==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-SEP-93 1PND . COMPND 2 MOLECULE: PLASTOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS NIGRA; . AUTHOR B.A.FIELDS,J.M.GUSS,H.C.FREEMAN . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 63.6 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 . 13 13.1 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 A I 0 0 63 0, 0.0 27,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 135.0 -1.4 20.6 27.3 2 2 A D E -a 28 0A 118 25,-0.2 2,-0.5 27,-0.1 27,-0.2 -0.804 360.0-169.5 -95.2 132.7 -2.3 23.9 25.7 3 3 A V E -a 29 0A 0 25,-3.1 27,-3.2 -2,-0.4 2,-0.4 -0.986 14.8-138.9-123.8 120.5 0.3 26.5 25.2 4 4 A L E -aB 30 15A 53 11,-3.1 11,-2.0 -2,-0.5 2,-0.9 -0.661 7.4-142.6 -75.9 144.7 -0.4 30.1 24.2 5 5 A L E S+aB 31 14A 0 25,-2.8 27,-2.6 -2,-0.4 28,-1.9 -0.866 83.2 5.7-106.5 97.1 1.8 31.7 21.6 6 6 A G S S- 0 0 0 7,-2.6 6,-0.2 -2,-0.9 9,-0.2 0.300 93.9 -97.3 96.8 138.2 2.0 35.2 23.0 7 7 A A > - 0 0 15 4,-3.1 3,-2.4 25,-0.1 -2,-0.0 -0.410 30.0-107.1 -85.7 165.7 0.5 36.3 26.3 8 8 A D T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.629 122.2 55.4 -65.4 -14.3 -2.9 37.9 26.9 9 9 A D T 3 S- 0 0 125 2,-0.1 -1,-0.3 24,-0.1 -3,-0.0 0.323 125.4-103.3 -99.0 9.0 -1.1 41.1 27.6 10 10 A G < + 0 0 40 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.364 69.6 152.0 86.2 -1.5 0.7 41.0 24.3 11 11 A S - 0 0 58 1,-0.1 -4,-3.1 -5,-0.1 2,-1.8 -0.362 54.0-118.6 -61.3 140.6 4.0 39.8 25.7 12 12 A L S S+ 0 0 60 -6,-0.2 2,-0.3 78,-0.1 -1,-0.1 -0.560 71.8 114.5 -81.8 79.7 6.1 37.7 23.3 13 13 A A - 0 0 30 -2,-1.8 -7,-2.6 79,-0.2 2,-0.3 -0.996 68.9-113.0-144.3 155.2 6.1 34.5 25.3 14 14 A F E -B 5 0A 5 79,-0.4 -9,-0.2 -2,-0.3 79,-0.1 -0.694 42.8-122.6 -83.1 132.1 5.0 30.9 25.4 15 15 A V E S+B 4 0A 59 -11,-2.0 -11,-3.1 -2,-0.3 2,-0.2 -0.933 102.0 15.5-126.2 110.8 2.5 30.4 28.2 16 16 A P S S- 0 0 53 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.683 82.8-177.6 -77.9 164.3 3.5 28.3 30.0 17 17 A S S S+ 0 0 49 1,-0.3 78,-2.3 -2,-0.2 2,-0.5 0.747 70.6 43.8-105.6 -22.0 7.2 28.3 28.7 18 18 A E E S+d 95 0B 143 76,-0.2 2,-0.3 -4,-0.1 -1,-0.3 -0.978 73.7 138.7-122.1 133.1 8.5 25.5 30.9 19 19 A F E -d 96 0B 21 76,-1.5 78,-2.2 -2,-0.5 2,-0.4 -0.973 39.6-128.2-161.5 162.1 6.6 22.3 31.4 20 20 A S E +d 97 0B 73 -2,-0.3 2,-0.3 76,-0.2 78,-0.2 -0.924 26.3 174.7-116.8 140.1 6.8 18.5 31.7 21 21 A I E -d 98 0B 2 76,-2.3 78,-2.5 -2,-0.4 3,-0.1 -0.806 28.1-113.2-133.2 170.3 4.8 16.0 29.8 22 22 A S > - 0 0 67 -2,-0.3 3,-2.0 76,-0.2 52,-0.3 -0.689 53.2 -72.5 -97.9 158.8 4.6 12.2 29.4 23 23 A P T 3 S+ 0 0 60 0, 0.0 52,-0.3 0, 0.0 -1,-0.1 -0.279 120.3 12.7 -49.2 127.7 5.4 10.3 26.2 24 24 A G T 3 S+ 0 0 49 50,-2.5 2,-0.3 1,-0.3 51,-0.1 0.295 88.0 142.0 82.8 -2.2 2.7 10.8 23.6 25 25 A E < - 0 0 75 -3,-2.0 49,-0.7 49,-0.4 -1,-0.3 -0.505 54.0-117.2 -69.4 123.2 1.0 13.6 25.4 26 26 A K E - C 0 73A 110 -2,-0.3 2,-0.5 47,-0.2 47,-0.2 -0.477 22.3-161.0 -64.5 139.4 -0.3 16.2 23.0 27 27 A I E - C 0 72A 0 45,-2.6 45,-2.1 -2,-0.2 2,-0.7 -0.983 5.5-164.6-109.1 125.4 1.1 19.8 23.0 28 28 A V E -aC 2 71A 17 -27,-3.0 -25,-3.1 -2,-0.5 2,-0.6 -0.947 1.9-162.5-113.4 111.9 -1.2 22.3 21.3 29 29 A F E -aC 3 70A 0 41,-3.3 41,-2.1 -2,-0.7 2,-0.5 -0.859 14.9-166.0 -88.0 120.3 0.6 25.5 20.6 30 30 A K E -aC 4 69A 91 -27,-3.2 -25,-2.8 -2,-0.6 39,-0.2 -0.930 23.1-120.0-121.2 122.5 -2.1 28.2 19.9 31 31 A N E +a 5 0A 2 37,-3.2 36,-2.8 -2,-0.5 -25,-0.1 -0.343 46.5 153.4 -55.1 124.2 -1.7 31.6 18.3 32 32 A N - 0 0 16 -27,-2.6 2,-0.3 1,-0.3 -26,-0.2 0.698 55.3 -5.8-122.0 -56.4 -2.9 34.1 20.8 33 33 A A S S+ 0 0 18 -28,-1.9 -1,-0.3 -22,-0.1 -24,-0.1 -0.996 116.0 20.8-145.6 152.5 -1.2 37.5 20.5 34 34 A G S S- 0 0 42 -2,-0.3 -28,-0.1 1,-0.2 -1,-0.1 0.650 93.3-166.9 64.5 20.5 1.5 39.2 18.5 35 35 A F + 0 0 77 -30,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.222 59.1 91.5 -64.2 158.7 1.3 36.5 15.7 36 36 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 28,-0.2 0.417 66.2 152.5 -70.0 155.1 2.7 35.3 13.4 37 37 A H B -G 63 0C 0 26,-1.7 26,-3.4 -2,-0.2 2,-0.3 -0.966 24.5-169.6-139.4 165.5 4.6 32.8 15.4 38 38 A N - 0 0 0 -2,-0.3 2,-0.4 24,-0.2 24,-0.1 -0.886 20.7-126.7-144.3-174.5 6.1 29.4 15.0 39 39 A I + 0 0 0 -2,-0.3 18,-2.5 45,-0.1 2,-0.5 -0.997 26.4 179.1-137.7 112.5 7.6 26.7 17.2 40 40 A V E -E 83 0B 9 43,-2.9 43,-2.3 -2,-0.4 2,-0.4 -0.995 21.2-139.5-120.0 123.2 11.0 25.4 16.4 41 41 A F E -E 82 0B 5 -2,-0.5 2,-0.6 11,-0.3 41,-0.3 -0.698 27.0-116.8 -81.3 133.1 12.8 22.8 18.4 42 42 A D > - 0 0 48 39,-3.1 3,-2.3 -2,-0.4 39,-0.3 -0.623 20.3-149.7 -69.2 111.2 16.5 23.5 18.8 43 43 A E T 3 S+ 0 0 141 -2,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.730 96.7 50.0 -69.0 -11.1 18.1 20.5 17.0 44 44 A D T 3 S+ 0 0 136 1,-0.2 -1,-0.3 37,-0.0 4,-0.1 0.462 109.9 53.6 -97.4 -2.7 21.1 20.6 19.4 45 45 A S S < S+ 0 0 49 -3,-2.3 36,-2.6 36,-0.2 -3,-0.2 -0.186 92.2 74.5-132.3 48.3 18.9 20.7 22.5 46 46 A I S S- 0 0 11 -3,-0.4 34,-0.2 34,-0.2 33,-0.1 -0.822 104.5 -53.9-143.8 162.9 16.6 17.8 22.2 47 47 A P > - 0 0 27 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.150 61.7-118.9 -50.8 122.8 17.3 14.1 22.7 48 48 A S T 3 S+ 0 0 133 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.739 106.7 42.8 -56.3 -20.3 20.3 13.4 20.5 49 