==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 13-FEB-12 4DPA . COMPND 2 MOLECULE: PLASTOCYANIN A, CHLOROPLASTIC; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS NIGRA; . AUTHOR G.S.KACHALOVA,A.H.SHOSHEVA,G.P.BOURENKOV,A.A.DONCHEV,M.I.DIM . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 21.2 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 . 11 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.0 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+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 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 . 1 2 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 . 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 X I 0 0 60 0, 0.0 27,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.1 30.6 -2.4 1.2 2 2 X D E -a 28 0A 100 25,-0.2 2,-0.4 27,-0.1 27,-0.2 -0.768 360.0-168.5 -93.4 136.5 31.4 1.0 2.8 3 3 X V E -a 29 0A 0 25,-2.8 27,-2.9 -2,-0.4 2,-0.3 -0.988 15.5-136.9-125.2 120.7 28.7 3.5 3.2 4 4 X L E -aB 30 15A 42 11,-2.7 11,-2.2 -2,-0.4 2,-0.9 -0.605 6.3-142.5 -78.0 138.8 29.5 7.1 4.2 5 5 X L E S+aB 31 14A 0 25,-3.0 27,-2.6 -2,-0.3 28,-2.0 -0.874 85.3 8.7 -99.3 101.4 27.4 8.8 6.8 6 6 X G S S- 0 0 0 7,-2.5 6,-0.2 -2,-0.9 9,-0.2 0.289 94.6-100.2 92.5 132.8 27.2 12.3 5.4 7 7 X A > - 0 0 14 4,-2.7 3,-2.3 25,-0.1 -2,-0.0 -0.385 32.0-104.6 -81.1 166.3 28.6 13.1 1.9 8 8 X D T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.587 122.7 54.5 -67.3 -11.6 31.9 14.7 1.2 9 9 X D T 3 S- 0 0 125 2,-0.1 -1,-0.3 24,-0.1 -2,-0.0 0.225 125.0-101.4-100.6 9.1 30.1 18.0 0.5 10 10 X G S < S+ 0 0 38 -3,-2.3 -2,-0.1 1,-0.3 23,-0.0 0.370 70.6 151.4 90.2 -6.9 28.4 17.9 3.9 11 11 X S - 0 0 58 1,-0.1 -4,-2.7 -5,-0.1 2,-1.7 -0.320 54.7-118.6 -61.2 146.6 25.0 16.7 2.5 12 12 X L S S+ 0 0 56 -6,-0.2 2,-0.3 78,-0.1 -1,-0.1 -0.576 72.2 117.8 -87.4 83.8 23.0 14.6 5.1 13 13 X A - 0 0 31 -2,-1.7 -7,-2.5 79,-0.1 2,-0.4 -0.990 69.0-116.8-146.3 149.7 23.0 11.5 3.0 14 14 X F E -B 5 0A 5 79,-0.4 -9,-0.2 -2,-0.3 79,-0.1 -0.788 42.0-124.6 -78.9 136.0 24.1 7.9 3.1 15 15 X V E S+B 4 0A 61 -11,-2.2 -11,-2.7 -2,-0.4 2,-0.1 -0.934 101.6 18.7-129.7 108.2 26.6 7.4 0.2 16 16 X P S S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.618 81.1 177.2 -76.6 163.2 25.5 5.2 -1.4 17 17 X S + 0 0 47 1,-0.3 78,-2.5 -2,-0.1 2,-0.5 0.730 69.8 41.8-104.7 -28.6 21.9 5.2 -0.3 18 18 X E E S+d 95 0B 140 76,-0.2 2,-0.3 -4,-0.1 -1,-0.3 -0.991 76.6 137.5-120.9 126.1 20.5 2.4 -2.5 19 19 X F E -d 96 0B 21 76,-1.6 78,-2.3 -2,-0.5 2,-0.4 -0.977 40.2-127.8-161.3 160.6 22.5 -0.7 -3.0 20 20 X S E +d 97 0B 73 -2,-0.3 2,-0.3 76,-0.2 78,-0.2 -0.956 23.2 176.0-120.6 147.5 22.4 -4.5 -3.2 21 21 X I E -d 98 0B 3 76,-2.2 