==== 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 PROTON TRANSPORT 07-SEP-01 1JXF . 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) . 5444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 54.1 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 . 16 16.3 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 . 0 0.0 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 . 14 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.1 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 0 3 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 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 49 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.000 360.0 360.0 360.0 176.4 -5.4 15.0 -4.0 2 2 A N - 0 0 129 21,-0.1 2,-0.3 25,-0.1 27,-0.2 -0.576 360.0-159.7 -75.6 130.6 -3.7 12.2 -5.8 3 3 A A E -a 29 0A 11 25,-1.2 27,-1.9 -2,-0.3 2,-0.4 -0.747 5.9-158.6-110.3 158.8 -1.2 10.3 -3.7 4 4 A T E +a 30 0A 77 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.983 9.3 179.5-142.5 126.8 1.7 8.1 -4.7 5 5 A V E -a 31 0A 3 25,-1.8 27,-0.9 -2,-0.4 2,-0.5 -0.981 17.0-144.3-129.4 139.7 3.5 5.5 -2.7 6 6 A K E -aB 32 17A 72 11,-2.3 2,-2.1 -2,-0.4 11,-1.0 -0.884 15.9-134.5-106.1 132.4 6.4 3.2 -3.7 7 7 A M S S- 0 0 1 25,-2.2 27,-0.4 -2,-0.5 2,-0.3 -0.282 87.8 -7.1 -79.0 52.5 6.6 -0.3 -2.4 8 8 A G S S- 0 0 0 -2,-2.1 9,-0.5 7,-0.2 2,-0.3 -0.947 91.9 -71.0 162.7-139.8 10.2 0.1 -1.6 9 9 A S - 0 0 19 -2,-0.3 2,-2.6 7,-0.1 4,-0.4 -0.981 31.9-113.4-156.0 143.4 12.9 2.8 -2.1 10 10 A D S S+ 0 0 152 -2,-0.3 24,-0.0 1,-0.2 -2,-0.0 -0.451 108.7 42.3 -77.2 69.4 14.9 4.1 -5.0 11 11 A S S S- 0 0 127 -2,-2.6 -1,-0.2 2,-0.1 -3,-0.0 0.008 123.4 -66.9-168.6 -68.6 18.2 2.7 -3.6 12 12 A G S S+ 0 0 56 1,-0.2 2,-0.4 23,-0.1 -2,-0.1 0.282 88.7 108.3 158.8 47.8 18.0 -0.8 -2.2 13 13 A A - 0 0 44 -4,-0.4 2,-1.1 2,-0.1 -1,-0.2 -0.988 63.5-126.4-145.1 131.5 15.9 -0.9 0.9 14 14 A L + 0 0 58 -2,-0.4 2,-0.3 -6,-0.1 -6,-0.1 -0.670 57.8 133.0 -80.3 100.5 12.5 -2.4 1.5 15 15 A V - 0 0 52 -2,-1.1 2,-0.6 76,-0.1 -7,-0.2 -0.903 55.3-119.2-142.8 168.7 10.5 0.5 