==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 31-MAY-07 2Q5B . COMPND 2 MOLECULE: PLASTOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHORMIDIUM LAMINOSUM; . AUTHOR R.FROMME,Y.S.BUKHMAN-DERUYTER,I.GROTJOHANN,H.MI,P.FROMME . 315 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 22.2 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 . 3 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 . 49 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 3 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 3 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 PARALLEL BRIDGES PER LADDER . 0 9 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 6 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 E 0 0 154 0, 0.0 27,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.2 -24.8 8.9 3.2 2 2 A T E -a 28 0A 79 25,-0.2 2,-0.5 27,-0.1 27,-0.2 -0.933 360.0-161.7-111.8 132.0 -22.5 12.0 3.2 3 3 A F E -a 29 0A 50 25,-2.7 27,-2.9 -2,-0.4 2,-0.5 -0.956 10.8-147.0-112.1 127.0 -19.4 12.2 5.4 4 4 A T E -a 30 0A 77 -2,-0.5 2,-0.5 25,-0.2 27,-0.2 -0.825 10.7-166.9 -98.5 129.3 -18.0 15.6 6.0 5 5 A V E -a 31 0A 0 25,-3.0 27,-2.7 -2,-0.5 2,-0.3 -0.978 13.0-142.8-116.3 121.8 -14.2 15.9 6.4 6 6 A K E -aB 32 17A 59 11,-3.1 11,-2.5 -2,-0.5 2,-0.8 -0.686 7.6-139.8 -83.8 137.7 -12.8 19.2 7.9 7 7 A M E S+aB 33 16A 0 25,-2.9 27,-2.2 -2,-0.3 28,-1.1 -0.873 86.7 18.2 -98.2 106.9 -9.5 20.4 6.4 8 8 A G S S- 0 0 0 7,-2.5 6,-0.2 -2,-0.8 27,-0.2 0.377 97.0-105.0 93.7 122.1 -7.7 21.7 9.5 9 9 A A > - 0 0 0 4,-2.6 3,-2.0 1,-0.1 4,-0.1 -0.396 20.8-117.5 -76.9 156.1 -9.0 20.5 12.9 10 10 A D T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.2 7,-0.0 0.860 116.6 64.9 -58.9 -34.4 -11.0 22.6 15.2 11 11 A S T 3 S- 0 0 86 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.565 123.6-106.7 -61.6 -12.2 -8.1 22.2 17.6 12 12 A G S < S+ 0 0 35 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.717 73.2 143.6 86.7 24.7 -6.0 24.2 15.1 13 13 A L - 0 0 86 -4,-0.1 -4,-2.6 2,-0.1 2,-2.1 -0.737 61.3-117.0 -96.9 146.7 -4.0 21.1 14.0 14 14 A L S S+ 0 0 48 -2,-0.3 2,-0.3 -6,-0.2 22,-0.1 -0.510 75.3 114.0 -82.6 73.5 -2.9 20.5 10.4 15 15 A Q S S- 0 0 94 -2,-2.1 -7,-2.5 82,-0.1 2,-0.4 -0.953 72.0-113.7-138.9 