==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 22-DEC-01 1KOU . COMPND 2 MOLECULE: PHOTOACTIVE YELLOW PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALORHODOSPIRA HALOPHILA; . AUTHOR D.M.F.VAN AALTEN,W.CRIELAARD,K.J.HELLINGWERF,L.JOSHUA-TOR . 119 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 25.2 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 5 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.4 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 1 1 1 0 0 1 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 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A V 0 0 91 0, 0.0 23,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.0 24.6 8.3 12.7 2 5 A A > - 0 0 58 1,-0.1 3,-2.1 21,-0.1 6,-0.1 -0.586 360.0-103.6-102.6 143.8 20.8 7.8 12.8 3 6 A F T 3 S+ 0 0 32 1,-0.3 -1,-0.1 -2,-0.3 115,-0.0 -0.368 109.2 19.3 -49.5 131.9 17.9 8.8 10.6 4 7 A G T 3 S+ 0 0 31 1,-0.2 -1,-0.3 101,-0.1 -2,-0.0 0.448 83.4 162.7 80.1 8.9 16.1 11.7 12.2 5 8 A S X - 0 0 30 -3,-2.1 3,-1.9 1,-0.1 -1,-0.2 -0.286 46.4-122.8 -61.2 146.5 19.0 12.8 14.5 6 9 A E T 3 S+ 0 0 142 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.747 109.5 29.3 -64.7 -29.9 18.6 16.3 15.8 7 10 A D T >> S+ 0 0 82 1,-0.1 3,-1.7 2,-0.1 4,-1.5 -0.054 76.4 133.7-121.9 30.2 21.9 17.5 14.4 8 11 A I H <> + 0 0 0 -3,-1.9 4,-2.3 1,-0.3 5,-0.2 0.814 69.2 60.5 -49.2 -34.8 22.2 15.2 11.4 9 12 A E H 3> S+ 0 0 32 -4,-0.2 4,-1.5 1,-0.2 101,-0.4 0.791 101.0 54.7 -69.8 -25.8 23.2 18.1 9.1 10 13 A N H <> S+ 0 0 68 -3,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.940 110.7 44.8 -69.4 -46.7 26.2 18.8 11.3 11 14 A T H >< S+ 0 0 32 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.937 113.9 47.8 -60.6 -48.4 27.4 15.2 10.9 12 15 A L H >< S+ 0 0 4 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.825 98.1 69.1 -73.2 -23.8 26.8 15.0 7.2 13 16 A A H 3< S+ 0 0 61 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.784 100.7 51.3 -57.8 -26.1 28.5 18.4 6.6 14 17 A K T << S+ 0 0 164 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.3 0.486 93.4 105.0 -87.7 -6.4 31.8 16.6 7.5 15 18 A M < - 0 0 44 -3,-1.7 2,-0.1 -4,-0.2 -3,-0.0 -0.624 52.9-152.4 -95.3 143.7 31.3 13.6 5.2 16 19 A D > - 0 0 98 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.314 45.5 -86.7 -90.8-172.6 32.9 12.6 1.8 17 20 A D H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.843 128.2 48.5 -63.7 -47.0 31.2 10.4 -0.9 18 21 A G H > S+ 0 0 50 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.866 112.5 47.8 -59.2 -43.5 32.3 7.2 0.7 19 22 A Q H >4 S+ 0 0 92 2,-0.2 3,-0.9 1,-0.2 4,-0.5 0.955 111.6 50.2 -65.0 -44.7 31.2 8.2 4.2 20 23 A L H >< S+ 0 0 3 -4,-2.8 3,-1.3 1,-0.3 22,-0.3 0.900 