3.0 16 16 A F - 0 0 8 76,-0.3 -9,-0.1 -2,-0.3 78,-0.1 -0.903 36.6-150.1-118.9 102.2 7.1 2.2 2.6 17 17 A E B S+B 6 0A 113 -11,-1.0 -11,-2.3 -2,-0.6 -9,-0.2 -0.989 84.5 29.9-129.5 135.9 7.4 5.9 1.6 18 18 A P S S- 0 0 52 0, 0.0 -1,-0.3 0, 0.0 76,-0.2 0.348 79.2-166.3 -75.0 133.8 5.7 8.0 2.2 19 19 A S S S+ 0 0 68 1,-0.2 75,-3.0 74,-0.1 2,-0.4 0.741 82.5 31.2 -54.6 -23.2 5.0 5.9 5.3 20 20 A T E S-d 94 0B 71 73,-0.2 2,-0.4 2,-0.0 75,-0.2 -0.989 71.0-179.0-142.6 129.3 2.0 8.2 5.7 21 21 A V E -d 95 0B 10 73,-1.0 75,-1.4 -2,-0.4 2,-0.5 -0.968 9.7-159.2-129.5 144.3 -0.1 10.0 3.0 22 22 A T E +d 96 0B 90 -2,-0.4 2,-0.2 73,-0.1 75,-0.2 -0.979 23.1 154.0-128.4 119.5 -3.0 12.3 3.4 23 23 A I E -d 97 0B 11 73,-1.4 75,-1.5 -2,-0.5 -21,-0.1 -0.720 44.1 -78.7-131.4-179.4 -5.5 12.9 0.6 24 24 A K - 0 0 130 74,-0.3 2,-1.0 -23,-0.3 3,-0.3 -0.128 51.4 -94.7 -74.6 176.7 -9.1 14.0 0.2 25 25 A A S S+ 0 0 48 73,-0.3 49,-0.3 1,-0.2 -1,-0.1 -0.793 113.6 27.2 -99.7 92.6 -12.1 11.8 0.7 26 26 A G S S+ 0 0 34 47,-1.0 48,-0.3 -2,-1.0 -1,-0.2 0.134 93.5 111.2 143.9 -16.4 -12.9 10.4 -2.8 27 27 A E - 0 0 75 46,-0.4 46,-2.7 -3,-0.3 -1,-0.4 -0.222 58.5-126.6 -78.5 172.3 -9.5 10.6 -4.5 28 28 A E E - C 0 72A 88 44,-0.2 -25,-1.2 45,-0.1 2,-0.4 -0.604 10.2-139.8-114.6 176.0 -7.4 7.6 -5.5 29 29 A V E -aC 3 71A 3 42,-1.5 42,-1.5 -2,-0.2 2,-0.4 -0.999 7.3-153.9-142.1 137.0 -3.9 6.5 -4.9 30 30 A K E -aC 4 70A 105 -27,-1.9 -25,-1.8 -2,-0.4 40,-0.2 -0.867 9.2-155.6-112.4 145.2 -1.3 4.8 -7.2 31 31 A W E -a 5 0A 1 38,-1.7 2,-0.3 -2,-0.4 -25,-0.2 -0.571 5.3-143.5-110.3 175.2 1.5 2.6 -6.2 32 32 A V E -a 6 0A 52 -27,-0.9 -25,-2.2 -2,-0.2 2,-0.2 -0.995 18.1-113.9-143.4 145.4 4.8 1.8 -7.9 33 33 A N + 0 0 17 34,-0.5 2,-0.2 -2,-0.3 -25,-0.1 -0.521 40.7 167.3 -79.0 145.3 7.0 -1.3 -8.2 34 34 A N - 0 0 30 -27,-0.4 3,-0.2 1,-0.2 -26,-0.1 -0.605 35.9 -67.9-137.6-163.0 10.3 -1.4 -6.5 35 35 A K S S+ 0 0 156 -26,-0.4 -1,-0.2 -2,-0.2 -23,-0.1 -0.235 98.4 60.7 -87.4-179.9 13.1 -3.7 -5.5 36 36 A L S S- 0 0 62 1,-0.2 -1,-0.2 -2,-0.1 -24,-0.0 0.829 96.6-143.1 68.4 32.9 13.0 -6.5 -2.9 37 37 A S S