153.6 -5.0 17.4 9.9 16 16 A F E -B 7 0A 2 82,-0.5 3,-0.3 -2,-0.3 -9,-0.2 -0.781 45.6-121.5 -80.3 136.6 -8.0 16.1 8.0 17 17 A E E S+B 6 0A 67 -11,-2.5 -11,-3.1 -2,-0.4 2,-0.1 -0.938 102.2 18.1-131.7 107.5 -10.8 15.5 10.5 18 18 A P S S- 0 0 64 0, 0.0 -1,-0.4 0, 0.0 3,-0.0 0.559 82.6-171.1 -76.5 148.5 -11.7 12.6 10.4 19 19 A A S S+ 0 0 38 -3,-0.3 81,-2.8 1,-0.1 2,-0.5 0.849 73.9 47.7 -77.1 -33.9 -8.5 11.4 8.6 20 20 A N E +d 100 0B 102 79,-0.2 2,-0.4 -4,-0.1 81,-0.2 -0.934 68.0 175.6-113.0 127.3 -9.9 7.9 8.0 21 21 A V E -d 101 0B 11 79,-2.3 81,-2.9 -2,-0.5 2,-0.5 -0.997 19.1-149.8-131.8 133.6 -13.4 7.4 6.5 22 22 A T E -d 102 0B 72 -2,-0.4 2,-0.3 79,-0.2 81,-0.2 -0.920 24.0-176.0-106.2 133.4 -15.1 4.2 5.5 23 23 A V E -d 103 0B 0 79,-3.5 81,-3.0 -2,-0.5 -21,-0.0 -0.876 19.5-144.5-131.2 149.0 -17.6 4.5 2.7 24 24 A H > - 0 0 101 -2,-0.3 3,-2.4 79,-0.2 52,-0.2 -0.859 49.1 -75.9-110.8 153.6 -20.1 2.3 0.9 25 25 A P T 3 S+ 0 0 71 0, 0.0 52,-0.3 0, 0.0 53,-0.1 -0.199 121.5 29.0 -47.5 132.4 -20.8 2.6 -2.9 26 26 A G T 3 S+ 0 0 44 50,-3.4 51,-0.2 1,-0.4 2,-0.1 0.184 92.8 123.7 98.1 -16.6 -23.1 5.6 -3.5 27 27 A D E < - C 0 76A 17 -3,-2.4 49,-2.8 49,-0.6 2,-0.4 -0.383 52.0-139.0 -73.6 156.7 -21.8 7.6 -0.5 28 28 A T E -aC 2 75A 16 -27,-2.3 -25,-2.7 47,-0.3 2,-0.5 -0.945 4.7-154.4-116.6 137.1 -20.3 11.1 -0.8 29 29 A V E -aC 3 74A 0 45,-2.6 45,-2.4 -2,-0.4 2,-0.5 -0.971 14.7-166.0-106.1 127.9 -17.2 12.5 1.0 30 30 A K E -aC 4 73A 65 -27,-2.9 -25,-3.0 -2,-0.5 2,-0.4 -0.967 5.6-155.2-118.1 117.4 -17.4 16.3 1.3 31 31 A W E -aC 5 72A 0 41,-3.2 41,-1.8 -2,-0.5 2,-0.4 -0.795 10.4-165.5 -91.3 133.8 -14.2 18.2 2.3 32 32 A V E -aC 6 71A 33 -27,-2.7 -25,-2.9 -2,-0.4 2,-0.4 -0.982 22.8-122.5-124.0 129.0 -14.8 21.5 4.0 33 33 A N E +a 7 0A 2 37,-2.8 36,-2.8 -2,-0.4 37,-0.1 -0.562 47.1 153.5 -71.2 122.4 -12.1 24.1 4.4 34 34 A N + 0 0 33 -27,-2.2 2,-0.3 -2,-0.4 -26,-0.2 0.775 45.7 1.5-117.6 -79.7 -11.8 24.9 8.1 35 35 A K S S+ 0 0 105 -28,-1.1 -1,-0.3 -27,-0.2 -24,-0.0 -0.901 110.1 13.1-124.5 151.4 -8.7 26.1 9.8 36 36 A L S S- 0 0 88 -2,-0.3 -1,-0.2 1,-0.1 -27,-0.0 0.886 92.4-139.2 57.7 50.1 -5.1 27.1 8.8 37 37 A P + 0 0 53 0, 0.0 29,-0.2 0, 0.0 2,-0.1 -0.185 68.0 78.2 -68.4 171.2 -5.6 27.3 5.0 38 38 