==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 07-SEP-01 1JXG . COMPND 2 MOLECULE: PLASTOCYANIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS NIGRA; . AUTHOR M.MILANI,L.ANDOLFI,S.CANNISTRARO,M.P.VERBEET,M.BOLOGNESI . 200 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 20.5 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 . 2 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 . 22 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 3 3 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 0 A M 0 0 129 0, 0.0 2,-0.5 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 164.9 15.9 22.2 70.5 2 1 A I E -a 28 0A 40 25,-2.5 27,-2.8 2,-0.0 2,-0.5 -0.968 360.0-148.6-120.4 128.0 19.6 22.0 69.4 3 2 A D E -a 29 0A 105 -2,-0.5 2,-0.5 25,-0.2 27,-0.2 -0.849 15.2-169.1 -95.1 130.5 20.6 21.1 65.9 4 3 A V E -a 30 0A 1 25,-2.7 27,-2.9 -2,-0.5 2,-0.3 -0.974 13.8-139.6-123.9 127.3 24.0 19.3 65.6 5 4 A L E -aB 31 16A 48 11,-3.0 11,-2.1 -2,-0.5 2,-0.8 -0.660 8.7-141.5 -84.0 136.0 25.8 18.6 62.3 6 5 A L E S+aB 32 15A 0 25,-2.9 27,-2.5 -2,-0.3 28,-1.9 -0.890 84.6 9.2 -94.7 102.4 27.5 15.3 61.9 7 6 A G S S- 0 0 0 7,-2.5 6,-0.2 -2,-0.8 9,-0.2 0.308 93.8 -97.7 93.8 131.5 30.6 16.4 60.1 8 7 A A > - 0 0 18 4,-2.3 3,-2.4 1,-0.1 -2,-0.0 -0.409 39.7-102.8 -72.6 160.5 31.7 20.0 59.6 9 8 A D T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.802 124.2 55.5 -52.7 -34.6 30.8 21.7 56.3 10 9 A D T 3 S- 0 0 122 24,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.373 125.1-102.1 -81.2 2.9 34.5 21.2 55.2 11 10 A G < + 0 0 31 -3,-2.4 -2,-0.1 1,-0.3 23,-0.0 0.395 68.1 154.5 93.0 -1.8 34.3 17.5 55.9 12 11 A S - 0 0 55 1,-0.1 -4,-2.3 -5,-0.1 2,-2.0 -0.342 54.1-114.6 -60.4 147.1 36.1 17.5 59.2 13 12 A L S S+ 0 0 58 -6,-0.2 2,-0.3 78,-0.1 -1,-0.1 -0.513 74.0 114.4 -87.4 77.3 35.1 14.6 61.4 14 13 A A - 0 0 31 -2,-2.0 -7,-2.5 79,-0.1 2,-0.4 -0.975 68.3-117.3-143.0 153.1 33.4 16.6 64.1 15 14 A F E -B 6 0A 4 79,-0.4 -9,-0.2 -2,-0.3 79,-0.1 -0.769 41.4-124.5 -83.0 138.0 30.1 17.2 65.8 16 15 A V E S+B 5 0A 61 -11,-2.1 -11,-3.0 -2,-0.4 2,-0.2 -0.905 103.2 20.3-131.0 108.5 29.1 20.9 65.2 17 16 A P S S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.593 83.5 179.1 -75.6 162.5 28.6 22.0 67.9 18 17 A S S S+ 0 0 49 1,-0.3 78,-2.4 -2,-0.2 2,-0.4 0.747 70.2 34.1 -99.3 -32.1 30.6 19.4 69.9 19 18 A E E S+d 96 0B 140 76,-0.2 2,-0.3 -4,-0.1 -1,-0.3 -0.988 75.1 148.5-125.9 127.5 30.1 20.7 73.4 20 19 A F E -d 97 0B 22 76,-2.0 78,-2.4 -2,-0.4 2,-0.4 -0.967 31.3-132.7-154.9 167.4 26.9 22.4 74.4 21 20 A S E +d 98 0B 76 -2,-0.3 2,-0.2 76,-0.2 78,-0.2 -0.942 28.1 147.2-131.0 146.2 24.6 23.0 77.4 22 21 A a E -d 99 0B 21 76,-2.8 78,-2.5 -2,-0.4 3,-0.0 -0.752 34.7-103.6-156.8-161.2 20.8 22.8 78.0 23 22 A S > - 0 0 69 76,-0.3 3,-2.1 -2,-0.2 52,-0.2 -0.792 55.3 -54.5-133.8 170.8 18.3 22.0 80.7 24 23 A P T 3 S+ 0 0 73 