78,-2.9 -2,-0.4 3,-0.1 -0.853 27.9-117.9-136.4 164.5 24.5 -7.1 -1.4 22 22 X S > - 0 0 63 -2,-0.3 3,-1.5 76,-0.2 52,-0.2 -0.688 55.3 -70.0 -99.6 161.5 24.6 -10.8 -1.2 23 23 X P T 3 S+ 0 0 62 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.227 115.9 12.9 -52.4 140.1 24.0 -12.6 2.2 24 24 X G T 3 S+ 0 0 56 50,-3.3 2,-0.3 1,-0.3 51,-0.1 0.298 88.5 140.6 78.8 -6.0 26.7 -12.3 5.1 25 25 X E < - 0 0 81 -3,-1.5 49,-0.6 49,-0.3 -1,-0.3 -0.575 57.3-112.1 -77.6 128.9 28.6 -9.4 3.2 26 26 X K E - C 0 73A 113 -2,-0.3 2,-0.5 47,-0.1 47,-0.2 -0.275 24.4-162.2 -58.5 133.8 29.8 -6.6 5.6 27 27 X I E - C 0 72A 0 45,-2.5 45,-2.5 2,-0.0 2,-0.7 -0.999 8.6-167.7-108.9 124.7 28.1 -3.2 5.5 28 28 X V E -aC 2 71A 17 -27,-2.5 -25,-2.8 -2,-0.5 2,-0.5 -0.928 3.8-162.2-113.0 107.3 30.4 -0.7 7.2 29 29 X F E -aC 3 70A 0 41,-2.8 41,-2.2 -2,-0.7 2,-0.5 -0.803 14.9-165.3 -87.4 123.4 28.6 2.6 7.9 30 30 X K E -aC 4 69A 81 -27,-2.9 -25,-3.0 -2,-0.5 2,-0.2 -0.943 23.3-118.6-122.5 125.9 31.3 5.2 8.6 31 31 X N E +a 5 0A 1 37,-3.1 36,-2.5 -2,-0.5 -25,-0.1 -0.398 47.4 152.8 -59.7 125.8 30.9 8.7 10.1 32 32 X N - 0 0 21 -27,-2.6 2,-0.3 1,-0.4 -26,-0.2 0.768 56.5 -9.4-122.3 -56.1 32.0 11.2 7.4 33 33 X A S S+ 0 0 22 -28,-2.0 -1,-0.4 -22,-0.1 -24,-0.1 -0.992 116.6 25.0-153.3 143.0 30.3 14.6 7.7 34 34 X G S S- 0 0 39 -2,-0.3 -28,-0.1 1,-0.2 -1,-0.0 0.593 91.9-168.2 81.3 8.6 27.5 16.1 9.7 35 35 X F + 0 0 77 -30,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.205 59.2 88.3 -64.2 161.1 27.8 13.6 12.5 36 36 X P + 0 0 52 0, 0.0 2,-0.3 0, 0.0 28,-0.2 0.413 68.5 154.0 -63.8 152.1 26.5 12.5 15.0 37 37 X H B -G 63 0C 0 26,-1.5 26,-3.0 -2,-0.2 2,-0.3 -0.943 24.2-164.8-138.5 165.6 24.5 10.0 12.9 38 38 X N - 0 0 0 -2,-0.3 2,-0.4 24,-0.2 49,-0.1 -0.881 17.4-129.4-143.0 176.7 23.0 6.6 13.4 39 39 X I + 0 0 0 -2,-0.3 18,-2.9 19,-0.2 2,-0.5 -0.971 27.2 173.8-130.9 112.4 21.5 3.7 11.3 40 40 X V E -E 83 0B 10 43,-2.9 43,-2.4 -2,-0.4 2,-0.4 -0.986 23.8-140.8-121.3 125.6 18.1 2.4 12.2 41 41 X F E -E 82 0B 4 -2,-0.5 2,-0.6 11,-0.3 41,-0.3 -0.717 29.1-114.7 -82.2 139.2 16.4 -0.3 10.1 42 42 X D > - 0 0 52 39,-2.5 3,-2.3 -2,-0.4 39,-0.3 -0.590 19.4-148.6 -76.3 113.9 12.7 0.4 9.8 43 43 X E T 3 S+ 0 0 147 -2,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.670 96.1 51.2 -58.7 -22.1 11.0 -2.5 11.7 44 44 X D T 3 S+ 0 0 140 1,-0.2 -1,-0.3 37,-0.0 -2,-0.1 0.383 110.3 47.8 -95.4 2.5 8.0 -2.3 9.3 45 45 X S S < S+ 0 0 51 -3,-2.3 36,-2.0 36,-0.2 -3,-0.2 -0.125 89.3 89.1-139.7 39.4 10.0 -2.4 6.0 46 46 X I S S- 0 0 24 -3,-0.4 34,-0.2 34,-0.2 3,-0.1 -0.817 86.5 -65.5-125.9 167.7 12.5 -5.2 6.4 47 47 X P > - 0 0 19 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.119 67.9 -73.7 -63.4 155.6 12.0 -8.9 5.5 48 48 X S T 3 S+ 0 0 122 1,-0.3 -3,-0.0 -3,-0.0 28,-0.0 -0.097 113.5 0.9 -52.0 128.1 9.5 -11.2 7.1 49 49 X G T 3 S+ 0 0 80 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.430 88.5 142.9 77.9 -2.7 10.6 -12.3 10.6 50 50 X V < - 0 0 30 -3,-2.4 2,-0.8 -7,-0.1 -1,-0.2 -0.581 51.3-130.0 -72.7 135.1 13.8 -10.3 10.8 51 51 X D > - 0 0 81 -2,-0.3 3,-1.5 1,-0.2 4,-0.5 -0.743 13.2-158.9 -82.4 108.0 14.6 -8.9 14.2 52 52 X A G >> S+ 0 0 16 -2,-0.8 3,-1.2 1,-0.3 4,-0.9 0.827 87.6 65.0 -59.4 -27.8 15.5 -5.2 13.5 53 53 X S G 34 S+ 0 0 88 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.770 94.1 59.3 -69.1 -21.1 17.3 -5.0 16.8 54 54 X K G <4 S+ 0 0 176 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.665 118.1 28.5 -77.5 -17.3 19.9 -7.5 15.6 55 55 X I T <4 S+ 0 0 14 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.344 111.5 72.9-123.7 -0.0 20.9 -5.2 12.7 56 56 X S < - 0 0 20 -4,-0.9 2,-0.2 -3,-0.1 -16,-0.2 -0.856 68.5-126.4-122.9 152.8 20.2 -1.7 13.9 57 57 X M - 0 0 12 -18,-2.9 -16,-0.2 -2,-0.3 2,-0.1 -0.607 45.7-107.6 -73.2 155.8 21.4 0.9 16.2 58 58 X S > - 0 0 45 -2,-0.2 3,-1.0 1,-0.1 -19,-0.2 -0.478 29.4-110.0 -72.5 168.8 18.6 2.1 18.5 59 59 X E T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.1 -19,-0.1 0.777 119.5 52.6 -70.5 -23.4 17.3 5.5 17.7 60 60 X E T 3 S+ 0 0 155 25,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.572 91.9 90.9 -87.3 -16.0 18.9 6.9 20.9 61 61 X D < - 0 0 82 -3,-1.0 2,-0.4 -22,-0.1 -4,-0.1 -0.582 60.1-169.5 -79.3 147.1 22.3 5.5 20.1 62 62 X L - 0 0 71 -2,-0.2 2,-0.6 -24,-0.1 -24,-0.2 -0.986 29.6-135.6-137.1 149.1 24.7 7.7 18.1 63 63 X L B -G 37 0C 9 -26,-3.0 -26,-1.5 -2,-0.4 4,-0.1 -0.920 33.0-176.8 -91.9 120.8 28.1 7.5 16.3 64 64 X N + 0 0 95 -2,-0.6 2,-0.2 -28,-0.2 -1,-0.1 0.903 46.1 52.8 -96.6 -37.5 29.7 10.6 17.6 65 65 X A S > S- 0 0 53 1,-0.1 3,-2.1 -29,-0.0 -34,-0.2 -0.602 87.8 -89.1-112.7 154.7 33.1 11.1 16.0 66 66 X K T 3 S+ 0 0 127 1,-0.3 -34,-0.2 -2,-0.2 -1,-0.1 -0.375 112.6 18.4 -57.9 132.6 34.5 11.2 12.6 67 67 X G T 3 S+ 0 0 40 -36,-2.5 -1,-0.3 1,-0.3 2,-0.1 0.251 87.2 136.7 87.4 -9.8 35.5 7.8 11.3 68 68 X E < - 0 0 77 -3,-2.1 -37,-3.1 -38,-0.1 -1,-0.3 -0.466 38.7-155.9 -64.4 147.3 33.4 5.9 13.9 69 69 X T E -C 30 0A 66 -39,-0.2 2,-0.4 -2,-0.1 -39,-0.2 -0.863 26.4-157.0-128.9 159.0 31.6 2.9 12.3 70 70 X F E -C 29 0A 46 -41,-2.2 -41,-2.8 -2,-0.3 2,-0.4 -0.996 24.0-163.2-126.8 121.3 28.6 0.7 12.7 71 71 X E E +C 28 0A 106 -2,-0.4 2,-0.4 -43,-0.2 -43,-0.2 -0.890 14.5 165.5-110.7 130.8 29.0 -2.8 10.9 72 72 X V E -C 27 0A 9 -45,-2.5 -45,-2.5 -2,-0.4 2,-0.4 -1.000 21.8-156.2-142.6 146.7 26.3 -5.1 10.1 73 73 X A E -C 26 0A 46 -2,-0.4 2,-0.3 -47,-0.2 -47,-0.1 -0.975 17.0-147.0-118.4 