==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTORECEPTOR 06-FEB-98 3PHY . COMPND 2 MOLECULE: PHOTOACTIVE YELLOW PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALORHODOSPIRA HALOPHILA; . AUTHOR P.DUX,G.RUBINSTENN,G.W.VUISTER,R.BOELENS,F.A.A.MULDER, . 125 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 64.0 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 . 26 20.8 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 . 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 . 15 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.2 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 0 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 1 0 1 0 1 0 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 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 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 M 0 0 225 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 155.0 21.1 -2.5 11.4 2 2 A E - 0 0 149 1,-0.3 3,-0.1 0, 0.0 0, 0.0 -0.525 360.0 -66.3-115.2-174.3 17.6 -3.7 12.3 3 3 A H S S- 0 0 173 1,-0.2 -1,-0.3 -2,-0.2 0, 0.0 0.116 87.7 -44.6 -59.4-173.3 15.0 -5.8 10.4 4 4 A V - 0 0 59 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.275 67.1-123.9 -56.5 138.6 13.4 -4.4 7.2 5 5 A A - 0 0 48 1,-0.2 22,-0.2 -3,-0.1 4,-0.1 -0.662 5.4-139.0 -86.0 140.4 12.4 -0.7 7.8 6 6 A F S S+ 0 0 35 -2,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.999 112.0 37.5 -61.3 -64.2 8.8 0.3 7.1 7 7 A G S > S+ 0 0 37 -3,-0.1 4,-1.3 3,-0.1 -1,-0.2 0.867 103.8 168.7 -53.2 -27.7 9.7 3.5 5.4 8 8 A S T 4 - 0 0 30 2,-0.1 2,-1.6 1,-0.1 3,-0.3 0.176 52.7 -8.2 43.3-168.7 12.5 1.3 4.1 9 9 A E T 4 S- 0 0 125 1,-0.2 5,-0.3 -4,-0.1 -1,-0.1 -0.318 116.0 -71.0 -55.4 84.6 14.7 2.4 1.2 10 10 A D T > - 0 0 113 -2,-1.6 4,-2.0 3,-0.1 -1,-0.2 0.797 64.9-169.1 22.4 74.7 12.8 5.6 0.3 11 11 A I H >X S+ 0 0 4 -4,-1.3 4,-1.9 -3,-0.3 3,-0.5 0.983 75.8 56.5 -54.2 -67.3 9.9 3.6 -1.1 12 12 A E H 3> S+ 0 0 47 1,-0.3 4,-1.3 2,-0.2 3,-0.3 0.835 109.7 47.3 -35.1 -47.6 8.0 6.4 -2.8 13 13 A N H >> S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.962 114.9 45.1 -63.7 -47.8 11.1 7.4 -4.9 14 14 A T H << S+ 0 0 13 -4,-2.0 4,-0.4 -3,-0.5 -1,-0.2 0.662 112.7 54.1 -69.6 -13.3 11.7 3.7 -5.8 15 15 A L H 3< S+ 0 0 8 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.674 105.0 51.8 -95.4 -16.4 7.9 3.4 -6.6 16 16 A A H << S+ 0 0 56 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.1 0.782 132.5 14.8 -87.7 -27.2 7.9 6.4 -9.0 17 17 A K S < S- 0 0 183 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.383 103.9-133.0-124.0 -1.1 10.8 5.0 -11.0 18 18 A M - 0 0 57 -4,-0.4 -3,-0.2 -5,-0.3 2,-0.1 0.242 18.1-120.8 63.5 159.5 10.9 1.4 -9.8 19 19 A D > - 0 0 67 -5,-0.1 3,-1.4 -4,-0.0 5,-0.0 -0.265 50.1 -52.4-116.6-154.2 14.2 -0.2 -8.8 20 20 A D T 3 S+ 0 0 163 1,-0.3 2,-0.9 2,-0.1 -1,-0.0 0.947 139.3 10.2 -49.3 -83.8 16.2 -3.3 -10.0 21 21 A G T > S- 0 0 51 1,-0.1 3,-1.8 -3,-0.0 -1,-0.3 -0.221 123.6 -85.8 -89.9 47.7 13.4 -5.9 -9.7 22 22 A Q T < - 0 0 89 -3,-1.4 22,-0.2 -2,-0.9 -2,-0.1 0.826 68.3 -84.5 55.2 26.6 10.9 -3.1 -9.1 23 23 A L T > S+ 0 0 28 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.890 87.9 147.2 43.2 44.0 12.0 -3.5 -5.4 24 24 A D T < + 0 0 51 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.405 51.3 78.0 -88.3 4.5 9.4 -6.4 -5.2 25 25 A G T 3 S+ 0 0 78 