==== 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 ELECTRON TRANSPORT 02-APR-02 1J5D . COMPND 2 MOLECULE: PLASTOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6803; . AUTHOR I.BERTINI,S.CIURLI,A.DIKIY,C.O.FERNANDEZ,C.LUCHINAT, . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 22.4 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 . 15 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 6.1 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+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 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 . 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 106 0, 0.0 23,-0.4 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 134.2 4.2 -8.0 14.1 2 2 A N - 0 0 88 21,-0.1 2,-0.2 25,-0.1 27,-0.2 -0.370 360.0-132.6 -73.7 162.7 2.5 -6.6 11.1 3 3 A A E -a 29 0A 13 25,-2.2 27,-1.9 -2,-0.1 2,-0.3 -0.709 19.5-161.7-107.6 167.1 4.2 -4.1 8.8 4 4 A T E -a 30 0A 68 -2,-0.2 2,-0.3 25,-0.2 27,-0.2 -0.993 10.0-169.5-148.7 153.8 2.8 -0.8 7.5 5 5 A V E -a 31 0A 4 25,-1.9 27,-2.2 -2,-0.3 2,-0.4 -0.950 20.7-130.8-136.4 151.9 3.4 1.7 4.8 6 6 A K E -aB 32 17A 80 11,-1.7 2,-1.9 -2,-0.3 11,-0.9 -0.926 26.1-117.8-110.5 131.9 1.9 5.2 4.2 7 7 A M S S- 0 0 4 25,-2.9 28,-1.5 -2,-0.4 27,-0.5 -0.503 88.3 -7.8 -73.1 84.8 0.6 6.1 0.7 8 8 A G S S- 0 0 0 -2,-1.9 6,-0.2 6,-0.2 8,-0.1 0.087 95.4 -70.1 101.8 148.7 2.9 9.0 -0.1 9 9 A S B >> -D 13 0B 10 4,-2.0 3,-2.4 6,-0.4 4,-1.0 -0.392 43.9-112.6 -73.9 146.1 5.5 10.9 2.0 10 10 A D T 34 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.842 116.1 57.6 -39.2 -54.2 4.4 13.2 4.9 11 11 A S T 34 S- 0 0 126 1,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.710 129.5 -92.1 -54.5 -26.7 5.6 16.3 3.1 12 12 A G T <4 S+ 0 0 37 -3,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.783 78.0 137.8 104.5 62.3 3.3 15.5 0.1 13 13 A A B < -D 9 0B 40 -4,-1.0 -4,-2.0 2,-0.2 -1,-0.2 -0.939 55.1-126.2-132.2 154.1 5.4 13.4 -2.3 14 14 A L S S+ 0 0 42 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 0.919 74.1 104.1 -66.6 -49.9 4.4 10.2 -4.2 15 15 A V S S- 0 0 89 -7,-0.1 -6,-0.4 