S+ 0 0 58 -3,-0.2 2,-0.2 26,-0.1 -1,-0.2 -0.290 72.9 61.9 -74.9 163.1 10.2 -8.1 -4.8 38 38 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 25,-0.2 0.585 65.6-176.7 -75.0 163.4 7.8 -9.5 -4.7 39 39 A H - 0 0 2 23,-0.3 -2,-0.1 -2,-0.2 2,-0.1 -0.887 3.3-170.5-130.1 99.8 6.0 -6.7 -2.9 40 40 A N - 0 0 13 -2,-0.5 2,-0.3 21,-0.1 21,-0.1 -0.336 10.7-149.2 -83.0 168.1 2.4 -7.5 -1.9 41 41 A I B +G 58 0C 0 17,-1.3 17,-2.6 42,-0.1 2,-0.5 -0.824 20.3 169.3-145.1 99.9 -0.0 -4.9 -0.6 42 42 A V E -E 82 0B 15 40,-1.7 40,-1.7 -2,-0.3 2,-1.1 -0.962 23.7-149.1-117.4 120.2 -2.7 -6.1 1.8 43 43 A F E -E 81 0B 8 -2,-0.5 2,-0.5 10,-0.4 38,-0.3 -0.745 14.4-155.8 -90.9 95.8 -4.8 -3.5 3.6 44 44 A A E -E 80 0B 21 36,-1.6 36,-0.7 -2,-1.1 2,-0.5 -0.605 33.2-104.2 -74.7 119.8 -5.7 -5.1 7.0 45 45 A A + 0 0 53 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 -0.210 55.9 164.9 -46.4 95.6 -8.8 -3.4 8.3 46 46 A D S S- 0 0 85 -2,-0.5 -1,-0.1 32,-0.4 3,-0.1 -0.670 77.9 -24.8-121.3 73.9 -7.1 -1.3 10.9 47 47 A G S S+ 0 0 72 1,-0.5 2,-0.1 -2,-0.4 32,-0.1 0.005 126.6 80.8 111.8 -24.9 -9.7 1.2 11.9 48 48 A V S S- 0 0 24 30,-0.5 -1,-0.5 1,-0.2 29,-0.1 -0.426 89.8 -79.7-103.5-179.7 -11.7 1.1 8.7 49 49 A D > - 0 0 102 -2,-0.1 4,-1.4 -3,-0.1 -1,-0.2 -0.201 32.0-127.7 -74.8 171.0 -14.2 -1.4 7.4 50 50 A A H > S+ 0 0 63 2,-0.2 4,-2.3 3,-0.1 5,-0.1 0.959 106.2 43.8 -82.8 -69.9 -13.4 -4.8 5.9 51 51 A D H > S+ 0 0 142 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.845 117.6 52.4 -43.1 -39.8 -15.2 -4.8 2.6 52 52 A T H > S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.982 112.4 39.7 -61.5 -61.2 -13.9 -1.3 2.2 53 53 A A H X S+ 0 0 1 -4,-1.4 4,-1.8 1,-0.2 -10,-0.4 0.643 108.9 71.4 -63.4 -13.5 -10.2 -2.1 2.9 54 54 A A H < S+ 0 0 43 -4,-2.3 3,-0.5 2,-0.2 -1,-0.2 0.991 101.1 37.3 -65.2 -63.1 -11.0 -5.1 0.8 55 55 A K H < S+ 0 0 135 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 120.3 51.5 -59.1 -27.9 -11.2 -3.4 -2.5 56 56 A L H < S+ 0 0 8 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.783 98.8 82.8 -78.4 -29.5 -8.4 -1.2 -1.2 57 57 A S < - 0 0 32 -4,-1.8 2,-0.4 -3,-0.5 -15,-0.2 -0.373 69.1-149.5 -74.6 155.1 -6.4 -4.3 -0.3 58 58 A H B -G 41 0C 28 -17,-2.6 -17,-1.3 -2,-0.1 2,-1.2 -0.884 12.0-173.3-132.2 100.2 -4.3 -6.1 -3.0 59 59 A K + 0 0 163 -2,-0.4 -17,-0.1 -19,-0.1 2,-0.1 -0.287 62.9 88.3 -86.2 49.4 -3.9 -9.8 -2.5 60 60 A G - 0 0 21 -2,-1.2 2,-0.3 -19,-0.2 -19,-0.1 -0.089 67.0-126.5-118.5-143.0 -1.5 -9.9 -5.4 61 61 A L - 0 0 94 -21,-0.1 2,-0.4 -2,-0.1 -21,-0.1 -0.901 9.7-119.8-159.8-176.2 2.2 -9.4 -5.9 62 62 A A + 0 0 4 -2,-0.3 -23,-0.3 1,-0.1 3,-0.1 -0.972 42.6 135.7-144.9 125.3 4.9 -7.5 -7.8 63 63 A F + 0 0 139 -2,-0.4 2,-0.4 1,-0.3 -26,-0.1 0.554 59.4 71.1-133.3 -43.1 7.6 -8.9 -10.1 64 64 A A S > S- 0 0 60 1,-0.1 2,-1.2 2,-0.0 3,-1.2 -0.701 80.0-127.6 -86.5 132.0 7.7 -6.8 -13.2 65 65 A A T 3 S+ 0 0 99 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.678 96.6 43.9 -82.1 97.1 9.1 -3.3 -12.7 66 66 A G T 3 S+ 0 0 65 -2,-1.2 -1,-0.2 1,-0.5 2,-0.2 0.087 79.8 112.5 157.6 -25.2 6.4 -1.1 -14.2 67 67 A E < - 0 0 140 -3,-1.2 -1,-0.5 -35,-0.1 -34,-0.5 -0.510 42.4-178.0 -75.8 140.7 3.2 -2.5 -12.9 68 68 A S - 0 0 46 -2,-0.2 2,-0.2 -36,-0.1 -36,-0.2 -0.892 14.4-138.8-135.9 164.9 1.2 -0.4 -10.4 69 69 A F - 0 0 58 -2,-0.3 -38,-1.7 -11,-0.0 2,-0.3 -0.692 9.2-140.7-119.8 173.0 -2.0 -0.6 -8.4 70 70 A T E -C 30 0A 80 -2,-0.2 2,-0.3 -40,-0.2 -40,-0.2 -0.971 10.9-171.4-136.9 150.6 -4.8 1.7 -7.5 71 71 A S E -C 29 0A 0 -42,-1.5 -42,-1.5 -2,-0.3 2,-0.6 -0.997 20.3-132.1-145.1 137.7 -6.9 2.3 -4.3 72 72 A T E -C 28 0A 36 -2,-0.3 -44,-0.2 -44,-0.2 3,-0.2 -0.801 11.8-169.2 -93.6 123.0 -10.0 4.3 -3.7 73 73 A F + 0 0 0 -46,-2.7 -47,-1.0 -2,-0.6 -46,-0.4 -0.263 47.5 122.3-103.2 43.8 -9.9 6.6 -0.7 74 74 A T + 0 0 73 -48,-0.3 -1,-0.2 -49,-0.3 -47,-0.1 0.999 56.7 66.1 -66.2 -69.6 -13.6 7.4 -0.7 75 75 A E S S- 0 0 92 -3,-0.2 2,-0.7 1,-0.1 -49,-0.1 -0.376 91.5-122.6 -59.5 124.4 -14.6 6.2 2.8 76 76 A P + 0 0 89 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.612 67.4 93.6 -75.0 112.7 -12.8 8.5 5.4 77 77 A G S S- 0 0 24 -2,-0.7 20,-2.0 -4,-0.1 2,-0.4 -0.805 75.6 -73.6-166.1-153.8 -10.8 6.3 