108.0 54.3 -59.4 -39.6 27.8 9.3 2.7 21 24 A D H 3< S+ 0 0 73 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.748 100.8 61.9 -63.1 -24.4 27.6 5.9 1.0 22 25 A G T << S+ 0 0 66 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.539 78.5 117.1 -78.9 -5.7 28.1 4.3 4.4 23 26 A L < - 0 0 14 -3,-1.3 19,-0.1 -4,-0.5 4,-0.1 -0.323 68.7-132.6 -66.5 151.2 24.9 5.7 5.9 24 27 A A S S+ 0 0 99 -23,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.548 89.0 46.9 -76.3 -12.8 22.1 3.4 7.0 25 28 A F S S- 0 0 5 93,-0.1 18,-0.3 -23,-0.0 17,-0.3 -0.868 95.8 -90.1-127.4 160.0 19.6 5.6 5.1 26 29 A G E -A 117 0A 0 91,-2.7 91,-2.0 16,-0.3 2,-0.4 -0.472 41.0-168.5 -69.7 142.1 19.2 7.2 1.8 27 30 A A E +A 116 0A 0 89,-0.2 13,-2.2 -2,-0.2 2,-0.4 -0.990 9.8 176.6-141.1 124.5 20.6 10.7 1.6 28 31 A I E -AB 115 39A 0 87,-2.2 87,-2.8 -2,-0.4 2,-0.5 -0.990 14.9-154.0-124.3 134.0 20.0 13.2 -1.3 29 32 A Q E -AB 114 38A 27 9,-2.4 8,-3.1 -2,-0.4 9,-1.6 -0.972 18.2-176.3-112.3 127.7 21.3 16.8 -1.3 30 33 A L E -AB 113 36A 0 83,-3.1 83,-2.3 -2,-0.5 6,-0.2 -0.880 22.5-128.8-115.5 150.9 19.4 19.3 -3.4 31 34 A D > - 0 0 46 4,-2.0 3,-1.8 -2,-0.3 6,-0.0 -0.292 49.0 -87.4 -80.3-178.2 19.9 22.9 -4.3 32 35 A G T 3 S+ 0 0 21 1,-0.3 48,-0.1 2,-0.1 49,-0.1 0.759 130.2 53.2 -70.1 -18.6 17.0 25.3 -3.8 33 36 A D T 3 S- 0 0 109 2,-0.1 -1,-0.3 26,-0.0 27,-0.2 0.431 121.7-104.6 -91.1 -2.3 15.7 24.5 -7.3 34 37 A G < + 0 0 0 -3,-1.8 25,-2.9 1,-0.3 26,-0.2 0.567 68.1 149.4 89.4 10.7 15.7 20.8 -6.7 35 38 A N B -E 58 0B 48 23,-0.2 -4,-2.0 24,-0.1 2,-0.5 -0.585 52.7-110.6 -77.5 140.1 18.8 19.9 -8.7 36 39 A I E +B 30 0A 2 21,-2.6 20,-2.4 18,-0.3 -6,-0.2 -0.612 41.8 166.6 -81.2 118.9 20.6 16.9 -7.3 37 40 A L E S+ 0 0 72 -8,-3.1 2,-0.3 -2,-0.5 -7,-0.2 0.773 71.7 10.0 -92.9 -42.1 24.0 17.7 -5.7 38 41 A Q E +B 29 0A 46 -9,-1.6 -9,-2.4 16,-0.1 -1,-0.4 -0.985 57.7 178.4-141.2 151.2 24.7 14.4 -3.9 39 42 A Y E -B 28 0A 14 -2,-0.3 -11,-0.2 -11,-0.2 16,-0.1 -0.887 21.6-142.7-155.6 117.6 22.9 11.0 -3.9 40 43 A N > - 0 0 0 -13,-2.2 4,-1.8 -2,-0.3 3,-0.3 -0.288 23.1-110.5 -93.2 171.2 24.2 8.1 -1.9 41 44 A A H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.897 114.7 58.5 -63.4 -37.0 24.4 4.4 -2.4 42 45 A A H > S+ 0 0 16 -17,-0.3 4,-1.0 -22,-0.3 -16,-0.3 0.902 105.2 50.8 -64.6 -32.4 21.7 3.6 0.2 43 46 A E H >> S+ 0 0 2 -18,-0.3 4,-2.1 -3,-0.3 3,-0.7 0.924 107.9 51.8 -67.0 -48.4 19.2 5.7 -1.8 44 47 A G H 3X S+ 0 0 8 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.850 103.3 59.8 -57.2 -32.0 20.1 3.9 -5.0 45 48 A D H 3< S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.829 110.7 41.7 -68.0 -28.2 19.5 0.6 -3.2 46 49 A I H << S+ 0 0 21 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.857 