==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 19-JUN-03 1UGU . COMPND 2 MOLECULE: PHOTOACTIVE YELLOW PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALORHODOSPIRA HALOPHILA; . AUTHOR M.SUGISHIMA,Y.TANIMOTO,N.HAMADA,F.TOKUNAGA,K.FUKUYAMA . 122 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 63.9 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 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 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 . 4 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.3 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 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 75 0, 0.0 23,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.9 20.0 -16.9 0.0 2 5 A A > - 0 0 60 1,-0.1 3,-2.0 21,-0.1 6,-0.1 -0.648 360.0-101.0 -93.9 143.1 17.4 -14.1 0.4 3 6 A F T 3 S+ 0 0 32 -2,-0.3 -1,-0.1 1,-0.3 117,-0.0 -0.333 109.6 20.9 -50.6 130.9 16.8 -11.1 -1.8 4 7 A G T 3 S+ 0 0 25 1,-0.2 -1,-0.3 101,-0.1 84,-0.0 0.523 83.5 162.6 85.3 5.4 18.4 -8.1 -0.3 5 8 A S X - 0 0 32 -3,-2.0 3,-1.5 1,-0.1 -1,-0.2 -0.322 45.7-125.3 -59.3 143.4 20.8 -10.0 2.0 6 9 A E T 3 S+ 0 0 153 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.754 109.5 31.2 -63.1 -29.7 23.7 -7.8 3.3 7 10 A D T >> S+ 0 0 82 1,-0.1 3,-1.6 2,-0.1 4,-1.4 -0.031 77.0 132.0-118.9 30.6 26.4 -10.2 1.9 8 11 A I H <> + 0 0 0 -3,-1.5 4,-2.4 1,-0.3 5,-0.2 0.825 69.4 59.7 -53.4 -35.9 24.5 -11.5 -1.1 9 12 A E H 3> S+ 0 0 33 1,-0.2 4,-1.3 -4,-0.2 101,-0.4 0.814 102.7 53.3 -66.3 -28.2 27.5 -10.9 -3.3 10 13 A N H <> S+ 0 0 74 -3,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.940 111.2 44.3 -68.8 -47.3 29.6 -13.3 -1.2 11 14 A T H >< S+ 0 0 40 -4,-1.4 3,-0.9 1,-0.2 -2,-0.2 0.910 114.9 47.3 -64.1 -44.5 27.1 -16.1 -1.5 12 15 A L H >< S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.786 98.6 69.2 -73.7 -25.0 26.5 -15.7 -5.2 13 16 A A H 3< S+ 0 0 59 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.778 100.1 51.5 -59.2 -26.7 30.3 -15.5 -5.9 14 17 A K T << S+ 0 0 165 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.3 0.462 94.9 99.2 -88.2 -4.0 30.4 -19.2 -5.0 15 18 A M < - 0 0 46 -3,-1.7 2,-0.1 -4,-0.1 -3,-0.0 -0.656 54.3-154.3 -97.5 141.8 27.6 -20.3 -7.3 16 19 A D > - 0 0 98 -2,-0.3 4,-2.7 1,-0.0 5,-0.2 -0.290 46.1 -81.8 -92.3-172.7 27.5 -21.9 -10.8 17 20 A D H > S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 127.4 49.8 -61.7 -47.5 24.8 -21.6 -13.4 18 21 A G H > S+ 0 0 53 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.887 113.1 46.9 -59.1 -41.3 22.5 -24.3 -12.0 19 22 A Q H >4 S+ 0 0 92 2,-0.2 3,-1.1 1,-0.2 4,-0.3 0.924 111.6 50.0 -68.6 -43.7 22.7 -22.8 -8.5 20 23 A L H >< S+ 0 0 6 -4,-2.7 3,-1.4 1,-0.3 22,-0.3 0.901 107.9 55.4 -60.5 -37.6 22.0 -19.3 -9.9 21 24 A D H 3< S+ 0 0 67 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.687 102.0 59.4 -67.7 -15.7 19.1 -20.8 -11.7 22 25 A G T << S+ 0 0 63 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.474 79.5 117.3 -90.6 -2.7 17.8 -22.1 -8.3 23 26 A L < - 0 0 15 -3,-1.4 19,-0.1 -4,-0.3 4,-0.1 -0.291 68.3-132.2 -66.3 152.6 17.6 -18.7 -6.7 24 27 A A S S+ 0 0 97 -23,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.572 89.0 49.3 -77.1 -13.5 14.2 -17.4 -5.6 25 28 A F S S- 0 0 5 95,-0.1 18,-0.3 -23,-0.0 17,-0.3 -0.861 96.1 -91.5-126.3 157.8 14.8 -14.0 -7.3 26 29 A G E -A 119 0A 0 93,-2.6 93,-2.1 16,-0.3 2,-0.4 -0.499 41.5-169.7 -67.3 140.4 15.9 -12.8 -10.7 27 30 A A E +A 118 0A 3 91,-0.2 13,-2.2 -2,-0.2 2,-0.4 -0.983 9.4 174.7-141.0 121.0 19.7 -12.3 -10.9 28 31 A I E -AB 117 39A 0 89,-2.5 89,-2.8 -2,-0.4 2,-0.5 -0.959 16.2-152.5-119.5 139.2 21.6 -10.6 -13.8 29 32 A Q E -AB 116 38A 16 9,-2.2 8,-3.2 -2,-0.4 9,-1.5 -0.985 17.3-175.5-113.8 130.3 25.3 -9.9 -13.9 30 33 A L E -AB 115 36A 0 85,-3.0 85,-2.5 -2,-0.5 6,-0.2 -0.888 21.3-128.7-115.2 150.7 26.4 -7.0 -16.0 31 34 A D > - 0 0 26 4,-2.2 3,-2.1 -2,-0.3 83,-0.2 -0.305 48.4 -86.6 -82.8 179.4 29.8 -5.6 -16.9 32 35 A G T 3 S+ 0 0 19 81,-0.3 48,-0.1 1,-0.3 82,-0.1 0.755 130.6 53.0 -63.4 -22.7 30.6 -1.9 -16.4 33 36 A D T 3 S- 0 0 126 2,-0.1 -1,-0.3 0, 0.0 44,-0.0 0.453 121.4-105.2 -90.0 -1.1 29.2 -1.1 -19.8 34 37 A G < + 0 0 0 -3,-2.1 25,-2.8 1,-0.3 26,-0.3 0.608 68.3 149.1 87.3 11.1 25.9 -2.9 -19.1 35 38 A N B -E 58 0B 49 23,-0.2 -4,-2.2 24,-0.1 2,-0.5 -0.628 53.4-110.4 -79.1 140.9 26.5 -6.0 -21.3 36 39 A I E +B 30 0A 2 21,-2.8 20,-2.5 18,-0.3 -6,-0.2 -0.605 41.4 167.5 -80.5 119.7 24.9 -9.1 -19.9 37 40 A L E S+ 0 0 70 -8,-3.2 2,-0.3 -2,-0.5 -7,-0.2 0.776 71.1 8.5 -93.8 -37.8 27.3 -11.7 -18.5 38 41 A Q E -B 29 0A 43 -9,-1.5 -9,-2.2 16,-0.1 -1,-0.3 -0.983 57.2-179.4-146.7 152.0 24.8 -13.9 -16.7 39 42 A Y E -B 28 0A 14 -2,-0.3 -11,-0.2 -11,-0.2 16,-0.1 -0.894 21.2-142.6-159.1 