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.258 126.5 34.7 -54.5 133.5 15.9 19.1 81.5 25 24 A G T 3 S+ 0 0 54 50,-2.7 51,-0.2 1,-0.3 52,-0.0 0.297 84.4 163.6 100.8 -6.0 13.7 18.4 78.5 26 25 A a < - 0 0 12 -3,-2.1 49,-2.8 49,-0.3 2,-0.4 -0.187 21.8-158.4 -47.3 128.7 16.6 19.2 76.1 27 26 A K E - C 0 74A 109 47,-0.2 -25,-2.5 2,-0.0 2,-0.4 -0.937 7.7-170.9-115.1 133.8 16.0 17.9 72.6 28 27 A I E -aC 2 73A 0 45,-3.0 45,-2.6 -2,-0.4 2,-0.6 -0.980 8.6-163.2-124.7 133.1 18.9 17.4 70.2 29 28 A V E -aC 3 72A 24 -27,-2.8 -25,-2.7 -2,-0.4 2,-0.5 -0.958 9.0-160.0-116.1 111.2 18.6 16.6 66.5 30 29 A F E -aC 4 71A 0 41,-2.9 41,-1.9 -2,-0.6 2,-0.4 -0.809 11.7-167.2 -90.6 129.7 21.8 15.2 64.9 31 30 A K E -aC 5 70A 95 -27,-2.9 -25,-2.9 -2,-0.5 2,-0.2 -0.962 24.9-117.0-125.1 128.4 21.9 15.6 61.1 32 31 A N E +a 6 0A 1 37,-2.9 36,-2.7 -2,-0.4 -25,-0.1 -0.435 46.5 155.0 -61.7 125.4 24.3 13.9 58.7 33 32 A N - 0 0 15 -27,-2.5 2,-0.3 1,-0.4 -26,-0.2 0.763 56.1 -19.3-119.7 -53.4 26.3 16.7 57.0 34 33 A A S S+ 0 0 17 -28,-1.9 -1,-0.4 -22,-0.1 -24,-0.1 -0.989 113.1 33.9-162.0 148.7 29.6 15.5 55.7 35 34 A G S S- 0 0 36 -2,-0.3 -28,-0.1 1,-0.2 -3,-0.0 0.586 91.0-173.2 79.8 9.3 32.1 12.7 56.1 36 35 A F + 0 0 76 -30,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.223 59.0 92.0 -68.1 166.7 29.3 10.1 56.8 37 36 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 28,-0.2 0.334 69.2 156.0 -62.7 149.3 28.5 7.4 57.6 38 37 A H B -G 64 0C 0 26,-1.6 26,-3.0 -2,-0.2 2,-0.3 -0.927 21.4-173.4-135.9 163.6 28.3 8.6 61.2 39 38 A N - 0 0 0 -2,-0.3 2,-0.4 24,-0.2 49,-0.1 -0.875 21.2-125.7-144.6-176.2 26.5 7.5 64.3 40 39 A I + 0 0 0 -2,-0.3 18,-2.6 45,-0.1 2,-0.4 -0.962 28.2 176.7-137.1 116.3 25.9 8.8 67.9 41 40 A V B -E 84 0B 9 43,-3.1 43,-2.0 -2,-0.4 2,-0.5 -0.956 14.5-164.5-123.3 136.7 26.7 6.5 70.8 42 41 A F - 0 0 4 -2,-0.4 2,-0.3 16,-0.3 41,-0.2 -0.994 18.7-141.1-115.6 126.0 26.6 7.3 74.6 43 42 A D > - 0 0 59 -2,-0.5 3,-2.3 39,-0.4 39,-0.2 -0.677 16.1-126.8 -83.4 143.7 28.4 4.8 76.9 44 43 A E G > S+ 0 0 111 -2,-0.3 3,-1.1 1,-0.3 7,-0.2 0.846 109.4 55.6 -56.3 -36.8 26.6 4.0 80.2 45 44 A D G 3 S+ 0 0 134 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.488 106.0 52.5 -78.2 0.4 29.8 4.9 82.1 46 45 A S G < S+ 0 0 45 -3,-2.3 36,-2.6 36,-0.1 -1,-0.2 0.150 100.0 65.7-124.8 21.1 29.9 8.3 80.6 47 46 A I S < S- 0 0 16 -3,-1.1 34,-0.2 34,-0.2 3,-0.1 -0.846 96.8 -70.5-132.2 166.8 26.4 9.6 81.3 48 47 A P > - 0 0 23 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.129 60.0 -85.8 -60.3 154.1 24.6 10.3 84.6 49 48 A S T 3 S+ 0 0 119 1,-0.2 3,-0.1 -4,-0.1 -4,-0.0 -0.283 113.0 23.6 -54.4 137.2 23.6 7.6 87.1 50 49 A G T 3 S+ 0 0 77 1,-0.3 2,-0.5 -3,-0.1 -1,-0.2 0.520 88.3 126.4 82.9 3.5 20.2 6.1 86.4 51 50 A V < - 0 0 13 -3,-1.6 2,-0.8 -7,-0.2 -1,-0.3 -0.866 58.9-134.5 -96.0 129.4 20.2 7.0 82.7 52 51 A D > - 0 0 82 -2,-0.5 3,-1.4 1,-0.2 4,-0.4 -0.714 14.0-163.0 -80.3 