,-0.3 2,-0.3 -6,-0.1 84,-0.2 -0.661 65.7 120.3 -97.7 78.5 32.6 49.6 -5.3 13 13 A K - 0 0 107 -2,-1.4 -7,-3.0 82,-0.1 2,-0.4 -0.995 59.2-131.7-144.5 152.2 35.3 47.0 -4.6 14 14 A F E -B 5 0A 4 -2,-0.3 -9,-0.2 82,-0.3 3,-0.1 -0.799 35.9-121.8 -96.3 139.8 36.3 44.1 -2.5 15 15 A Y E S+B 4 0A 78 -11,-2.5 -11,-2.6 -2,-0.4 2,-0.1 -0.916 102.6 13.8-127.6 101.6 39.9 44.3 -1.2 16 16 A P S S- 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -12,-0.0 0.626 79.8-163.0 -80.8 164.3 41.4 41.7 -2.2 17 17 A D S S+ 0 0 94 1,-0.1 81,-1.9 -2,-0.1 2,-0.3 0.246 78.3 51.1 -95.4 15.0 38.9 40.5 -4.8 18 18 A S E +d 98 0B 64 79,-0.2 2,-0.3 2,-0.0 81,-0.2 -0.945 66.5 171.6-153.0 120.2 40.4 37.0 -4.9 19 19 A I E -d 99 0B 18 79,-1.9 81,-2.5 -2,-0.3 2,-0.4 -0.969 18.6-156.4-136.0 144.9 41.1 35.0 -1.8 20 20 A T E +d 100 0B 90 -2,-0.3 2,-0.3 79,-0.2 81,-0.2 -0.994 23.9 170.7-123.2 128.3 42.2 31.4 -1.4 21 21 A V E -d 101 0B 3 79,-2.9 81,-2.5 -2,-0.4 2,-0.2 -0.877 33.3-105.7-132.8 166.5 41.3 29.7 1.9 22 22 A S > - 0 0 69 -2,-0.3 3,-2.4 79,-0.2 55,-0.2 -0.613 56.4 -75.5 -86.9 154.3 41.4 26.3 3.5 23 23 A A T 3 S+ 0 0 52 1,-0.3 55,-0.3 -2,-0.2 -1,-0.1 -0.208 119.8 6.8 -49.2 125.3 38.1 24.2 4.0 24 24 A G T 3 S+ 0 0 32 53,-2.2 2,-0.6 1,-0.3 -1,-0.3 0.465 91.2 137.9 77.6 -2.5 36.1 25.6 6.9 25 25 A E < - 0 0 73 -3,-2.4 52,-0.4 52,-0.3 -1,-0.3 -0.641 56.2-124.7 -73.7 119.2 38.5 28.6 7.4 26 26 A A - 0 0 35 -2,-0.6 2,-0.6 50,-0.1 50,-0.2 -0.301 16.4-151.6 -59.2 140.8 36.2 31.6 8.0 27 27 A V E - C 0 75A 0 48,-2.6 48,-2.2 -6,-0.1 2,-0.6 -0.990 11.2-153.0-118.3 121.6 36.5 34.6 5.8 28 28 A E E -aC 2 74A 32 -27,-2.3 -25,-2.5 -2,-0.6 2,-0.5 -0.896 2.6-157.5 -96.9 118.3 35.5 37.8 7.5 29 29 A F E -aC 3 73A 0 44,-3.3 44,-1.9 -2,-0.6 2,-0.4 -0.848 13.0-170.8 -93.4 130.5 34.2 40.6 5.4 30 30 A T E -aC 4 72A 46 -27,-2.2 -25,-3.2 -2,-0.5 2,-0.3 -0.999 20.2-125.7-127.1 133.7 34.5 44.0 7.1 31 31 A L E -a 5 0A 17 40,-3.0 2,-0.4 -2,-0.4 -25,-0.2 -0.576 22.6-171.3 -75.1 133.7 33.0 47.2 5.8 32 32 A V + 0 0 36 -27,-2.6 3,-0.2 -2,-0.3 2,-0.1 -0.990 55.5 13.0-120.6 132.4 35.4 50.2 5.3 33 33 A G S S- 0 0 13 -2,-0.4 -25,-0.2 1,-0.2 -24,-0.1 -0.432 94.6 -74.7 101.5-178.1 33.8 53.6 4.5 34 34 A E S S+ 0 0 159 -27,-0.3 2,-0.3 -26,-0.1 34,-0.2 0.588 95.1 99.6 -98.5 -14.6 30.3 54.9 4.7 35 35 A T S S- 0 0 48 -28,-0.3 2,-0.2 -3,-0.2 -3,-0.1 -0.622 71.6-132.2 -73.9 126.7 28.7 53.1 1.6 36 36 A G + 0 0 21 -2,-0.3 2,-0.3 -5,-0.1 31,-0.2 -0.476 34.3 165.5 -77.8 148.7 26.8 50.0 2.7 37 37 A H B -G 66 0C 1 29,-0.5 29,-3.2 -2,-0.2 2,-0.3 -0.936 16.1-158.3-150.5 168.0 27.4 46.8 0.8 38 38 A N - 0 0 1 -2,-0.3 2,-0.4 27,-0.2 27,-0.1 -0.888 14.7-122.8-144.3-176.4 26.7 43.2 1.2 39 39 A I + 0 0 0 -2,-0.3 21,-2.9 48,-0.2 2,-0.4 -0.978 25.8 168.8-140.9 123.2 27.9 39.7 0.0 40 40 A V E -E 86 0B 20 46,-2.3 46,-2.4 -2,-0.4 2,-0.3 -0.996 28.0-130.4-128.2 129.7 25.9 37.1 -1.7 41 41 A F E -E 85 0B 6 14,-0.5 2,-0.3 -2,-0.4 44,-0.2 -0.653 16.6-124.6 -85.0 142.1 27.5 34.0 -3.4 42 42 A D - 0 0 73 42,-2.8 42,-0.2 -2,-0.3 -1,-0.0 -0.578 24.2-133.7 -74.5 140.8 26.6 32.9 -6.8 43 43 A I - 0 0 61 -2,-0.3 2,-0.1 40,-0.1 9,-0.1 -0.912 20.0-124.8-105.2 118.8 25.4 29.3 -6.8 44 44 A P > - 0 0 52 0, 0.0 3,-2.1 0, 0.0 2,-0.2 -0.396 26.6-118.7 -60.7 127.5 27.1 27.3 -9.6 45 45 A A T 3 S+ 0 0 112 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.556 105.1 33.9 -71.2 134.6 24.3 25.7 -11.8 46 46 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.203 87.6 143.2 103.1 -12.6 24.8 22.0 -11.6 47 47 A A < - 0 0 29 -3,-2.1 -1,-0.3 1,-0.1 5,-0.0 -0.304 56.5-110.1 -55.6 132.6 26.0 22.3 -8.0 48 48 A P >> - 0 0 77 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.300 32.6-107.0 -53.1 151.6 24.8 19.5 -5.6 49 49 A G H 3> S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.735 119.5 60.4 -59.9 -24.9 22.3 20.6 -3.1 50 50 A T H 3> S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.898 106.9 44.4 -71.6 -40.0 24.9 20.4 -0.3 51 51 A V H <> S+ 0 0 11 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.915 113.1 53.0 -66.5 -44.8 27.1 23.0 -2.1 52 52 A A H X S+ 0 0 24 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.919 110.3 46.9 -60.9 -42.7 23.9 25.2 -2.7 53 53 A S H X S+ 0 0 79 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.870 113.2 49.6 -61.6 -36.2 22.9 25.1 1.0 54 54 A E H X S+ 0 0 35 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.928 111.6 46.6 -68.6 -46.3 26.4 26.0 2.0 55 55 A L H < S+ 0 0 0 -4,-2.4 -14,-0.5 2,-0.2 -2,-0.2 0.874 112.7 50.8 -63.7 -40.3 26.6 28.9 -0.4 56 56 A K H >< S+ 0 0 147 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.949 110.7 48.1 -65.1 -47.9 23.2 30.2 0.7 57 57 A A H 3< S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 109.2 