==== 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 07-SEP-01 1JXD . COMPND 2 MOLECULE: PLASTOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6803; . AUTHOR I.BERTINI,D.A.BRYANT,S.CIURLI,A.DIKIY,C.O.FERNANDEZ, . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 11.2 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 . 1 1.0 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 . 17 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 5.1 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 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 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 A 0 0 110 0, 0.0 2,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 99.5 -4.3 14.4 -7.8 2 2 A N - 0 0 58 1,-0.1 27,-0.2 21,-0.1 2,-0.1 -0.405 360.0-117.6 -73.6 146.9 -3.4 11.0 -6.4 3 3 A A E -a 29 0A 23 25,-0.8 27,-2.7 -2,-0.1 2,-0.4 -0.480 26.4-141.9 -72.9 154.5 -0.7 10.4 -3.9 4 4 A T E -a 30 0A 77 25,-0.2 2,-0.3 -2,-0.1 27,-0.2 -0.986 18.7-177.4-126.0 117.0 2.2 8.1 -5.1 5 5 A V E -a 31 0A 0 25,-2.4 27,-2.1 -2,-0.4 2,-0.4 -0.754 15.9-142.3-102.0 156.5 3.8 5.6 -2.7 6 6 A K E -aB 32 17A 53 11,-2.6 2,-2.0 -2,-0.3 11,-1.5 -0.992 13.5-133.4-120.9 132.2 6.7 3.3 -3.7 7 7 A M E S-aB 33 16A 3 25,-2.8 27,-0.7 -2,-0.4 28,-0.6 -0.537 86.9 -7.7 -77.7 72.7 7.0 -0.3 -2.4 8 8 A G S S- 0 0 1 -2,-2.0 6,-0.2 7,-1.4 9,-0.1 -0.147 97.4 -66.7 117.0 149.2 10.7 0.0 -1.5 9 9 A S - 0 0 18 4,-3.0 2,-2.4 1,-0.1 4,-0.3 -0.430 47.1-115.4 -61.9 140.9 13.4 2.7 -1.9 10 10 A D S S+ 0 0 104 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.522 112.4 47.5 -74.7 69.6 14.4 3.2 -5.5 11 11 A S S S- 0 0 113 -2,-2.4 -1,-0.2 2,-0.1 0, 0.0 -0.191 126.7 -66.5-170.0 -79.2 17.9 2.0 -4.4 12 12 A G S S+ 0 0 47 1,-0.2 2,-0.3 23,-0.1 -2,-0.1 0.254 89.3 102.7 167.9 48.0 17.6 -1.2 -2.4 13 13 A A - 0 0 48 -4,-0.3 -4,-3.0 2,-0.1 2,-1.4 -0.988 65.6-124.9-136.9 129.9 15.9 -1.0 1.1 14 14 A L + 0 0 61 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.1 -0.610 55.4 136.6 -80.6 94.8 12.4 -2.2 1.7 15 15 A V - 0 0 68 -2,-1.4 -7,-1.4 76,-0.1 2,-0.6 -0.990 54.9-125.1-131.1 139.4 10.6 0.8 3.2 16 16 A F E -B 7 0A 7 76,-0.5 -9,-0.2 -2,-0.3 76,-0.1 -0.808 39.1-139.6 -79.0 120.2 7.1 2.1 2.2 17 17 A E E S+B 6 0A 99 -11,-1.5 -11,-2.6 -2,-0.6 2,-0.1 -0.999 88.6 29.7-135.4 130.6 7.6 5.7 1.3 18 18 A P S S- 0 0 59 0, 0.0 -1,-0.3 0, 0.0 76,-0.1 0.532 83.1-166.2 -64.3 137.1 5.7 8.0 2.0 19 19 A S S S+ 0 0 70 1,-0.2 75,-2.5 74,-0.1 2,-0.3 0.633 77.5 30.8 -71.8 -17.5 5.0 5.8 5.1 20 20 A T E S-d 94 0B 79 73,-0.2 2,-0.3 2,-0.0 75,-0.2 -0.964 73.0-175.8-143.3 127.4 2.0 7.9 5.9 21 21 A V E -d 95 0B 11 73,-1.3 75,-2.4 -2,-0.3 