116.0 21.0 -14.1 -16.5 40 43 A N > - 0 0 3 -13,-2.2 4,-1.7 -2,-0.3 3,-0.2 -0.259 23.3-109.1 -91.6 173.6 19.2 -16.7 -14.4 41 44 A A H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.880 115.3 57.2 -67.1 -38.4 16.0 -18.7 -14.9 42 45 A A H > S+ 0 0 16 -17,-0.3 4,-0.9 -22,-0.3 -16,-0.3 0.868 105.5 52.1 -62.8 -35.8 14.0 -16.8 -12.3 43 46 A Q H >> S+ 0 0 2 -18,-0.3 4,-2.2 -3,-0.2 3,-1.0 0.941 107.8 50.7 -64.0 -47.7 14.7 -13.6 -14.2 44 47 A G H 3X S+ 0 0 9 -4,-1.7 4,-2.4 1,-0.3 -2,-0.2 0.824 103.6 60.3 -62.5 -29.0 13.4 -15.1 -17.5 45 48 A D H 3< S+ 0 0 127 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.774 111.3 40.9 -65.4 -28.1 10.3 -16.2 -15.6 46 49 A I H << S+ 0 0 20 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.870 127.2 28.9 -82.3 -39.1 9.6 -12.6 -14.8 47 50 A T H < S- 0 0 8 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.574 93.4-123.2-106.4 -13.7 10.5 -11.0 -18.2 48 51 A G < + 0 0 70 -4,-2.4 2,-0.3 1,-0.3 -4,-0.1 0.557 65.1 136.6 78.4 7.4 9.9 -13.7 -20.9 49 52 A R - 0 0 36 -6,-0.2 -1,-0.3 -5,-0.1 -2,-0.2 -0.685 60.7-119.7 -86.9 143.2 13.5 -13.5 -22.1 50 53 A D >> - 0 0 83 -2,-0.3 4,-1.6 1,-0.2 3,-1.5 -0.719 18.7-151.3 -78.4 115.7 15.4 -16.7 -22.9 51 54 A P T 34 S+ 0 0 28 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.768 93.6 58.9 -60.6 -27.8 18.4 -16.6 -20.5 52 55 A K T 34 S+ 0 0 154 1,-0.2 -2,-0.0 2,-0.1 -12,-0.0 0.749 112.3 38.4 -73.0 -23.6 20.5 -18.6 -22.9 53 56 A Q T <4 S+ 0 0 123 -3,-1.5 -1,-0.2 1,-0.1 4,-0.1 0.646 102.2 64.5-106.2 -18.1 20.1 -15.9 -25.7 54 57 A V S >< S+ 0 0 11 -4,-1.6 3,-2.1 2,-0.1 -18,-0.3 0.651 73.9 114.8 -78.5 -13.4 20.3 -12.5 -23.9 55 58 A I T 3 S+ 0 0 77 -4,-0.5 -18,-0.2 1,-0.2 3,-0.1 -0.384 80.0 20.6 -56.8 129.0 23.9 -13.2 -22.8 56 59 A G T 3 S+ 0 0 56 -20,-2.5 -1,-0.2 1,-0.4 -19,-0.1 0.132 98.0 115.9 98.0 -18.7 26.1 -10.7 -24.6 57 60 A K S < S- 0 0 98 -3,-2.1 -21,-2.8 -21,-0.1 2,-0.6 -0.392 74.2-104.4 -79.2 162.7 23.4 -8.1 -25.3 58 61 A N B >> -E 35 0B 27 -23,-0.2 4,-2.2 1,-0.2 5,-1.8 -0.780 23.8-154.9 -91.6 122.1 23.4 -4.7 -23.8 59 62 A F I 4>S+ 0 0 7 -25,-2.8 5,-2.9 -2,-0.6 8,-0.2 0.904 90.1 38.9 -61.2 -45.7 20.8 -4.5 -21.0 60 63 A F I 45S+ 0 0 3 -26,-0.3 8,-0.2 3,-0.2 -1,-0.2 0.813 123.8 36.7 -81.2 -32.0 20.2 -0.7 -21.2 61 64 A K I 45S+ 0 0 149 -27,-0.1 -2,-0.2 6,-0.1 -1,-0.1 0.892 133.9 9.3 -85.0 -44.7 20.3 -0.3 -25.0 62 65 A D I <5S+ 