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 28,-0.2 0.515 58.4 160.3 -83.6 158.2 -4.7 26.8 2.2 39 39 A H E -G 65 0C 0 26,-1.6 26,-2.7 -2,-0.1 2,-0.3 -0.941 14.5-176.9-130.0 155.4 -5.3 23.1 1.7 40 40 A N E - 0 0 8 -2,-0.3 2,-0.4 24,-0.2 22,-0.2 -0.862 23.5-125.5-138.7-176.6 -5.7 20.8 -1.2 41 41 A I E +G 61 0C 0 20,-2.1 20,-2.7 -2,-0.3 2,-0.5 -0.917 29.0 178.7-136.5 103.1 -6.5 17.2 -1.8 42 42 A L E -E 88 0B 12 46,-2.8 46,-1.9 -2,-0.4 2,-0.5 -0.924 14.2-166.6-115.8 131.1 -4.1 15.0 -3.8 43 43 A F E -E 87 0B 0 -2,-0.5 17,-0.2 13,-0.4 44,-0.2 -0.975 20.7-139.6-109.0 118.3 -4.3 11.4 -4.7 44 44 A D > - 0 0 22 -2,-0.5 3,-2.1 42,-0.5 42,-0.2 -0.444 23.4-113.7 -70.7 151.5 -1.1 9.9 -6.1 45 45 A D G > S+ 0 0 13 1,-0.3 3,-0.6 2,-0.2 11,-0.1 0.809 116.8 48.4 -55.2 -33.5 -1.4 7.4 -8.9 46 46 A K G 3 S+ 0 0 103 1,-0.2 -1,-0.3 5,-0.1 4,-0.1 0.363 100.7 67.6 -92.8 9.4 -0.1 4.6 -6.8 47 47 A Q G < S+ 0 0 92 -3,-2.1 39,-2.4 39,-0.1 -1,-0.2 0.217 87.4 70.8-116.2 15.4 -2.4 5.3 -3.9 48 48 A V S X S- 0 0 6 -3,-0.6 3,-2.4 37,-0.2 37,-0.2 -0.860 102.2 -69.7-121.6 161.1 -5.8 4.5 -5.4 49 49 A P G > S+ 0 0 23 0, 0.0 3,-1.0 0, 0.0 6,-0.1 -0.201 121.2 7.0 -53.1 134.7 -7.1 1.0 -6.3 50 50 A G G 3 S- 0 0 82 1,-0.2 -3,-0.1 -4,-0.1 -4,-0.0 0.482 112.9 -95.2 72.9 2.7 -5.3 -0.6 -9.2 51 51 A A G < + 0 0 48 -3,-2.4 2,-0.7 1,-0.2 -1,-0.2 0.853 64.7 175.6 55.0 40.7 -2.8 2.3 -9.2 52 52 A S <> - 0 0 43 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 -0.669 24.0-168.8 -81.9 112.4 -4.8 4.1 -11.9 53 53 A K H > S+ 0 0 28 -2,-0.7 4,-2.9 2,-0.2 5,-0.3 0.863 89.6 57.9 -64.1 -36.6 -3.4 7.6 -12.7 54 54 A E H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 111.2 42.5 -60.5 -42.9 -6.5 8.4 -14.7 55 55 A L H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.944 115.2 48.8 -65.0 -49.3 -8.7 7.7 -11.6 56 56 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -13,-0.4 0.881 111.3 49.8 -63.7 -37.8 -6.3 9.5 -9.2 57 57 A D H < S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 108.6 52.7 -67.4 -38.6 -6.1 12.6 -11.4 58 58 A K H < S+ 0 0 141 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.870 115.0 41.9 -62.0 -38.0 -9.9 12.8 -11.7 59 59 A L H < S+ 0 0 10 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.785 92.3 99.6 -83.9 -27.3 -10.3 12.7 -8.0 60 60 A S < - 0 0 8 -4,-1.8 2,-0.8 -5,-0.2 -18,-0.2 -0.400 54.3-161.1 -66.3 129.8 -7.4 15.1 -7.0 61 61 A H E +G 41 0C 4 -20,-2.7 -20,-2.1 -2,-0.2 -1,-0.1 -0.800 19.8 168.5-105.8 83.7 -8.3 18.7 -6.3 62 62 A S E + 0 0 70 -2,-0.8 -1,-0.1 -22,-0.2 -20,-0.1 0.742 44.0 100.4 -71.1 -23.6 -4.9 20.2 -6.7 63 63 A Q E S- 0 0 17 -3,-0.1 2,-0.2 -22,-0.1 -22,-0.2 -0.386 81.9-108.5 -67.4 144.1 -6.2 23.8 -6.6 64 64 A L E - 0 0 60 -24,-0.1 2,-0.5 -26,-0.1 -24,-0.2 -0.513 22.0-149.2 -81.4 136.7 -5.7 25.5 -3.3 65 65 A M E +G 39 0C 1 -26,-2.7 -26,-1.6 -2,-0.2 -1,-0.0 -0.923 25.2 162.7-106.6 122.8 -8.7 26.2 -1.0 66 66 A F + 0 0 84 -2,-0.5 -1,-0.1 -28,-0.2 -30,-0.0 0.689 47.1 75.2-111.4 -30.7 -8.3 29.4 1.1 67 67 A S S > S- 0 0 68 1,-0.1 3,-2.1 -30,-0.0 -34,-0.2 -0.742 84.1-109.0 -95.4 134.9 -11.7 30.5 2.5 68 68 A P T 3 S+ 0 0 102 0, 0.0 -34,-0.2 0, 0.0 3,-0.1 -0.377 106.2 29.0 -54.8 135.4 -13.4 28.7 5.3 69 69 A G T 3 S+ 0 0 52 -36,-2.8 -35,-0.1 1,-0.4 2,-0.1 0.252 80.9 136.0 93.2 -11.7 -16.4 26.9 4.0 70 70 A E < - 0 0 52 -3,-2.1 -37,-2.8 -37,-0.1 -1,-0.4 -0.423 39.4-166.2 -57.6 145.1 -15.0 26.2 0.5 71 71 A S E -C 32 0A 18 -39,-0.2 2,-0.3 -3,-0.1 -39,-0.2 -0.941 28.2-168.5-141.3 160.2 -15.8 22.6 -0.4 72 72 A Y E -C 31 0A 11 -41,-1.8 -41,-3.2 -2,-0.3 2,-0.3 -0.970 16.4-163.0-144.6 135.7 -15.1 19.7 -2.7 73 73 A E E -C 30 0A 93 -2,-0.3 2,-0.4 -43,-0.2 -43,-0.2 -0.938 11.5-167.0-123.6 144.6 -17.1 16.5 -2.9 74 74 A I E -C 29 0A 7 -45,-2.4 -45,-2.6 -2,-0.3 2,-0.7 -0.996 11.6-153.7-123.9 124.6 -16.6 13.0 -4.4 75 75 A T E -C 28 0A 69 -2,-0.4 2,-1.7 -47,-0.2 -47,-0.3 -0.890 11.1-149.0 -94.3 114.2 -19.5 10.7 -4.8 76 76 A F E +C 27 0A 0 -49,-2.8 -50,-3.4 -2,-0.7 -49,-0.6 -0.627 29.9 178.3 -84.8 79.8 -18.1 7.1 -4.6 77 77 A S > - 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0 0 0 8,-2.3 8,-0.2 -2,-0.3 3,-0.2 -0.922 21.9-153.2-100.2 121.7 -2.5 18.1 1.4 90 90 A A S > S+ 0 0 46 -2,-0.5 3,-1.6 1,-0.2 4,-0.3 0.946 92.4 53.4 -63.4 -49.7 0.6 19.4 -0.5 91 91 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.827 123.3 29.5 -52.1 -34.1 1.0 22.7 1.5 92 92 A H T > >S+ 0 0 32 -3,-0.2 5,-1.6 5,-0.2 3,-1.2 0.034 80.1 120.2-118.3 25.9 1.0 20.7 4.8 93 93 A R G X 5S+ 0 0 96 -3,-1.6 3,-2.0 1,-0.3 -1,-0.1 0.918 