2,-0.4 -0.939 11.6-159.8-123.3 146.9 -0.2 9.7 3.3 22 22 A T E +d 96 0B 97 -2,-0.3 2,-0.3 73,-0.2 75,-0.2 -0.994 27.7 151.5-127.2 116.3 -3.1 12.1 3.8 23 23 A I E -d 97 0B 18 73,-1.2 75,-2.8 -2,-0.4 2,-0.2 -0.876 42.3 -80.7-142.8 171.3 -5.5 12.6 0.8 24 24 A K > - 0 0 142 -2,-0.3 3,-2.3 74,-0.2 2,-0.3 -0.495 42.9 -96.6 -91.4 149.5 -9.1 13.4 0.2 25 25 A A T 3 S+ 0 0 50 1,-0.3 49,-0.3 -2,-0.2 -1,-0.1 -0.357 113.5 23.5 -55.2 111.8 -12.3 11.3 0.4 26 26 A G T 3 S+ 0 0 52 47,-2.2 -1,-0.3 1,-0.5 48,-0.2 0.035 100.3 103.9 113.3 -21.3 -13.1 10.2 -3.2 27 27 A E < - 0 0 54 -3,-2.3 46,-2.2 46,-0.5 -1,-0.5 -0.201 63.4-128.0 -77.2 178.5 -9.6 10.6 -4.6 28 28 A E E - C 0 72A 67 44,-0.2 -25,-0.8 -3,-0.1 2,-0.3 -0.718 7.5-141.9-122.1 171.4 -7.3 7.6 -5.3 29 29 A V E -aC 3 71A 0 42,-2.2 42,-2.4 -27,-0.2 2,-0.3 -0.994 11.3-150.6-138.4 136.4 -3.7 6.6 -4.5 30 30 A K E -aC 4 70A 68 -27,-2.7 -25,-2.4 -2,-0.3 2,-0.4 -0.783 2.9-155.4-102.0 149.7 -1.1 4.8 -6.7 31 31 A W E -aC 5 69A 1 38,-2.4 38,-1.5 -2,-0.3 2,-0.4 -0.975 8.1-149.0-119.3 143.4 1.8 2.5 -5.6 32 32 A V E -aC 6 68A 50 -27,-2.1 -25,-2.8 -2,-0.4 2,-0.2 -0.921 12.5-133.6-109.1 131.6 4.9 1.9 -7.7 33 33 A N E +a 7 0A 7 34,-1.7 -25,-0.1 -2,-0.4 30,-0.1 -0.624 36.7 155.8 -77.5 145.1 6.8 -1.4 -7.7 34 34 A N - 0 0 33 -27,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.445 45.7 -34.1-132.3 -88.5 10.7 -1.0 -7.3 35 35 A K S S+ 0 0 129 -28,-0.6 -1,-0.3 -26,-0.1 -23,-0.1 -0.865 100.1 54.6-145.6 170.0 13.0 -3.7 -5.9 36 36 A L S S- 0 0 73 -2,-0.3 -1,-0.1 1,-0.2 -24,-0.0 0.819 92.5-148.2 64.3 33.9 13.2 -6.5 -3.3 37 37 A S + 0 0 61 -3,-0.1 -1,-0.2 26,-0.1 2,-0.1 -0.283 65.5 69.0 -71.0 160.6 10.1 -8.0 -4.9 38 38 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.528 61.8 151.9 -73.1 152.4 7.6 -9.6 -4.5 39 39 A H - 0 0 0 23,-0.4 23,-1.4 -2,-0.1 2,-0.3 -0.934 20.0-170.8-126.3 159.4 5.7 -7.1 -2.5 40 40 A N - 0 0 4 -2,-0.3 2,-0.6 21,-0.1 19,-0.2 -0.857 25.2-127.0-130.7 169.6 1.9 -6.8 -2.2 41 41 A I B +G 58 0C 0 17,-1.5 17,-2.7 -2,-0.3 2,-0.6 -0.923 34.0 178.5-119.4 97.3 -0.1 -4.0 -0.6 42 42 A V E -E 82 0B 12 40,-3.0 40,-2.0 -2,-0.6 2,-0.6 -0.923 17.0-147.8-113.4 111.7 -2.5 -5.8 1.8 43 43 A F E -E 81 0B 13 -2,-0.6 2,-0.3 10,-0.4 38,-0.2 -0.732 3.5-150.2 -83.0 120.3 -4.8 -3.6 3.9 44 44 A A E -E 80 0B 28 36,-2.4 2,-2.6 -2,-0.6 36,-1.0 -0.625 34.0-109.2 -75.2 146.1 -5.7 -4.8 7.3 45 45 A A - 0 0 52 -2,-0.3 2,-2.4 34,-0.1 5,-0.1 -0.456 49.6-179.6 -74.6 67.3 -9.2 -3.5 8.3 46 46 A D S S- 0 0 77 -2,-2.6 32,-0.1 1,-0.2 3,-0.1 -0.412 73.1 -40.5 -86.5 66.8 -7.3 -1.3 10.8 47 47 A G S S+ 0 0 82 -2,-2.4 -1,-0.2 1,-0.5 32,-0.1 -0.246 125.5 96.5 103.3 -39.9 -10.4 0.4 