1,-0.1 -2,-0.2 -0.009 72.9-123.1 -46.0 130.7 7.2 7.8 -3.2 16 16 A F - 0 0 11 76,-0.4 3,-0.2 -8,-0.1 -9,-0.1 -0.517 27.0-123.1 -71.4 145.9 6.0 5.3 -0.6 17 17 A E B S+B 6 0A 107 -11,-0.9 -11,-1.7 1,-0.3 2,-0.1 -0.998 99.1 25.8-134.8 138.1 7.9 5.1 2.7 18 18 A P S S- 0 0 71 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.660 83.0-164.6 -64.9 142.0 9.2 2.7 3.8 19 19 A S S S+ 0 0 68 -3,-0.2 75,-1.6 1,-0.2 2,-0.3 0.834 79.2 22.8 -69.9 -33.5 9.5 1.6 0.1 20 20 A T E S+e 94 0C 57 73,-0.2 2,-0.3 -4,-0.0 75,-0.2 -0.978 73.3 174.8-125.6 145.2 10.2 -2.0 1.2 21 21 A V E -e 95 0C 20 73,-0.5 75,-2.0 -2,-0.3 2,-0.3 -0.918 25.5-124.1-137.3 160.8 9.2 -3.6 4.6 22 22 A T E +e 96 0C 100 -2,-0.3 2,-0.3 73,-0.2 75,-0.2 -0.802 30.2 171.6-111.7 153.4 9.5 -7.1 5.9 23 23 A I E -e 97 0C 5 73,-1.4 75,-2.2 -2,-0.3 2,-0.2 -0.918 29.3-103.4-154.2 157.2 6.6 -9.1 7.3 24 24 A K > - 0 0 115 -23,-0.4 3,-2.3 -2,-0.3 2,-0.6 -0.651 44.4 -85.0 -97.1 159.8 6.1 -12.7 8.4 25 25 A A T 3 S+ 0 0 54 1,-0.3 49,-0.3 -2,-0.2 50,-0.1 -0.438 122.4 8.4 -56.6 102.4 4.3 -15.7 6.7 26 26 A G T 3 S+ 0 0 41 47,-2.9 -1,-0.3 -2,-0.6 48,-0.2 0.264 104.0 118.9 98.2 -4.7 0.6 -15.0 7.7 27 27 A E < - 0 0 54 -3,-2.3 46,-2.0 46,-0.4 -1,-0.4 -0.295 60.9-114.6 -73.6 172.1 1.3 -11.6 9.3 28 28 A E E - C 0 72A 78 44,-0.2 -25,-2.2 -3,-0.1 2,-0.4 -0.674 12.6-150.8-101.8 161.7 -0.4 -8.5 7.8 29 29 A V E -aC 3 71A 0 42,-2.3 42,-1.9 -2,-0.2 2,-0.4 -0.984 14.5-159.1-117.4 142.9 0.6 -5.3 6.1 30 30 A K E -aC 4 70A 87 -27,-1.9 -25,-1.9 -2,-0.4 2,-0.5 -0.977 2.1-157.0-111.3 134.5 -1.6 -2.2 6.5 31 31 A W E -aC 5 69A 3 38,-2.6 38,-2.1 -2,-0.4 2,-0.5 -0.953 9.5-157.0-105.8 129.2 -1.4 0.7 4.0 32 32 A V E -a 6 0A 57 -27,-2.2 -25,-2.9 -2,-0.5 2,-0.9 -0.916 19.0-125.2-106.9 126.9 -2.6 4.1 5.4 33 33 A N + 0 0 4 -2,-0.5 3,-0.1 -27,-0.2 -25,-0.1 -0.604 40.2 163.5 -73.9 102.5 -3.8 6.8 3.0 34 34 A N - 0 0 40 -2,-0.9 2,-0.3 -27,-0.5 -1,-0.2 0.959 52.4 -53.5 -79.5 -74.2 -1.7 9.8 3.7 35 35 A K S S+ 0 0 134 -28,-1.5 -1,-0.3 1,-0.2 -23,-0.1 -0.925 94.5 81.0-166.2 174.0 -2.0 12.2 0.7 36 36 A L S S- 0 0 53 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.938 