128.0 27.4 -78.9 -39.0 15.9 1.7 -2.5 47 50 A T H < S- 0 0 11 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.586 93.7-124.1-109.8 -13.4 15.1 3.2 -5.9 48 51 A G < + 0 0 72 -4,-2.6 2,-0.4 1,-0.3 -4,-0.1 0.633 63.8 136.7 72.1 23.7 17.3 1.5 -8.4 49 52 A R - 0 0 39 -6,-0.2 -1,-0.3 -5,-0.2 -2,-0.2 -0.770 60.5-120.6 -97.3 131.5 18.8 4.7 -9.7 50 53 A D >> - 0 0 87 -2,-0.4 4,-1.3 1,-0.2 3,-1.2 -0.719 18.6-145.7 -75.9 118.5 22.5 4.8 -10.3 51 54 A P H 3> S+ 0 0 31 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.814 95.1 58.7 -58.0 -30.6 23.8 7.5 -8.0 52 55 A K H 34 S+ 0 0 168 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.832 108.7 43.1 -68.8 -30.8 26.5 8.5 -10.4 53 56 A Q H <4 S+ 0 0 131 -3,-1.2 -1,-0.2 1,-0.2 4,-0.0 0.692 103.8 61.1 -97.5 -8.6 24.0 9.3 -13.2 54 57 A V H >< S+ 0 0 10 -4,-1.3 3,-2.2 2,-0.1 -18,-0.3 0.649 73.9 114.1 -85.7 -15.2 21.4 11.2 -11.3 55 58 A I T 3< S+ 0 0 81 -4,-0.6 -18,-0.2 1,-0.3 3,-0.1 -0.389 83.1 18.5 -59.8 129.2 23.7 14.0 -10.2 56 59 A G T 3 S+ 0 0 52 -20,-2.4 -1,-0.3 1,-0.4 -19,-0.1 0.174 97.9 118.5 97.8 -16.4 22.7 17.2 -11.8 57 60 A K S < S- 0 0 99 -3,-2.2 -21,-2.6 -22,-0.1 2,-0.7 -0.368 73.2-102.9 -78.2 163.3 19.1 16.1 -12.7 58 61 A N B >> -E 35 0B 30 -23,-0.2 4,-2.1 1,-0.2 5,-2.0 -0.771 25.7-157.9 -91.5 118.3 16.1 17.8 -11.4 59 62 A F I 4>S+ 0 0 5 -25,-2.9 5,-2.8 -2,-0.7 8,-0.2 0.906 87.8 38.9 -60.5 -49.5 14.5 15.7 -8.6 60 63 A F I 45S+ 0 0 3 -26,-0.2 8,-0.2 -27,-0.2 -1,-0.2 0.799 123.8 36.9 -77.9 -29.5 11.0 17.0 -8.8 61 64 A K I 45S+ 0 0 151 -27,-0.1 -2,-0.2 6,-0.1 -1,-0.1 0.875 134.2 7.8 -85.6 -44.5 10.6 17.4 -12.5 62 65 A D I <5S+ 0 0 84 -4,-2.1 -3,-0.2 2,-0.1 -2,-0.1 0.801 126.7 38.4-115.3 -48.8 12.5 14.4 -13.9 63 66 A V I < + 0 0 12 -5,-2.8 3,-2.3 -6,-0.3 4,-0.3 -0.536 61.3 161.2-129.6 62.5 10.8 11.7 -8.8 65 68 A P G > S+ 0 0 46 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.802 74.0 67.7 -61.1 -28.0 7.6 13.0 -10.3 66 69 A C G 3 S+ 0 0 34 1,-0.3 26,-0.1 -3,-0.1 -6,-0.1 0.747 95.5 57.1 -64.9 -17.4 5.5 11.3 -7.7 67 70 A T G < S+ 0 0 0 -3,-2.3 6,-2.2 -8,-0.2 2,-1.7 0.479 76.4 102.2 -91.0 -3.9 7.1 13.7 -5.2 68 71 A D < + 0 0 96 -3,-1.8 -1,-0.1 -4,-0.3 3,-0.0 -0.634 62.1 101.1 -81.9 83.8 5.8 16.7 -7.2 69 72 A S S > >S- 0 0 23 -2,-1.7 5,-2.7 1,-0.0 3,-1.3 -0.969 88.8-101.1-157.2 162.9 2.9 17.3 -4.8 70 73 A P T 3 >S+ 0 0 96 0, 0.0 5,-0.6 0, 0.0 6,-0.0 0.825 118.7 61.3 -61.3 -30.4 2.0 19.7 -2.0 71 74 A E T 3 5S+ 0 0 112 3,-0.2 -3,-0.1 4,-0.1 -4,-0.0 0.668 126.1 6.3 -73.0 -19.0 2.8 17.0 0.5 72 75 A F T <>5S+ 0 0 0 -3,-1.3 4,-2.3 -5,-0.3 3,-0.4 0.505 137.6 32.8-127.8 -81.2 6.5 16.7 -0.6 73 76 A Y H >5S+ 0 0 65 -6,-2.2 4,-2.9 -4,-0.2 5,-0.3 0.890 119.5 55.2 -51.0 -42.4 7.7 19.3 -3.1 74 77 A G H >