49 A G T 3 S+ 0 0 81 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.549 89.1 112.2-102.1 1.9 18.7 10.8 18.1 50 50 A V < - 0 0 25 -3,-1.3 2,-0.8 1,-0.1 -4,-0.1 -0.384 69.4-128.6 -71.7 138.5 15.4 12.6 17.8 51 51 A D > - 0 0 67 1,-0.2 3,-1.5 -2,-0.2 4,-0.4 -0.769 12.5-156.9 -87.9 108.6 14.6 14.1 14.3 52 52 A A G >> S+ 0 0 15 -2,-0.8 3,-1.4 1,-0.3 4,-1.1 0.818 88.7 64.2 -59.4 -23.5 13.8 17.7 14.9 53 53 A S G 34 S+ 0 0 89 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.750 93.8 60.3 -73.7 -23.6 11.8 17.8 11.7 54 54 A K G <4 S+ 0 0 156 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.633 117.2 29.4 -73.9 -13.9 9.3 15.3 12.9 55 55 A I T <4 S+ 0 0 14 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.383 112.3 57.9-127.3 -5.8 8.3 17.5 15.8 56 56 A S < - 0 0 23 -4,-1.1 2,-0.2 -16,-0.1 -16,-0.2 -0.914 68.5-114.3-129.7 171.5 8.8 21.1 14.7 57 57 A M - 0 0 11 -18,-2.5 -16,-0.2 -2,-0.3 2,-0.1 -0.551 43.3-109.4 -82.5 160.4 7.9 23.8 12.3 58 58 A S - 0 0 44 -2,-0.2 3,-0.3 1,-0.1 27,-0.1 -0.408 32.1-104.4 -77.7 171.0 10.7 25.1 10.1 59 59 A E S S+ 0 0 94 1,-0.2 -1,-0.1 -2,-0.1 26,-0.0 0.833 122.8 45.9 -65.2 -26.5 12.0 28.6 10.7 60 60 A E S S+ 0 0 149 25,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.699 91.3 96.0 -85.9 -29.5 10.2 29.9 7.7 61 61 A D - 0 0 85 -3,-0.3 2,-0.4 -22,-0.1 -4,-0.1 -0.503 59.1-171.5 -61.1 140.2 6.8 28.2 8.5 62 62 A L - 0 0 66 -2,-0.2 2,-0.5 -24,-0.1 -24,-0.2 -0.992 30.9-135.8-137.1 151.4 4.4 30.4 10.3 63 63 A L B +G 37 0C 9 -26,-3.4 -26,-1.7 -2,-0.4 7,-0.1 -0.867 29.8 179.0 -98.5 115.0 1.1 30.3 12.1 64 64 A N + 0 0 97 -2,-0.5 2,-0.4 -28,-0.2 -1,-0.1 0.598 46.5 65.5 -97.4 -24.7 -0.7 33.4 10.8 65 65 A A S > S- 0 0 49 4,-0.0 3,-2.1 1,-0.0 -34,-0.2 -0.896 84.9-101.8-105.5 152.2 -4.2 33.6 12.4 66 66 A K T 3 S+ 0 0 128 -2,-0.4 -34,-0.2 1,-0.3 3,-0.1 -0.393 113.0 18.9 -63.4 131.3 -5.4 34.0 15.9 67 67 A G T 3 S+ 0 0 29 -36,-2.8 -1,-0.3 1,-0.3 -35,-0.1 0.169 89.4 135.5 81.6 -1.8 -6.4 30.6 17.2 68 68 A E < - 0 0 75 -3,-2.1 -37,-3.2 -38,-0.1 -1,-0.3 -0.380 40.7-156.0 -65.6 142.5 -4.4 28.7 14.6 69 69 A T E -C 30 0A 61 -39,-0.2 2,-0.4 -3,-0.1 -39,-0.2 -0.922 27.0-152.3-126.0 161.3 -2.4 25.8 16.2 70 70 A F E -C 29 0A 45 -41,-2.1 -41,-3.3 -2,-0.3 2,-0.5 -1.000 24.7-163.4-124.7 120.8 0.6 23.6 15.8 71 71 A E E +C 28 0A 114 -2,-0.4 2,-0.3 -43,-0.2 -43,-0.2 -0.923 15.6 161.5-108.6 136.7 0.1 20.2 17.5 72 72 A V E -C 27 0A 12 -45,-2.1 -45,-2.6 -2,-0.5 2,-0.4 -0.990 25.2-153.9-149.1 145.2 2.8 17.8 18.4 73 73 A A E -C 26 0A 45 -2,-0.3 2,-0.4 -47,-0.2 -47,-0.2 -0.934 18.9-146.7-115.8 130.4 3.3 14.8 20.7 74 74 A L + 0 0 1 -49,-0.7 -50,-2.5 -2,-0.4 -49,-0.4 -0.886 16.8 179.8 -95.5 136.7 6.8 14.1 21.8 75 75 A S + 0 0 76 -2,-0.4 2,-0.2 -52,-0.3 -1,-0.1 0.837 53.6 77.1 -99.9 -55.6 7.8 10.5 22.4 76 76 A N S S- 0 0 87 1,-0.1 22,-0.2 -53,-0.1 -52,-0.0 -0.418 80.0-118.1 -68.0 134.2 11.5 10.3 23.5 77 77 A K + 0 0 132 -2,-0.2 2,-0.2 20,-0.1 22,-0.2 -0.350 67.3 60.8 -70.1 151.1 12.3 11.1 27.1 78 78 A G E S- F 0 98B 30 20,-2.6 20,-3.0 -31,-0.1 2,-0.4 -0.762 86.9 -35.4 126.3-174.0 14.5 14.1 28.1 79 79 A E E - F 0 97B 106 -2,-0.2 2,-0.5 18,-0.2 18,-0.2 -0.692 44.2-168.8 -86.4 134.6 14.7 17.9 27.7 80 80 A Y E - F 0 96B 1 16,-3.0 16,-2.7 -2,-0.4 2,-0.4 -0.952 4.0-162.2-125.2 114.6 13.5 19.7 24.6 81 81 A S E + F 0 95B 28 -36,-2.6 -39,-3.1 -2,-0.5 2,-0.3 -0.769 17.9 170.0 -95.7 136.7 14.3 23.4 24.0 82 82 A F E -EF 41 94B 3 12,-2.5 12,-2.8 -2,-0.4 2,-0.3 -0.881 10.6-175.5-142.2 165.4 12.3 25.3 21.5 83 83 A Y E -EF 40 93B 28 -43,-2.3 -43,-2.9 -2,-0.3 2,-0.6 -0.970 34.3-105.8-154.3 167.0 11.7 28.9 20.4 84 84 A C > - 0 0 0 8,-2.9 3,-1.0 -2,-0.3 4,-0.3 -0.947 34.0-142.2-102.6 114.1 9.7 31.1 18.1 85 85 A S G > S+ 0 0 30 -2,-0.6 3,-1.4 1,-0.2 4,-0.3 0.910 94.3 42.6 -46.9 -57.0 12.0 32.0 15.3 86 86 A P G 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.670 125.4 36.7 -61.0 -23.8 11.0 35.7 14.6 87 87 A H G <>>S+ 0 0 36 -3,-1.0 5,-2.2 5,-0.2 4,-0.6 0.137 78.7 111.3-116.9 10.8 10.8 36.4 18.4 88 88 A Q T X45S+ 0 0 83 -3,-1.4 3,-1.7 -4,-0.3 -3,-0.1 0.954 80.6 49.5 -56.0 -48.2 13.7 34.4 19.8 89 89 A G T 345S+ 0 0 85 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.833 103.6 60.3 -55.9 -41.2 15.7 37.5 20.8 90 90 A A T 345S- 0 0 74 -4,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.651 128.8 -96.2 -68.9 -10.4 12.7 39.1 22.5 91 91 A G T <<5S+ 0 0 41 -3,-1.7 2,-1.9 -4,-0.6 -3,-0.2 0.563 73.7 148.1 113.2 5.6 12.7 36.0 24.8 92 92 A M < + 0 0 0 -5,-2.2 -8,-2.9 -8,-0.2 2,-0.3 -0.591 36.9 113.4 -82.4 79.1 10.1 33.8 23.1 93 93 A V E + F 0 83B 63 -2,-1.9 -79,-0.4 -10,-0.3 2,-0.3 -0.916 36.3 174.7-137.1 162.5 11.6 30.5 24.1 94 94 A G E - F 0 82B 10 -12,-2.8 -12,-2.5 -2,-0.3 2,-0.4 -0.976 20.4-134.6-157.5-175.2 10.7 27.5 26.2 95 95 A K E -dF 18 81B 62 -78,-2.3 -76,-1.5 -2,-0.3 2,-0.4 -0.962 11.9-165.4-151.7 125.6 11.7 24.1 27.3 96 96 A V E -dF 19 80B 0 -16,-2.7 -16,-3.0 -2,-0.4 2,-0.5 -0.913 9.5-151.4-112.2 137.4 9.5 21.0 27.7 97 97 A T E -dF 20 79B 36 -78,-2.2 -76,-2.3 -2,-0.4 2,-0.6 -0.972 1.4-154.7-109.3 125.3 10.7 17.9 29.6 98 98 A V E dF 21 78B 2 -20,-3.0 -20,-2.6 -2,-0.5 -76,-0.2 -0.866 360.0 360.0 -99.4 111.7 9.4 14.5 28.6 99 99 A N 0 0 120 -78,-2.5 -79,-0.0 -2,-0.6 -2,-0.0 -0.624 360.0 360.0-127.0 360.0 9.6 12.3 31.6