108.4 19.5 4.1 80.4 53 52 A A G >> S+ 0 0 12 -2,-0.8 4,-1.5 1,-0.3 3,-1.4 0.834 85.0 64.3 -63.5 -32.9 22.0 4.5 77.6 54 53 A S G 34 S+ 0 0 89 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.685 97.7 56.5 -66.3 -18.3 20.1 2.2 75.3 55 54 A K G <4 S+ 0 0 169 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.608 118.7 29.1 -89.9 -12.7 17.2 4.6 75.2 56 55 A I T <4 S+ 0 0 17 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.466 108.6 78.2-118.5 -9.7 19.3 7.6 74.0 57 56 A S < - 0 0 22 -4,-1.5 -16,-0.2 -5,-0.1 2,-0.2 -0.736 69.8-127.8-108.3 149.7 22.0 5.9 72.0 58 57 A M - 0 0 19 -18,-2.6 -16,-0.3 -2,-0.3 2,-0.2 -0.573 44.2-100.5 -75.6 153.9 22.4 4.4 68.5 59 58 A S > - 0 0 53 -2,-0.2 3,-2.3 1,-0.1 -19,-0.1 -0.611 28.6-119.3 -71.7 145.1 23.8 0.9 68.6 60 59 A E T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.2 -19,-0.0 0.780 114.2 57.3 -56.3 -27.0 27.5 0.9 67.6 61 60 A E T 3 S+ 0 0 157 25,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.471 93.7 82.4 -80.8 -13.2 26.6 -1.3 64.7 62 61 A D < - 0 0 89 -3,-2.3 2,-0.3 2,-0.0 -4,-0.1 -0.808 58.7-172.4-100.5 150.9 24.1 1.1 63.2 63 62 A L - 0 0 68 -2,-0.3 2,-0.7 -24,-0.1 -24,-0.2 -0.944 31.0-127.7-140.9 150.7 24.9 4.1 61.0 64 63 A L B -G 38 0C 17 -26,-3.0 -26,-1.6 -2,-0.3 4,-0.1 -0.928 33.3-177.6 -94.4 116.3 23.4 7.1 59.3 65 64 A N + 0 0 94 -2,-0.7 2,-0.3 -28,-0.2 -1,-0.1 0.626 48.8 50.8 -95.3 -16.1 24.5 6.6 55.7 66 65 A A S > S- 0 0 40 1,-0.0 3,-2.0 -32,-0.0 -34,-0.2 -0.920 88.1 -87.1-131.7 151.7 23.2 9.6 53.7 67 66 A K T 3 S+ 0 0 137 -2,-0.3 -34,-0.2 1,-0.3 3,-0.1 -0.226 112.2 20.4 -50.5 137.6 23.2 13.4 53.9 68 67 A G T 3 S+ 0 0 38 -36,-2.7 -1,-0.3 1,-0.3 -35,-0.1 0.275 84.0 138.5 86.7 -10.8 20.3 14.7 55.9 69 68 A E < - 0 0 77 -3,-2.0 -37,-2.9 -38,-0.1 2,-0.3 -0.412 38.2-153.4 -67.7 147.5 19.6 11.5 57.9 70 69 A T E -C 31 0A 80 -39,-0.2 2,-0.4 -3,-0.1 -39,-0.2 -0.847 24.8-165.9-129.5 154.2 18.8 12.3 61.5 71 70 A F E -C 30 0A 45 -41,-1.9 -41,-2.9 -2,-0.3 2,-0.4 -0.977 20.3-152.6-137.4 127.1 18.9 10.9 65.0 72 71 A E E -C 29 0A 114 -2,-0.4 2,-0.4 -43,-0.2 -43,-0.2 -0.829 10.5-172.9-108.1 141.6 17.0 12.6 67.8 73 72 A V E -C 28 0A 3 -45,-2.6 -45,-3.0 -2,-0.4 2,-0.4 -0.988 6.6-165.3-130.8 139.9 17.7 12.5 71.5 74 73 A A E -C 27 0A 63 -2,-0.4 2,-0.4 -47,-0.2 -47,-0.2 -0.994 12.8-161.4-126.5 131.3 15.8 13.9 74.4 75 74 A L + 0 0 7 -49,-2.8 -50,-2.7 -2,-0.4 -49,-0.3 -0.883 23.2 160.8-114.8 149.7 17.4 14.3 77.8 76 75 A S + 0 0 71 -2,-0.4 -1,-0.1 -52,-0.2 -50,-0.1 0.657 51.4 80.5-124.5 -62.4 16.0 14.7 81.3 77 76 A N S S- 0 0 68 1,-0.1 22,-0.2 -53,-0.1 -1,-0.1 -0.187 78.7-117.3 -58.2 138.2 18.5 13.9 84.1 78 77 A K + 0 0 135 22,-0.1 2,-0.3 20,-0.1 22,-0.2 -0.403 68.3 68.4 -70.7 150.9 20.9 16.7 85.0 79 78 A G E S- F 0 99B 26 20,-2.5 20,-2.8 -2,-0.1 2,-0.4 -0.818 83.8 -44.1 136.9-172.0 24.6 16.0 84.5 80 79 A E E - 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