140.7 25.9 -8.1 7.9 74 74 X L + 0 0 1 -49,-0.6 -50,-3.3 -2,-0.4 -49,-0.3 -0.761 16.5 179.3-102.0 156.3 22.4 -9.0 6.7 75 75 X S + 0 0 79 -2,-0.3 -1,-0.1 -52,-0.2 -50,-0.1 0.634 53.6 74.4-120.5 -63.5 21.3 -12.6 6.0 76 76 X N S S- 0 0 84 1,-0.1 22,-0.2 -29,-0.1 -1,-0.1 -0.334 80.4-114.6 -69.7 139.3 17.7 -12.9 4.9 77 77 X K + 0 0 129 20,-0.1 2,-0.3 -3,-0.1 22,-0.2 -0.380 67.8 60.4 -72.9 153.5 16.9 -11.9 1.3 78 78 X G E S- F 0 98B 26 20,-2.3 20,-2.8 -31,-0.1 2,-0.4 -0.771 85.1 -36.6 128.1-172.4 14.7 -9.0 0.4 79 79 X E E - F 0 97B 109 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.698 42.7-169.8 -90.5 135.5 14.5 -5.2 0.8 80 80 X Y E - F 0 96B 3 16,-2.6 16,-2.5 -2,-0.4 2,-0.4 -0.962 5.6-159.8-126.4 114.1 15.6 -3.4 3.9 81 81 X S E + F 0 95B 31 -36,-2.0 -39,-2.5 -2,-0.5 2,-0.3 -0.749 19.1 172.5 -92.2 140.7 14.7 0.3 4.4 82 82 X F E -EF 41 94B 4 12,-2.6 12,-2.6 -2,-0.4 2,-0.3 -0.911 9.8-175.6-142.1 168.7 16.8 2.3 6.9 83 83 X Y E -EF 40 93B 28 -43,-2.4 -43,-2.9 -2,-0.3 2,-0.6 -0.980 34.1-107.0-159.0 162.5 17.3 5.8 8.1 84 84 X C > - 0 0 0 8,-2.4 4,-0.6 -2,-0.3 3,-0.4 -0.921 34.2-142.5 -92.8 121.0 19.4 8.1 10.3 85 85 X S T >4 S+ 0 0 30 -2,-0.6 3,-1.1 1,-0.2 4,-0.3 0.940 94.2 40.7 -56.3 -53.5 17.1 9.0 13.2 86 86 X P T 34 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.722 126.3 35.6 -73.0 -16.2 18.1 12.6 13.8 87 87 X H T 34>S+ 0 0 53 -3,-0.4 5,-2.0 5,-0.2 4,-0.5 0.179 80.2 111.2-119.6 16.1 18.3 13.4 10.1 88 88 X Q T X<5S+ 0 0 87 -3,-1.1 3,-1.8 -4,-0.6 -1,-0.1 0.916 80.5 48.7 -60.3 -48.1 15.5 11.3 8.6 89 89 X G T 3 5S+ 0 0 86 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.804 103.1 62.1 -64.7 -26.7 13.3 14.3 7.7 90 90 X A T 3 5S- 0 0 73 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.583 129.1 -99.2 -69.6 -12.0 16.3 16.0 6.0 91 91 X G T < 5S+ 0 0 44 -3,-1.8 2,-1.8 -4,-0.5 -3,-0.2 0.559 73.2 148.5 106.5 8.6 16.3 12.9 3.7 92 92 X M < + 0 0 0 -5,-2.0 -8,-2.4 -8,-0.2 2,-0.3 -0.595 36.3 118.3 -83.6 84.2 19.0 10.8 5.3 93 93 X V E + F 0 83B 67 -2,-1.8 -79,-0.4 -10,-0.2 2,-0.3 -0.889 35.4 176.4-138.3 166.2 17.4 7.4 4.4 94 94 X G E - F 0 82B 9 -12,-2.6 -12,-2.6 -2,-0.3 2,-0.3 -0.965 20.1-137.5-163.5 177.5 18.4 4.4 2.3 95 95 X K E -dF 18 81B 62 -78,-2.5 -76,-1.6 -2,-0.3 2,-0.4 -0.939 11.6-165.8-149.0 126.0 17.4 0.9 1.1 96 96 X V E -dF 19 80B 0 -16,-2.5 -16,-2.6 -2,-0.3 2,-0.5 -0.927 9.4-152.0-112.6 135.3 19.6 -2.1 0.8 97 97 X T E -dF 20 79B 36 -78,-2.3 -76,-2.2 -2,-0.4 2,-0.6 -0.933 3.7-152.4-106.6 123.5 18.4 -5.2 -1.1 98 98 X V E dF 21 78B 2 -20,-2.8 -20,-2.3 -2,-0.5 -76,-0.2 -0.865 360.0 360.0 -93.5 122.0 19.8 -8.6 -0.1 99 99 X N 0 0 114 -78,-2.9 -79,-0.0 -2,-0.6 -2,-0.0 -0.659 360.0 360.0-136.5 360.0 19.8 -10.8 -3.2