==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 09-JUN-04 1TKW . COMPND 2 MOLECULE: PLASTOCYANIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS NIGRA; . AUTHOR C.LANGE,T.CORNVIK,I.DIAZ-MORENO,M.UBBINK . 349 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 48 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 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 . 1 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 PARALLEL BRIDGES PER LADDER . 5 5 2 0 1 4 2 0 0 1 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 4 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 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 71 0, 0.0 27,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 141.7 99.1 75.8 -34.9 2 2 A D E -a 28 0A 86 25,-0.2 2,-0.5 27,-0.1 27,-0.2 -0.855 360.0-170.5-102.6 131.2 96.1 74.5 -32.9 3 3 A V E -a 29 0A 0 25,-2.2 27,-2.4 -2,-0.5 2,-0.4 -0.976 16.1-138.0-123.0 125.0 95.9 75.4 -29.2 4 4 A L E -aB 30 15A 33 11,-2.7 11,-2.0 -2,-0.5 2,-1.1 -0.649 7.1-141.8 -83.8 134.9 93.2 73.7 -26.9 5 5 A L E S+aB 31 14A 0 25,-2.6 28,-2.0 -2,-0.4 27,-1.9 -0.791 84.5 10.1 -95.3 96.4 91.3 75.9 -24.4 6 6 A G S S- 0 0 0 7,-1.9 6,-0.2 -2,-1.1 28,-0.1 0.335 94.3-100.1 102.5 125.1 91.1 73.5 -21.4 7 7 A A > - 0 0 15 4,-2.6 3,-1.8 1,-0.1 -2,-0.0 -0.200 34.6-103.7 -71.1 167.9 93.1 70.2 -21.3 8 8 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.709 123.7 56.3 -67.1 -15.8 91.5 66.8 -22.0 9 9 A D T 3 S- 0 0 125 24,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.322 126.7-100.5 -97.0 9.9 91.4 66.2 -18.2 10 10 A G S < S+ 0 0 31 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.576 70.9 154.6 85.0 9.6 89.4 69.4 -17.6 11 11 A S - 0 0 31 1,-0.1 -4,-2.6 -5,-0.1 2,-1.6 -0.458 50.9-121.5 -70.5 141.2 92.5 71.4 -16.5 12 12 A L S S+ 0 0 17 -6,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.616 71.3 108.6 -84.7 85.4 92.2 75.2 -17.0 13 13 A A S S- 0 0 35 -2,-1.6 -7,-1.9 79,-0.1 2,-0.4 -0.996 71.6-108.4-156.1 155.4 95.3 75.7 -19.3 14 14 A F E -B 5 0A 3 79,-0.4 -9,-0.2 -2,-0.3 4,-0.1 -0.708 41.9-122.3 -85.4 132.0 96.2 76.4 -23.0 15 15 A V E S+B 4 0A 61 -11,-2.0 -11,-2.7 -2,-0.4 2,-0.1 -0.894 105.8 