75.6 55.0 -57.2 -42.7 2.5 17.5 3.6 94 94 A G G 3 5S+ 0 0 89 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.651 102.3 58.0 -68.4 -15.6 5.4 17.9 6.1 95 95 A A G < 5S- 0 0 61 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.473 120.5-109.0 -88.0 -4.5 2.9 18.2 8.9 96 96 A G T < 5 + 0 0 49 -3,-2.0 2,-1.6 -4,-0.4 -3,-0.2 0.793 55.3 167.3 80.0 31.7 1.4 14.8 8.1 97 97 A M < + 0 0 0 -5,-1.6 -8,-2.3 -8,-0.2 2,-0.3 -0.616 27.3 136.6 -81.7 89.2 -1.8 16.2 6.7 98 98 A V E - F 0 88B 66 -2,-1.6 -82,-0.5 -10,-0.2 2,-0.3 -0.869 29.7-177.2-135.9 156.2 -2.9 12.9 5.1 99 99 A G E - F 0 87B 2 -12,-2.4 -12,-2.5 -2,-0.3 2,-0.3 -0.948 12.9-145.9-152.0 172.4 -6.1 10.9 4.9 100 100 A K E -dF 20 86B 72 -81,-2.8 -79,-2.3 -2,-0.3 2,-0.5 -0.969 0.3-161.2-149.1 129.2 -7.6 7.7 3.6 101 101 A I E -dF 21 85B 0 -16,-2.7 -16,-2.7 -2,-0.3 2,-0.6 -0.942 12.3-158.5-105.3 128.2 -11.1 6.8 2.2 102 102 A T E -dF 22 84B 36 -81,-2.9 -79,-3.5 -2,-0.5 2,-0.7 -0.954 1.5-158.6-108.2 119.9 -11.9 3.1 2.3 103 103 A V E -dF 23 83B 4 -20,-3.0 -20,-2.3 -2,-0.6 -79,-0.2 -0.880 19.4-136.8 -96.4 115.0 -14.6 2.1 -0.2 104 104 A E 0 0 95 -81,-3.0 -82,-0.0 -2,-0.7 -2,-0.0 -0.412 360.0 360.0 -76.7 149.3 -16.1 -1.2 0.9 105 105 A G 0 0 132 -2,-0.1 -81,-0.0 -81,-0.1 -22,-0.0 -0.961 360.0 360.0 169.2 360.0 -16.9 -4.1 -1.5 106 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 107 1 B E 0 0 178 0, 0.0 27,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -68.3 11.5 -2.6 -24.5 108 2 B T E -h 134 0D 77 25,-0.2 2,-0.5 27,-0.0 27,-0.2 -0.952 360.0-162.0-114.6 126.5 11.8 -0.5 -21.2 109 3 B F E -h 135 0D 70 25,-2.9 27,-2.9 -2,-0.5 2,-0.4 -0.929 11.8-145.0-107.5 127.1 14.1 2.5 -21.0 110 4 B T E -h 136 0D 73 -2,-0.5 2,-0.5 25,-0.2 27,-0.2 -0.783 11.2-167.3 -96.7 133.7 15.0 3.7 -17.6 111 5 B V E -h 137 0D 0 25,-2.8 27,-2.6 -2,-0.4 2,-0.3 -0.986 14.7-140.4-120.5 122.2 15.6 7.4 -16.9 112 6 B K E -hI 138 123D 66 11,-3.1 11,-2.2 -2,-0.5 2,-0.8 -0.634 6.6-142.4 -79.3 134.1 17.2 8.5 -13.6 113 7 B M E S+hI 139 122D 0 25,-2.7 27,-2.1 -2,-0.3 28,-1.1 -0.868 85.9 12.8 -98.0 103.4 15.7 11.6 -11.9 114 8 B G S S- 0 0 0 7,-2.6 6,-0.2 -2,-0.8 27,-0.2 0.370 96.7-103.9 93.2 124.7 18.9 13.3 -10.6 115 9 B A > - 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