81.9-135.6 68.4 57.6 -1.8 12.5 -3.1 37 37 A S S S+ 0 0 66 26,-0.1 26,-0.2 -3,-0.1 -1,-0.1 -0.475 74.9 56.5 -77.1 158.0 -5.2 11.0 -3.7 38 38 A P + 0 0 69 0, 0.0 2,-0.4 0, 0.0 25,-0.2 0.600 69.6 172.4 -76.4 146.3 -6.6 9.0 -5.4 39 39 A H E +H 62 0D 1 23,-2.9 23,-2.5 -2,-0.1 2,-0.3 -0.945 13.7 179.5-109.7 146.4 -4.3 6.0 -4.6 40 40 A N E - 0 0 28 -2,-0.4 2,-0.3 21,-0.2 19,-0.2 -0.763 18.3-149.2-116.6 171.5 -4.8 2.3 -5.6 41 41 A I E -H 58 0D 4 17,-1.8 17,-1.3 19,-0.4 2,-0.4 -0.759 20.5-174.6-140.0 88.1 -2.2 -0.3 -4.5 42 42 A V E -F 82 0C 21 40,-2.9 40,-2.5 -2,-0.3 2,-0.4 -0.773 11.0-149.0 -95.4 132.0 -2.2 -2.9 -7.3 43 43 A F E -F 81 0C 9 -2,-0.4 2,-0.4 10,-0.3 38,-0.2 -0.853 9.2-133.0-107.5 133.1 -0.1 -6.1 -6.8 44 44 A A E -F 80 0C 32 36,-2.4 2,-2.4 -2,-0.4 36,-0.5 -0.709 9.4-137.6 -88.7 133.1 1.6 -8.0 -9.6 45 45 A A + 0 0 55 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.442 58.1 142.5 -76.9 61.6 1.2 -11.8 -9.7 46 46 A D S S- 0 0 140 -2,-2.4 -1,-0.2 1,-0.2 33,-0.1 0.984 79.9 -7.3 -83.7 -58.0 4.9 -11.7 -10.6 47 47 A G S S+ 0 0 71 -3,-0.3 2,-0.3 31,-0.3 -1,-0.2 -0.170 129.2 74.7-121.8 32.6 6.5 -14.7 -8.9 48 48 A V S S- 0 0 13 29,-0.1 31,-0.0 -4,-0.0 29,-0.0 -0.976 90.7 -82.9-145.9 153.0 3.3 -15.5 -7.0 49 49 A D > - 0 0 104 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.084 33.2-120.5 -61.3 155.0 -0.1 -17.1 -7.9 50 50 A A H > S+ 0 0 65 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.948 109.6 47.0 -60.6 -57.8 -3.0 -15.1 -9.5 51 51 A D H > S+ 0 0 141 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.937 116.3 44.5 -52.2 -55.6 -5.6 -15.7 -6.7 52 52 A T H > S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.963 116.6 45.7 -51.9 -57.3 -3.2 -14.8 -3.9 53 53 A A H X S+ 0 0 3 -4,-2.8 4,-1.7 1,-0.2 -10,-0.3 0.851 113.3 52.0 -57.6 -34.7 -1.9 -11.8 -5.8 54 54 A A H < S+ 0 0 64 -4,-3.0 5,-0.2 2,-0.2 -1,-0.2 0.937 110.1 46.1 -69.1 -47.0 -5.5 -10.8 -6.6 55 55 A K H < S+ 0 0 192 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 118.3 44.0 -61.7 -41.9 -6.6 -11.0 -2.9 56 56 A L H < S+ 0 0 6 -4,-2.8 2,-1.0 -5,-0.2 -1,-0.2 0.746 94.2 95.2 -71.1 -26.5 -3.5 -9.0 -2.0 57 57 A S S < S- 0 0 17 -4,-1.7 2,-1.9 -5,-0.3 -15,-0.2 -0.545 73.0-144.5 -73.7 103.8 -4.0 -6.6 -4.9 58 58 A H E +H 41 0D 22 -17,-1.3 -17,-1.8 -2,-1.0 -1,-0.1 -0.485 29.2 169.3 -72.2 92.6 -6.0 -3.6 -3.6 59 59 A K E + 0 0 175 -2,-1.9 -1,-0.2 -5,-0.2 -17,-0.1 0.473 47.6 120.7 -68.2 -6.8 -8.2 -2.7 -6.4 60 60 A G E - 0 0 31 -19,-0.2 2,-0.5 -3,-0.1 -19,-0.4 -0.225 64.9-135.1 -56.2 156.2 -9.6 -0.6 -3.6 61 61 A L E - 0 0 91 -21,-0.1 2,-0.7 -23,-0.0 -21,-0.2 -0.894 17.9-164.1-132.2 90.3 -9.6 3.2 -4.3 62 62 A A E +H 39 0D 0 -23,-2.5 -23,-2.9 -2,-0.5 3,-0.1 -0.752 33.8 135.9 -90.5 112.6 -8.3 5.3 -1.4 63 63 A F + 0 0 136 -2,-0.7 2,-0.2 -25,-0.2 -1,-0.2 0.685 54.9 76.8-111.8 -47.9 -9.0 9.1 -1.6 64 64 A A S > S- 0 0 54 1,-0.1 2,-1.4 -29,-0.0 3,-1.0 -0.457 86.3-122.3 -71.4 126.8 -10.2 10.0 2.0 65 65 A A T 3 S+ 0 0 80 -2,-0.2 -1,-0.1 1,-0.2 -31,-0.1 -0.546 100.7 48.4 -70.8 91.0 -7.2 10.2 4.4 66 66 A G T 3 S+ 0 0 50 -2,-1.4 2,-1.3 1,-0.2 -1,-0.2 -0.048 74.4 99.4 169.1 -50.8 -8.5 7.6 6.9 67 67 A E < - 0 0 117 -3,-1.0 -1,-0.2 -35,-0.1 -34,-0.1 -0.489 52.9-179.3 -71.3 96.2 -9.6 4.5 4.9 68 68 A S - 0 0 51 -2,-1.3 2,-0.3 -36,-0.1 -36,-0.2 -0.455 13.1-145.1 -78.7 167.2 -6.6 2.2 5.4 69 69 A F E -C 31 0A 46 -38,-2.1 -38,-2.6 -2,-0.1 2,-0.3 -0.930 6.6-153.0-130.3 162.6 -6.5 -1.3 3.8 70 70 A T E -C 30 0A 62 -2,-0.3 2,-0.3 -40,-0.2 -40,-0.2 -0.937 9.1-176.6-131.5 152.2 -4.9 -4.6 5.0 71 71 A S E -C 29 0A 10 -42,-1.9 -42,-2.3 -2,-0.3 2,-0.4 -0.974 18.9-137.4-145.5 145.0 -3.6 -7.7 3.3 72 72 A T E -C 28 0A 59 -2,-0.3 2,-0.9 -44,-0.2 -44,-0.2 -0.919 7.8-149.5-103.0 134.2 -2.2 -11.1 4.7 73 73 A F + 0 0 0 -46,-2.0 -47,-2.9 -2,-0.4 -46,-0.4 -0.782 25.2 167.4-102.1 91.9 1.0 -12.6 3.2 74 74 A T + 0 0 98 -2,-0.9 -1,-0.2 -49,-0.3 -47,-0.1 0.927 60.0 62.2 -68.2 -45.7 0.4 -16.3 3.7 75 75 A E S S- 0 0 88 -50,-0.1 2,-1.7 1,-0.1 -49,-0.1 -0.663 89.5-119.5 -90.5 135.1 3.2 -17.5 1.4 76 76 A P S S+ 0 0 89 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.525 72.1 109.0 -75.5 84.9 6.9 -16.6 2.1 77 77 A G S S- 0 0 23 -2,-1.7 20,-2.9 -4,-0.0 2,-0.4 -0.474 72.4 -94.0-128.9-159.6 7.7 -14.7 -1.1 78 78 A T E - G 0 96C 72 18,-0.2 2,-0.4 -2,-0.2 -31,-0.3 -0.991 35.0-159.8-123.0 135.5 8.3 -11.1 -2.3 79 79 A Y E - G 0 95C 1 16,-2.4 16,-2.2 -2,-0.4 2,-0.4 -0.927 1.2-158.4-116.3 142.4 5.3 -9.1 -3.6 80 80 A T E -FG 44 94C 58 -36,-0.5 -36,-2.4 -2,-0.4 2,-0.3 -0.943 13.4-178.2-123.4 142.0 5.7 -6.0 -5.8 81 81 A Y E +FG 43 93C 2 12,-2.5 12,-1.1 -2,-0.4 2,-0.3 -0.946 7.4 178.1-147.0 158.8 3.0 -3.3 -6.2 82 82 A Y E -F 42 0C 110 -40,-2.5 -40,-2.9 -2,-0.3 2,-0.2 -0.886 32.1-118.2-158.7 172.8 2.3 -0.1 -8.1 83 83 A C > - 0 0 9 -2,-0.3 3,-2.6 -42,-0.2 7,-0.1 -0.576 26.5-170.3-132.1 63.8 -0.3 2.6 -8.6 84 84 A E T 3 S+ 0 0 134 1,-0.3 4,-0.4 -2,-0.2 -1,-0.2 0.678 81.2 37.4 -23.0 -68.3 -1.3 2.6 -12.3 85 85 A P T 3 S+ 0 0 84 0, 0.0 2,-2.5 0, 0.0 -1,-0.3 0.598 86.7 108.1 -73.4 -10.8 -3.4 5.8 -12.7 86 86 A H S < S- 0 0 24 -3,-2.6 3,-0.5 1,-0.2 4,-0.3 -0.339 93.9 -86.8 -83.5 67.8 -1.2 7.9 -10.3 87 87 A R - 0 0 228 -2,-2.5 2,-2.3 1,-0.2 -1,-0.2 0.776 59.9 -75.8 41.1 67.7 0.5 10.2 -12.8 88 88 A G S S+ 0 0 84 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.019 92.4 110.8 78.7 -38.2 3.7 8.8 -14.3 89 89 A A S S- 0 0 77 -2,-2.3 -1,-0.2 -3,-0.5 -2,-0.1 0.830 84.3-102.4 -59.9 -46.8 6.3 9.1 -11.6 90 90 A G - 0 0 46 -4,-0.3 2,-2.3 -7,-0.1 -1,-0.1 0.624 27.2-157.7 116.9 72.1 7.0 5.4 -10.6 91 91 A M + 0 0 11 -5,-0.1 2,-0.3 -76,-0.1 -8,-0.1 -0.476 29.2 176.5 -76.7 70.7 5.2 4.5 -7.4 92 92 A V + 0 0 114 -2,-2.3 -76,-0.4 -10,-0.1 2,-0.3 -0.633 11.3 141.1 -76.5 133.7 7.6 1.5 -6.7 93 93 A G E - G 0 81C 6 -12,-1.1 -12,-2.5 -2,-0.3 2,-0.3 -0.931 20.1-174.1-162.2 157.4 7.4 -0.6 -3.6 94 94 A K E -eG 20 80C 108 -75,-1.6 -73,-0.5 -2,-0.3 2,-0.3 -0.984 15.9-139.3-150.4 142.4 7.7 -4.3 -2.7 95 95 A V E -eG 21 79C 0 -16,-2.2 -16,-2.4 -2,-0.3 2,-0.4 -0.803 11.6-152.6-106.8 148.3 7.2 -6.3 0.5 96 96 A V E -eG 22 78C 51 -75,-2.0 -73,-1.4 -2,-0.3 -18,-0.2 -0.981 13.8-143.8-124.5 117.9 9.6 -9.2 1.6 97 97 A V E e 23 0C 19 -20,-2.9 -73,-0.2 -2,-0.4 -23,-0.0 -0.567 360.0 360.0 -92.2 152.5 8.2 -12.1 3.7 98 98 A D 0 0 117 -75,-2.2 -74,-0.3 -2,-0.2 -1,-0.1 0.636 360.0 360.0-114.2 360.0 9.9 -14.1 6.5