0 0 83 -4,-2.2 -3,-0.2 2,-0.1 -2,-0.1 0.820 126.5 36.3-109.9 -46.7 18.6 -3.4 -26.3 63 66 A V I < + 0 0 13 -5,-2.9 3,-2.1 -6,-0.3 4,-0.3 -0.565 61.5 163.7-132.2 64.0 15.4 -3.3 -21.2 65 68 A P G > S+ 0 0 48 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.802 72.8 67.8 -61.5 -27.2 14.9 0.1 -22.7 66 69 A C G 3 S+ 0 0 33 1,-0.3 26,-0.1 6,-0.0 -6,-0.1 0.727 95.1 58.6 -63.8 -18.2 12.5 1.2 -19.9 67 70 A T G < S+ 0 0 0 -3,-2.1 6,-2.3 -8,-0.2 2,-1.6 0.475 75.5 101.6 -88.5 -5.2 15.5 1.1 -17.5 68 71 A D < + 0 0 94 -3,-1.8 -1,-0.1 -4,-0.3 3,-0.0 -0.652 63.7 99.6 -80.4 86.6 17.4 3.6 -19.6 69 72 A S S > >S- 0 0 20 -2,-1.6 5,-2.6 1,-0.1 3,-1.1 -0.962 89.8-100.3-164.6 157.9 16.6 6.5 -17.2 70 73 A P T 3 >S+ 0 0 96 0, 0.0 5,-0.6 0, 0.0 6,-0.1 0.843 118.9 61.6 -57.0 -32.5 18.2 8.4 -14.4 71 74 A E T 3 5S+ 0 0 114 3,-0.2 -3,-0.1 4,-0.1 -4,-0.1 0.670 126.1 5.0 -71.4 -20.2 16.2 6.3 -11.9 72 75 A F T <>5S+ 0 0 0 -3,-1.1 4,-2.3 -5,-0.2 3,-0.4 0.545 137.5 34.8-127.8 -73.9 17.8 3.0 -13.0 73 76 A Y H >5S+ 0 0 88 -6,-2.3 4,-2.8 1,-0.2 5,-0.2 0.891 117.9 57.0 -54.1 -41.2 20.7 3.2 -15.5 74 77 A G H > S- 0 0 62 1,-0.1 3,-0.8 2,-0.0 -2,-0.2 -0.356 98.4 -78.2 -72.6 158.3 34.7 -10.7 -9.5 112 115 A G T 3 S- 0 0 70 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.238 103.6 -4.7 -66.8 137.6 36.3 -8.1 -11.8 113 116 A D T 3 S+ 0 0 94 1,-0.2 2,-0.3 -4,-0.1 -81,-0.3 0.873 101.4 126.0 50.6 46.6 34.2 -5.7 -13.9 114 117 A S < - 0 0 1 -3,-0.8 -5,-2.2 -5,-0.2 2,-0.4 -0.999 35.7-177.2-138.7 143.2 30.9 -7.3 -12.8 115 118 A Y E -AD 30 108A 23 -85,-2.5 -85,-3.0 -2,-0.3 2,-0.3 -0.998 19.6-134.4-139.8 127.6 27.7 -5.9 -11.2 116 119 A W E -AD 29 107A 6 -9,-2.9 -9,-2.1 -2,-0.4 2,-0.5 -0.655 11.3-167.7 -85.3 141.9 24.6 -7.7 -10.0 117 120 A V E -AD 28 106A 0 -89,-2.8 -89,-2.5 -2,-0.3 2,-0.4 -0.989 13.6-170.1-123.5 116.8 21.1 -6.6 -10.8 118 121 A F E -AD 27 105A 0 -13,-2.9 -13,-2.5 -2,-0.5 2,-0.4 -0.873 3.7-173.3-110.4 143.1 18.6 -8.6 -8.6 119 122 A V E +AD 26 104A 0 -93,-2.1 -93,-2.6 -2,-0.4 2,-0.3 -0.995 10.7 173.2-140.0 138.2 14.8 -8.4 -9.2 120 123 A K E - D 0 103A 89 -17,-2.1 -17,-2.6 -2,-0.4 2,-0.1 -0.986 35.8-104.4-139.1 153.6 11.7 -9.7 -7.5 121 124 A R E D 0 102A 140 -2,-0.3 -19,-0.3 -19,-0.2 -75,-0.0 -0.412 360.0 360.0 -68.7 147.8 8.0 -9.2 -8.0 122 125 A V 0 0 97 -21,-1.8 -21,-0.2 -2,-0.1 -1,-0.0 -0.902 360.0 360.0-127.7 360.0 6.1 -6.8 -5.8