15.1-124.5 107.2 97.7 73.3 -24.7 16 16 A P S S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.586 83.5 178.8 -79.5 166.7 100.3 74.1 -25.6 17 17 A S S S+ 0 0 48 1,-0.3 78,-2.1 -2,-0.1 2,-0.5 0.761 73.2 40.8-100.7 -30.9 100.6 77.4 -23.5 18 18 A E E S+d 95 0B 135 76,-0.2 2,-0.3 -4,-0.1 -1,-0.3 -0.966 76.4 137.7-121.8 120.0 104.2 78.4 -24.6 19 19 A F E -d 96 0B 21 76,-1.4 78,-2.0 -2,-0.5 2,-0.4 -0.972 41.3-126.3-153.0 166.7 105.1 78.0 -28.4 20 20 A S E +d 97 0B 67 -2,-0.3 2,-0.3 76,-0.2 78,-0.2 -0.925 24.9 179.8-121.4 146.0 106.8 79.8 -31.3 21 21 A I E -d 98 0B 3 76,-2.2 78,-1.8 -2,-0.4 3,-0.1 -0.954 28.3-110.8-140.0 161.2 105.4 80.6 -34.7 22 22 A S > - 0 0 63 -2,-0.3 3,-1.6 76,-0.2 52,-0.2 -0.507 53.1 -80.7 -87.8 161.9 106.5 82.3 -38.0 23 23 A P T 3 S+ 0 0 62 0, 0.0 52,-0.3 0, 0.0 -1,-0.1 -0.416 118.1 17.9 -67.1 132.3 105.0 85.7 -39.0 24 24 A G T 3 S+ 0 0 52 50,-3.3 51,-0.1 1,-0.3 2,-0.1 0.283 90.5 136.6 90.0 -10.2 101.6 85.3 -40.7 25 25 A E < - 0 0 81 -3,-1.6 49,-0.9 49,-0.4 -1,-0.3 -0.450 54.7-122.9 -69.0 139.4 101.2 81.7 -39.3 26 26 A K E - C 0 73A 109 47,-0.2 2,-0.6 -2,-0.1 47,-0.2 -0.658 15.6-154.0 -89.5 142.8 97.6 81.2 -38.0 27 27 A I E - C 0 72A 0 45,-2.4 45,-1.5 -2,-0.3 2,-0.9 -0.948 7.1-159.5-112.8 117.1 96.8 80.2 -34.4 28 28 A V E -aC 2 71A 25 -27,-3.1 -25,-2.2 -2,-0.6 2,-0.6 -0.806 3.3-165.1-102.7 102.3 93.5 78.3 -34.0 29 29 A F E -aC 3 70A 0 41,-2.4 41,-2.3 -2,-0.9 2,-0.5 -0.722 13.5-169.5 -83.5 118.8 92.3 78.4 -30.4 30 30 A K E -aC 4 69A 67 -27,-2.4 -25,-2.6 -2,-0.6 39,-0.2 -0.941 26.6-116.2-118.7 132.6 89.5 75.8 -30.0 31 31 A N E +a 5 0A 1 37,-3.1 36,-1.9 -2,-0.5 -25,-0.1 -0.412 47.4 155.7 -60.9 122.0 87.2 75.4 -27.0 32 32 A N - 0 0 28 -27,-1.9 2,-0.3 1,-0.3 -26,-0.2 0.734 55.5 -17.2-118.5 -55.2 88.0 71.9 -25.6 33 33 A A S S+ 0 0 21 -28,-2.0 -1,-0.3 -22,-0.1 -24,-0.1 -0.991 112.8 32.4-157.0 149.2 87.0 71.7 -21.8 34 34 A G S S- 0 0 38 -2,-0.3 -28,-0.1 1,-0.1 -1,-0.1 0.641 92.4-170.3 80.8 14.1 86.1 73.9 -18.8 35 35 A F + 0 0 78 -30,-0.1 29,-0.2 2,-0.1 2,-0.1 -0.141 61.4 91.0 -68.4 170.6 84.5 76.6 -21.1 36 36 A P + 0 0 59 0, 0.0 2,-0.3 0, 0.0 28,-0.2 0.467 68.9 159.8 -66.5 152.1 83.3 79.3 -21.5 37 37 A H B -G 63 0C 0 26,-2.0 26,-3.1 -2,-0.1 2,-0.3 -0.933 20.3-172.6-138.6 164.1 86.8 80.6 -22.4 38 38 A N - 0 0 0 -2,-0.3 2,-0.5 24,-0.2 24,-0.1 -0.969 21.7-126.1-153.2 163.3 88.2 83.6 -24.3 39 39 A I + 0 0 0 -2,-0.3 18,-2.7 45,-0.1 2,-0.5 -0.943 27.7 175.1-121.2 114.4 91.6 84.8 -25.6 40 40 A V E -E 83 0B 14 43,-2.5 43,-2.0 -2,-0.5 2,-0.4 -0.968 22.1-141.6-120.7 126.9 92.8 88.3 -24.6 41 41 A F E -E 82 0B 3 -2,-0.5 2,-0.6 11,-0.3 41,-0.3 -0.699 27.8-113.3 -87.3 133.8 96.3 89.6 -25.4 42 42 A D > - 0 0 43 39,-3.3 3,-2.1 -2,-0.4 39,-0.3 -0.527 20.1-153.1 -69.1 112.2 98.0 91.7 -22.7 43 43 A E T 3 S+ 0 0 55 -2,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.797 97.3 47.5 -57.1 -28.6 98.2 95.3 -24.2 44 44 A D T 3 S+ 0 0 44 1,-0.2 -1,-0.3 243,-0.1 -2,-0.1 0.382 111.4 52.5 -94.3 3.9 101.2 96.0 -22.0 45 45 A S S < S+ 0 0 55 -3,-2.1 36,-1.9 36,-0.2 -3,-0.2 -0.036 90.8 83.0-131.7 38.1 103.0 92.6 -22.9 46 46 A I S S- 0 0 25 -3,-0.4 34,-0.2 34,-0.2 3,-0.1 -0.835 92.0 -67.6-130.5 168.6 103.1 92.6 -26.7 47 47 A P > - 0 0 22 0, 0.0 3,-1.7 0, 0.0 31,-0.1 -0.257 66.0 -90.4 -60.8 141.0 105.5 94.1 -29.3 48 48 A S T 3 S+ 0 0 123 1,-0.2 3,-0.1 -4,-0.1 -4,-0.0 -0.220 109.9 22.3 -54.3 136.4 105.4 98.0 -29.4 49 49 A G T 3 S+ 0 0 82 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.324 88.0 130.8 89.8 -8.6 102.9 99.5 -31.9 50 50 A V < - 0 0 20 -3,-1.7 2,-0.8 -7,-0.1 -1,-0.3 -0.628 56.9-133.8 -81.4 134.3 100.7 96.4 -32.1 51 51 A D > - 0 0 80 -2,-0.4 3,-1.2 1,-0.2 4,-0.5 -0.751 11.3-160.7 -87.0 111.2 96.9 97.0 -31.7 52 52 A A G >> S+ 0 0 17 -2,-0.8 4,-0.9 1,-0.2 3,-0.7 0.772 87.5 66.3 -65.1 -23.7 95.6 94.4 -29.2 53 53 A S G 34 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.764 97.0 55.8 -69.4 -23.0 92.0 95.0 -30.4 54 54 A K G <4 S+ 0 0 168 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.655 118.2 30.4 -82.9 -17.3 93.0 93.5 -33.9 55 55 A I T <4 S+ 0 0 15 -3,-0.7 2,-0.3 -4,-0.5 -2,-0.2 0.353 111.6 64.6-123.4 5.4 94.3 90.2 -32.4 56 56 A S S < S- 0 0 20 -4,-0.9 -16,-0.2 -16,-0.1 2,-0.1 -0.910 73.6-114.9-130.9 162.2 92.2 89.5 -29.2 57 57 A M - 0 0 27 -18,-2.7 -16,-0.2 -2,-0.3 2,-0.1 -0.482 47.5 -93.9 -83.3 160.0 88.6 88.9 -28.2 58 58 A S > - 0 0 61 1,-0.1 3,-2.1 -2,-0.1 -1,-0.1 -0.490 31.9-118.6 -73.5 147.1 86.8 91.5 -26.0 59 59 A E T 3 S+ 0 0 35 1,-0.3 -1,-0.1 -2,-0.1 -19,-0.1 0.807 119.0 49.3 -55.5 -26.7 87.1 90.8 -22.3 60 60 A E T 3 S+ 0 0 142 25,-0.0 -1,-0.3 2,-0.0 2,-0.3 0.534 94.2 91.7 -90.6 -6.9 83.2 90.5 -22.3 61 61 A D < - 0 0 92 -3,-2.1 2,-0.3 2,-0.0 -4,-0.1 -0.645 57.9-173.5 -88.9 145.9 83.2 88.1 -25.4 62 62 A L - 0 0 73 -2,-0.3 2,-0.8 -24,-0.1 -24,-0.2 -0.996 31.6-139.9-142.2 148.0 83.2 84.3 -24.7 63 63 A L B +G 37 0C 9 -26,-3.1 -26,-2.0 -2,-0.3 4,-0.1 -0.880 33.2 168.2 -98.6 106.7 83.4 80.9 -26.6 64 64 A N + 0 0 104 -2,-0.8 2,-0.4 -28,-0.2 -1,-0.1 0.335 46.8 71.5-110.4 12.6 80.8 78.9 -24.6 65 65 A A S > S- 0 0 43 0, 0.0 3,-1.8 0, 0.0 -34,-0.2 -0.964 88.0-100.8-128.4 144.8 80.3 75.7 -26.8 66 66 A K T 3 S+ 0 0 135 -2,-0.4 -34,-0.2 1,-0.2 3,-0.1 -0.383 109.1 23.1 -61.1 130.0 82.7 72.8 -27.4 67 67 A G T 3 S+ 0 0 42 -36,-1.9 -1,-0.2 1,-0.3 -35,-0.1 0.197 83.5 138.4 98.9 -15.5 84.5 73.2 -30.8 68 68 A E < - 0 0 76 -3,-1.8 -37,-3.1 -38,-0.1 2,-0.3 -0.355 37.1-161.0 -61.4 139.4 84.1 77.0 -31.0 69 69 A T E -C 30 0A 65 -39,-0.2 2,-0.4 -3,-0.1 -39,-0.2 -0.942 23.9-160.8-128.9 154.6 87.3 78.5 -32.4 70 70 A F E -C 29 0A 53 -41,-2.3 -41,-2.4 -2,-0.3 2,-0.4 -0.988 19.0-164.0-129.2 117.9 89.1 81.9 -32.5 71 71 A E E +C 28 0A 99 -2,-0.4 2,-0.3 -43,-0.2 -43,-0.2 -0.851 12.4 169.9-107.8 142.4 91.8 82.2 -35.2 72 72 A V E -C 27 0A 11 -45,-1.5 -45,-2.4 -2,-0.4 2,-0.5 -0.996 20.7-151.8-149.4 143.0 94.5 85.0 -35.3 73 73 A A E -C 26 0A 48 -2,-0.3 2,-0.4 -47,-0.2 -47,-0.2 -0.959 13.0-156.2-117.4 124.5 97.7 85.5 -37.4 74 74 A L + 0 0 4 -49,-0.9 -50,-3.3 -2,-0.5 -49,-0.4 -0.806 18.0 170.4-100.6 139.7 100.6 87.6 -35.9 75 75 A S + 0 0 80 -2,-0.4 -1,-0.1 -52,-0.3 2,-0.1 0.730 52.8 84.0-115.9 -41.2 103.1 89.3 -38.1 76 76 A N S S- 0 0 88 1,-0.1 22,-0.2 -29,-0.1 2,-0.1 -0.426 80.0-123.4 -67.2 136.7 105.3 91.6 -35.9 77 77 A K + 0 0 122 -2,-0.1 2,-0.3 20,-0.1 22,-0.2 -0.467 64.9 72.0 -80.4 153.8 108.1 89.7 -34.2 78 78 A G E S- F 0 98B 28 20,-1.7 20,-2.4 -2,-0.1 2,-0.4 -0.865 85.4 -48.3 136.2-170.7 108.6 89.6 -30.4 79 79 A E E - 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