7.6 78 78 A T - 0 0 39 -2,-0.2 -30,-0.5 18,-0.2 2,-0.4 -0.934 36.6-169.1-134.6 109.9 -7.3 4.8 8.2 79 79 A Y - 0 0 2 -2,-0.4 16,-1.5 -32,-0.1 2,-0.6 -0.840 4.0-161.9-101.9 133.3 -6.0 2.0 6.0 80 80 A T E -EF 44 94B 16 -36,-0.7 -36,-1.6 -2,-0.4 2,-0.5 -0.943 9.2-176.4-118.6 110.9 -2.9 0.1 6.9 81 81 A Y E +EF 43 93B 1 -2,-0.6 12,-1.3 12,-0.5 -38,-0.2 -0.918 8.2 170.2-110.7 129.8 -1.2 -1.8 4.2 82 82 A Y E -EF 42 92B 70 -40,-1.7 -40,-1.7 -2,-0.5 2,-0.5 -0.703 42.9 -75.8-127.1 178.5 1.9 -4.0 4.8 83 83 A C - 0 0 0 8,-1.8 -42,-0.1 3,-0.6 8,-0.1 -0.666 31.2-152.8 -80.9 126.2 4.0 -6.6 3.0 84 84 A E S > S+ 0 0 80 -2,-0.5 3,-1.0 1,-0.2 -1,-0.2 0.943 100.8 37.6 -61.7 -50.5 2.3 -9.9 2.8 85 85 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.657 129.0 37.6 -75.0 -17.0 5.6 -11.8 2.7 86 86 A H T >>>S+ 0 0 44 5,-0.1 3,-0.8 1,-0.1 4,-0.7 -0.286 71.2 131.4-128.0 45.5 7.0 -9.3 5.1 87 87 A R T <45S+ 0 0 204 -3,-1.0 -3,-0.1 1,-0.3 -1,-0.1 0.453 85.2 35.1 -76.2 -0.4 4.0 -8.8 7.3 88 88 A G T 345S+ 0 0 73 -3,-0.1 -1,-0.3 -5,-0.1 -4,-0.0 -0.331 102.0 70.6-151.0 59.1 6.5 -9.3 10.2 89 89 A A T <45S- 0 0 83 -3,-0.8 -2,-0.1 -6,-0.1 -3,-0.0 0.492 112.0 -72.9-137.5 -50.3 9.8 -7.8 9.3 90 90 A G T <5S+ 0 0 63 -4,-0.7 2,-0.3 1,-0.1 -3,-0.1 0.416 89.6 113.1 147.0 46.3 9.6 -4.1 9.2 91 91 A M < + 0 0 6 -5,-0.6 -8,-1.8 -8,-0.1 2,-0.3 -0.821 33.7 126.6-143.6 99.3 7.6 -2.9 6.2 92 92 A V E - F 0 82B 75 -2,-0.3 2,-0.3 -10,-0.2 -76,-0.3 -0.926 33.9-150.3-145.9 167.3 4.2 -1.3 6.6 93 93 A G E - F 0 81B 4 -12,-1.3 -12,-0.5 -2,-0.3 2,-0.4 -0.959 6.0-142.8-141.7 158.1 2.4 1.8 5.7 94 94 A K E -dF 20 80B 106 -75,-3.0 -73,-1.0 -2,-0.3 2,-0.3 -0.950 11.7-161.8-124.8 144.1 -0.4 4.1 7.0 95 95 A V E -d 21 0B 2 -16,-1.5 2,-0.4 -2,-0.4 -73,-0.1 -0.920 4.1-169.8-125.1 150.6 -3.1 5.9 5.2 96 96 A V E -d 22 0B 39 -75,-1.4 -73,-1.4 -2,-0.3 2,-0.4 -0.935 4.3-167.0-144.8 116.1 -5.3 8.8 6.2 97 97 A V E d 23 0B 5 -20,-2.0 -73,-0.2 -2,-0.4 -72,-0.2 -0.826 360.0 360.0-105.2 142.9 -8.4 10.0 4.2 98 98 A D 0 0 127 -75,-1.5 -73,-0.3 -2,-0.4 -74,-0.3 0.462 360.0 360.0-140.6 360.0 -10.1 13.3 4.9