12.3 48 48 A V S S- 0 0 17 30,-0.8 -1,-0.5 -4,-0.2 29,-0.1 -0.278 87.9 -77.4 -77.6 168.0 -12.0 0.7 8.9 49 49 A D > - 0 0 106 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.243 32.9-121.9 -73.6 152.6 -14.6 -1.8 7.6 50 50 A A H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.932 108.0 49.5 -57.1 -54.7 -13.7 -5.2 6.2 51 51 A D H > S+ 0 0 133 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.904 113.7 45.1 -58.4 -47.7 -15.3 -4.7 2.7 52 52 A T H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.970 113.6 49.7 -62.9 -49.5 -13.6 -1.4 2.1 53 53 A A H X S+ 0 0 2 -4,-2.5 4,-0.9 1,-0.2 -10,-0.4 0.891 112.7 49.6 -53.6 -41.5 -10.2 -2.7 3.4 54 54 A A H >< S+ 0 0 64 -4,-2.7 3,-1.2 2,-0.2 -2,-0.2 0.968 111.4 45.5 -62.7 -55.7 -10.6 -5.7 1.1 55 55 A K H 3< S+ 0 0 192 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.844 113.6 50.9 -61.7 -35.4 -11.5 -3.7 -2.1 56 56 A L H 3< S+ 0 0 9 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.656 96.9 94.1 -72.4 -19.6 -8.6 -1.3 -1.4 57 57 A S << - 0 0 25 -3,-1.2 2,-0.4 -4,-0.9 -15,-0.2 -0.385 61.8-153.5 -74.0 158.7 -6.2 -4.3 -0.9 58 58 A H B +G 41 0C 35 -17,-2.7 -17,-1.5 -2,-0.1 -3,-0.1 -0.882 21.0 170.1-132.9 98.6 -4.0 -5.7 -3.7 59 59 A K + 0 0 141 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.1 0.199 43.8 127.7 -85.8 13.2 -3.1 -9.4 -3.3 60 60 A G - 0 0 37 -19,-0.1 2,-0.5 1,-0.1 -19,-0.2 -0.577 66.8-123.0 -68.8 129.3 -1.7 -9.1 -6.9 61 61 A L - 0 0 104 -2,-0.3 2,-1.0 -21,-0.1 -21,-0.1 -0.669 21.9-148.7 -78.6 119.7 1.9 -10.3 -7.0 62 62 A A + 0 0 1 -23,-1.4 -23,-0.4 -2,-0.5 -1,-0.1 -0.734 40.1 143.4 -99.7 93.8 4.1 -7.5 -8.3 63 63 A F + 0 0 146 -2,-1.0 2,-0.3 -25,-0.1 -1,-0.2 0.850 47.2 84.4 -96.0 -42.4 7.0 -8.9 -10.3 64 64 A A S > S- 0 0 55 1,-0.1 2,-2.0 2,-0.0 3,-1.9 -0.494 77.1-131.9 -73.7 127.1 7.5 -6.4 -13.1 65 65 A A T 3 S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 -31,-0.1 -0.585 107.0 46.3 -69.5 80.5 9.5 -3.3 -12.4 66 66 A G T 3 S+ 0 0 58 -2,-2.0 -1,-0.3 1,-0.4 2,-0.0 0.042 79.3 116.5 162.7 -32.7 6.7 -1.3 -14.0 67 67 A E < + 0 0 103 -3,-1.9 -34,-1.7 -35,-0.1 -1,-0.4 -0.364 39.2 177.8 -67.9 139.7 3.6 -2.7 -12.4 68 68 A S E -C 32 0A 56 -36,-0.2 2,-0.3 -3,-0.1 -36,-0.2 -0.971 14.5-147.1-143.8 149.3 1.7 -0.2 -10.3 69 69 A F E -C 31 0A 28 -38,-1.5 -38,-2.4 -2,-0.3 2,-0.3 -0.796 3.8-153.2-118.9 158.7 -1.6 -0.4 -8.3 70 70 A T E -C 30 0A 74 -2,-0.3 2,-0.3 -40,-0.2 -40,-0.2 -0.997 5.9-168.6-137.3 140.9 -4.3 2.1 -7.5 71 71 A S E -C 29 0A 5 -42,-2.4 -42,-2.2 -2,-0.3 2,-0.6 -0.956 22.2-127.9-129.6 141.8 -6.8 2.1 -4.6 72 72 A T E -C 28 0A 79 -2,-0.3 2,-1.4 -44,-0.2 3,-0.3 -0.846 13.5-158.4 -99.5 113.5 -9.9 4.4 -4.3 73 73 A F + 0 0 0 -46,-2.2 -47,-2.2 -2,-0.6 -46,-0.5 -0.514 41.6 137.1 -94.1 63.2 -9.9 6.3 -0.9 74 74 A T + 0 0 72 -2,-1.4 -1,-0.2 -49,-0.3 -47,-0.1 0.985 52.2 66.9 -70.5 -63.2 -13.6 7.0 -0.8 75 75 A E S S- 0 0 100 -3,-0.3 2,-0.2 -50,-0.1 22,-0.2 -0.486 86.3-126.3 -71.6 121.5 -14.4 6.2 2.9 76 76 A P + 0 0 80 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.477 68.0 85.3 -65.4 130.8 -12.8 8.8 5.3 77 77 A G E S- F 0 97B 25 20,-1.2 20,-2.7 -2,-0.2 2,-0.5 -0.961 80.6 -58.4 159.7 179.2 -10.8 6.7 7.8 78 78 A T E - F 0 96B 49 -2,-0.3 -30,-0.8 18,-0.2 2,-0.4 -0.871 37.9-177.2 -98.1 125.0 -7.5 4.9 8.6 79 79 A Y E - F 0 95B 0 16,-1.8 16,-2.3 -2,-0.5 2,-0.5 -0.991 9.7-161.6-115.0 127.7 -6.3 2.1 6.2 80 80 A T E -EF 44 94B 18 -36,-1.0 -36,-2.4 -2,-0.4 2,-0.3 -0.969 11.4-169.5-114.6 118.7 -3.0 0.4 7.4 81 81 A Y E +EF 43 93B 0 12,-1.8 12,-2.8 -2,-0.5 2,-0.3 -0.817 11.2 164.8-109.7 146.1 -1.2 -1.6 4.7 82 82 A Y E -EF 42 92B 62 -40,-2.0 -40,-3.0 -2,-0.3 2,-0.3 -0.845 39.7 -94.3-141.4-179.6 1.6 -4.0 4.9 83 83 A C - 0 0 0 8,-1.0 4,-0.4 -2,-0.3 -42,-0.1 -0.752 26.8-134.9 -90.4 145.2 3.4 -6.6 2.8 84 84 A E S > S+ 0 0 87 -2,-0.3 3,-0.8 2,-0.2 4,-0.2 0.986 105.2 33.4 -63.5 -58.9 2.3 -10.3 3.2 85 85 A P T 3 S+ 0 0 82 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.963 128.9 36.9 -61.5 -51.7 5.9 -11.6 3.4 86 86 A H T > >S+ 0 0 49 1,-0.2 3,-2.2 2,-0.1 5,-1.2 0.298 82.2 123.3 -88.4 13.2 7.5 -8.6 5.1 87 87 A R T < 5S+ 0 0 150 -3,-0.8 3,-0.3 -4,-0.4 -1,-0.2 0.810 85.8 24.5 -37.3 -58.3 4.4 -8.0 7.3 88 88 A G T 3 5S+ 0 0 81 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.186 99.9 90.2-101.6 13.9 6.3 -8.2 10.7 89 89 A A T < 5S- 0 0 75 -3,-2.2 -1,-0.2 2,-0.2 -2,-0.1 0.217 115.3 -93.7 -91.2 11.9 9.7 -7.2 9.3 90 90 A G T 5S+ 0 0 71 -3,-0.3 2,-1.1 1,-0.2 -3,-0.1 0.440 89.8 130.9 85.9 3.4 9.0 -3.5 10.0 91 91 A M < + 0 0 2 -5,-1.2 -8,-1.0 -76,-0.1 2,-0.3 -0.771 32.7 123.0 -90.0 98.0 7.7 -3.0 6.4 92 92 A V E - F 0 82B 61 -2,-1.1 -76,-0.5 -10,-0.2 2,-0.3 -0.957 36.2-167.5-146.6 160.7 4.3 -1.3 6.9 93 93 A G E - F 0 81B 3 -12,-2.8 -12,-1.8 -2,-0.3 2,-0.3 -0.943 11.0-141.0-146.3 165.5 2.6 2.0 5.8 94 94 A K E -dF 20 80B 94 -75,-2.5 -73,-1.3 -2,-0.3 2,-0.4 -0.916 3.6-155.2-133.5 150.9 -0.5 3.9 6.8 95 95 A V E -dF 21 79B 1 -16,-2.3 -16,-1.8 -2,-0.3 2,-0.5 -0.997 2.8-167.7-129.2 135.0 -3.3 5.9 5.1 96 96 A V E -dF 22 78B 53 -75,-2.4 -73,-1.2 -2,-0.4 2,-0.5 -0.939 11.6-160.3-119.5 99.6 -5.4 8.7 6.5 97 97 A V E dF 23 77B 7 -20,-2.7 -20,-1.2 -2,-0.5 -73,-0.2 -0.762 360.0 360.0 -79.0 125.5 -8.3 9.5 4.1 98 98 A D 0 0 137 -75,-2.8 -74,-0.2 -2,-0.5 -1,-0.2 0.862 360.0 360.0 -99.5 360.0 -9.7 13.0 4.9