55.1 -61.7 -24.5 24.2 30.0 4.4 58 58 A A T 3< S+ 0 0 2 -4,-1.2 2,-0.3 -5,-0.1 -1,-0.3 0.253 99.4 86.1 -88.6 10.6 27.4 31.8 3.4 59 59 A S S < S- 0 0 25 -3,-1.9 -19,-0.3 -19,-0.1 2,-0.2 -0.840 75.7-123.9-114.4 151.5 25.3 34.7 1.9 60 60 A M - 0 0 12 -21,-2.9 -2,-0.1 -2,-0.3 2,-0.1 -0.591 38.3-101.4 -81.8 153.0 23.7 37.8 3.3 61 61 A D > - 0 0 101 -2,-0.2 3,-1.6 1,-0.1 -22,-0.1 -0.391 28.2-113.1 -71.3 152.5 20.0 38.3 2.9 62 62 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.839 118.7 51.0 -43.8 -44.6 18.8 40.8 0.2 63 63 A N T 3 S+ 0 0 134 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.012 95.4 93.2 -92.9 30.5 17.4 43.1 2.8 64 64 A D < + 0 0 53 -3,-1.6 2,-0.3 -4,-0.1 -4,-0.1 -0.988 46.1 173.3-126.9 130.9 20.8 43.1 4.7 65 65 A L - 0 0 87 -2,-0.4 -27,-0.2 -27,-0.1 2,-0.2 -0.987 34.9-117.6-132.9 141.8 23.6 45.7 4.2 66 66 A L B +G 37 0C 0 -29,-3.2 -29,-0.5 -2,-0.3 2,-0.3 -0.529 44.9 171.7 -69.9 147.4 26.8 46.0 6.3 67 67 A S B > -H 70 0D 44 3,-1.7 3,-1.3 -2,-0.2 -36,-0.2 -0.922 54.2 -88.4-149.7 174.7 26.8 49.5 8.0 68 68 A E T 3 S+ 0 0 121 -2,-0.3 -1,-0.0 1,-0.3 -34,-0.0 0.831 132.1 51.1 -63.5 -19.0 28.8 51.2 10.6 69 69 A D T 3 S+ 0 0 158 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.581 123.4 25.5 -94.4 -14.0 26.4 49.6 13.0 70 70 A E B < S+H 67 0D 69 -3,-1.3 -3,-1.7 1,-0.0 -1,-0.3 -0.660 78.3 166.0-138.9 76.4 26.8 45.9 11.6 71 71 A P + 0 0 55 0, 0.0 -40,-3.0 0, 0.0 2,-0.3 0.622 50.2 49.1 -84.0 -9.9 30.4 46.2 10.1 72 72 A S E -C 30 0A 48 -42,-0.2 2,-0.3 -5,-0.0 -42,-0.2 -0.915 48.2-172.2-133.0 162.4 31.2 42.5 9.5 73 73 A F E -C 29 0A 34 -44,-1.9 -44,-3.3 -2,-0.3 2,-0.5 -0.983 15.1-151.5-140.6 135.0 29.9 39.3 8.1 74 74 A K E -C 28 0A 125 -2,-0.3 2,-0.3 -46,-0.2 -46,-0.2 -0.962 12.5-175.6-116.0 125.2 31.6 35.8 8.4 75 75 A A E -C 27 0A 2 -48,-2.2 -48,-2.6 -2,-0.5 2,-0.4 -0.884 5.5-168.7-117.2 144.9 31.2 33.1 5.8 76 76 A K + 0 0 138 -2,-0.3 2,-0.4 -50,-0.2 -50,-0.1 -0.993 6.3 177.7-134.6 126.0 32.6 29.4 6.0 77 77 A V - 0 0 4 -52,-0.4 -53,-2.2 -2,-0.4 -52,-0.3 -0.992 7.5-179.1-128.6 126.2 32.6 27.1 3.0 78 78 A S + 0 0 66 -2,-0.4 -55,-0.1 -55,-0.3 -1,-0.1 0.649 53.5 95.3-102.9 -11.5 34.1 23.6 3.4 79 79 A T S S- 0 0 46 -29,-0.1 22,-0.2 -28,-0.1 -55,-0.0 -0.661 77.8-119.8 -82.3 122.8 33.6 22.2 -0.2 80 80 A P + 0 0 82 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.314 69.0 83.6 -54.2 136.3 36.7 22.6 -2.5 81 81 A G E S- F 0 101B 30 20,-1.6 20,-2.5 2,-0.1 2,-0.4 -0.927 79.0 -81.9 154.7-177.1 36.1 24.6 -5.7 82 82 A T E - F 0 100B 97 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.953 41.4-169.2-121.0 143.0 36.1 28.3 -6.6 83 83 A Y E - F 0 99B 13 16,-2.8 16,-2.8 -2,-0.4 2,-0.4 -0.967 15.0-135.4-130.6 145.0 33.0 30.4 -6.0 84 84 A T E - F 0 98B 46 -2,-0.3 -42,-2.8 -42,-0.2 2,-0.3 -0.830 20.6-172.2 -99.1 138.1 32.0 34.0 -7.1 85 85 A F E -EF 41 97B 0 12,-2.5 12,-2.1 -2,-0.4 2,-0.3 -0.909 4.5-179.9-124.8 156.8 30.5 36.5 -4.7 86 86 A Y E -EF 40 96B 42 -46,-2.4 -46,-2.3 -2,-0.3 2,-0.5 -0.945 31.9-110.2-147.8 167.7 29.0 39.9 -5.4 87 87 A C - 0 0 0 8,-2.0 4,-0.4 -2,-0.3 8,-0.2 -0.916 24.9-142.3 -97.8 130.2 27.4 42.8 -3.7 88 88 A T S > S+ 0 0 59 -2,-0.5 3,-1.3 2,-0.2 4,-0.4 0.966 95.9 47.0 -62.6 -50.4 23.7 43.2 -4.5 89 89 A P T 3 S+ 0 0 60 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.907 126.6 29.9 -51.7 -39.3 23.4 47.1 -4.7 90 90 A H T > >S+ 0 0 28 1,-0.2 5,-1.4 2,-0.1 3,-1.0 0.135 79.4 114.9-116.9 24.1 26.5 47.4 -6.9 91 91 A K G X 5S+ 0 0 103 -3,-1.3 3,-1.5 -4,-0.4 -1,-0.2 0.898 80.2 57.2 -57.6 -37.7 26.4 44.1 -8.7 92 92 A S G 3 5S+ 0 0 118 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.806 100.4 58.0 -60.5 -33.3 25.8 46.2 -11.8 93 93 A A G < 5S- 0 0 45 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.189 120.5-105.8 -87.4 17.5 29.1 48.0 -11.1 94 94 A N T < 5 + 0 0 121 -3,-1.5 2,-1.4 1,-0.2 -3,-0.2 0.841 61.1 161.8 59.8 35.8 31.1 44.8 -11.2 95 95 A M < + 0 0 0 -5,-1.4 -8,-2.0 -8,-0.2 2,-0.3 -0.721 30.1 118.8 -88.5 93.2 31.5 44.7 -7.5 96 96 A K E - F 0 86B 102 -2,-1.4 -82,-0.3 -10,-0.2 2,-0.3 -0.985 36.8-175.6-153.3 159.8 32.5 41.0 -7.2 97 97 A G E - F 0 85B 5 -12,-2.1 -12,-2.5 -2,-0.3 2,-0.3 -0.865 22.3-115.0-148.2 178.2 35.3 38.7 -6.1 98 98 A T E -dF 18 84B 48 -81,-1.9 -79,-1.9 -2,-0.3 2,-0.5 -0.947 11.1-157.5-125.6 147.2 36.2 35.0 -6.0 99 99 A L E -dF 19 83B 1 -16,-2.8 -16,-2.8 -2,-0.3 2,-0.6 -0.997 7.9-164.0-121.0 119.3 36.8 32.6 -3.1 100 100 A T E -dF 20 82B 26 -81,-2.5 -79,-2.9 -2,-0.5 2,-0.5 -0.957 7.4-158.8-105.3 119.8 39.0 29.5 -3.9 101 101 A V E dF 21 81B 3 -20,-2.5 -20,-1.6 -2,-0.6 -79,-0.2 -0.906 360.0 360.0-101.7 124.0 38.5 26.8 -1.2 102 102 A K 0 0 162 -81,-2.5 -80,-0.2 -2,-0.5 -1,-0.2 0.887 360.0 360.0 -91.3 360.0 41.5 24.3 -1.0