19,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.057 70.6 113.3-100.4 27.9 11.6 -8.2 -2.7 26 26 A L S < S- 0 0 29 -3,-0.5 3,-0.1 2,-0.1 4,-0.0 -0.157 72.5-125.1 -84.6-172.0 10.6 -6.0 0.3 27 27 A A S S+ 0 0 44 -22,-0.2 97,-1.4 1,-0.2 2,-0.5 0.442 94.1 62.3-112.4 -5.9 8.7 -7.1 3.3 28 28 A F E S-A 123 0A 0 95,-0.2 95,-0.3 -23,-0.1 -1,-0.2 -0.955 85.7-126.6-124.1 117.2 5.9 -4.4 3.0 29 29 A G E -A 122 0A 1 93,-1.8 93,-1.8 -2,-0.5 2,-0.6 -0.303 23.2-147.3 -57.1 141.0 3.7 -4.4 -0.1 30 30 A A E +A 121 0A 0 12,-1.1 2,-0.3 91,-0.2 91,-0.2 -0.932 21.8 175.4-117.2 114.8 3.9 -0.9 -1.7 31 31 A I E -A 120 0A 0 89,-0.9 89,-1.3 -2,-0.6 11,-0.2 -0.891 12.2-158.3-118.2 150.1 0.7 0.2 -3.4 32 32 A Q - 0 0 14 9,-1.9 8,-0.9 -2,-0.3 2,-0.3 -0.701 5.3-160.3-117.5 172.5 -0.2 3.5 -5.1 33 33 A L E -D 39 0B 0 6,-0.3 85,-1.1 -2,-0.2 2,-0.5 -0.997 9.7-140.4-152.8 149.5 -3.5 5.2 -5.8 34 34 A D E >> -D 38 0B 80 4,-1.2 4,-1.4 -2,-0.3 3,-1.4 -0.955 59.5 -63.6-119.2 133.2 -4.8 7.9 -8.1 35 35 A G T 34 S+ 0 0 54 81,-0.5 -1,-0.1 -2,-0.5 82,-0.0 0.415 135.7 38.4 -7.6 70.0 -7.5 10.5 -7.1 36 36 A D T 34 S- 0 0 111 2,-0.1 -1,-0.3 0, 0.0 25,-0.0 0.102 124.6 -88.0 161.3 -23.8 -10.2 7.9 -6.7 37 37 A G T <4 S+ 0 0 0 -3,-1.4 25,-1.9 1,-0.3 2,-0.6 0.678 72.2 155.4 100.7 23.0 -8.3 4.9 -5.1 38 38 A N E < -DE 34 61B 56 -4,-1.4 -4,-1.2 23,-0.2 -1,-0.3 -0.718 48.8-114.0 -86.1 123.5 -7.3 3.3 -8.4 39 39 A I E +D 33 0B 8 21,-1.3 20,-0.7 -2,-0.6 -6,-0.3 -0.274 34.0 177.8 -56.3 136.2 -4.2 1.2 -7.9 40 40 A L S S- 0 0 50 -8,-0.9 2,-0.3 1,-0.5 -1,-0.2 0.680 72.8 -9.9-108.1 -30.8 -1.1 2.6 -9.8 41 41 A Q + 0 0 22 -9,-0.3 -9,-1.9 1,-0.1 -1,-0.5 -0.974 51.8 176.8-160.0 160.6 1.3 -0.1 -8.6 42 42 A Y - 0 0 1 -2,-0.3 -12,-1.1 -11,-0.2 4,-0.3 0.525 29.3-146.2-140.1 -42.5 1.2 -2.9 -5.9 43 43 A N - 0 0 3 -14,-0.2 4,-0.5 1,-0.1 10,-0.2 -0.168 29.7 -89.5 87.5 171.6 4.5 -4.9 -6.0 44 44 A A S > S+ 0 0 32 -22,-0.2 4,-0.9 3,-0.1 5,-0.2 0.640 107.3 77.6 -96.3 -15.4 4.9 -8.7 -5.4 45 45 A A H >> S+ 0 0 14 2,-0.2 4,-1.3 -17,-0.2 3,-0.9 0.995 110.2 23.6 -58.8 -67.5 5.5 -8.6 -1.6 46 46 A E H >>>S+ 0 0 10 -4,-0.3 4,-2.2 1,-0.3 3,-0.7 0.948 123.5 56.2 -63.7 -44.9 1.9 -8.1 -0.5 47 47 A G H 345S+ 0 0 1 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.682 104.3 56.8 -61.1 -13.9 0.6 -9.6 -3.8 48 48 A D H <<5S+ 0 0 123 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.831 107.2 45.7 -87.2 -32.7 2.7 -12.7 -2.9 49 49 A I H <<5S+ 0 0 66 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.1 0.946 134.6 17.0 -73.5 -48.5 0.9 -13.2 0.5 50 50 A T T <5S- 0 0 26 -4,-2.2 -3,-0.2 50,-0.1 -2,-0.2 0.764 101.3-123.7 -95.1 -29.5 -2.6 -12.7 -0.9 51 51 A G < + 0 0 39 -5,-0.7 -4,-0.2 -7,-0.1 -3,-0.1 0.427 68.2 132.4 100.9 -2.7 -1.8 -13.2 -4.6 52 52 A R - 0 0 17 -6,-0.3 5,-0.3 4,-0.1 4,-0.3 0.950 38.7-178.0 -47.5 -58.7 -3.2 -9.8 -5.7 53 53 A D > - 0 0 51 -10,-0.2 4,-1.8 3,-0.2 -9,-0.1 0.263 37.7-103.4 68.5 152.4 -0.2 -8.8 -7.8 54 54 A P H > S+ 0 0 29 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.932 117.4 54.7 -77.8 -50.8 -0.0 -5.4 -9.5 55 55 A K H 4 S+ 0 0 159 1,-0.2 -2,-0.1 2,-0.2 -3,-0.0 0.751 117.2 41.5 -58.0 -18.5 -0.8 -6.5 -13.1 56 56 A Q H 4 S+ 0 0 129 -4,-0.3 -1,-0.2 1,-0.1 -3,-0.2 0.858 118.1 41.8 -96.1 -43.2 -4.0 -8.1 -11.7 57 57 A V H >< S+ 0 0 7 -4,-1.8 3,-1.2 -5,-0.3 2,-0.4 0.441 86.7 121.3 -82.5 4.0 -5.0 -5.4 -9.2 58 58 A I T 3< S+ 0 0 91 -4,-1.3 -18,-0.1 1,-0.3 3,-0.1 -0.526 84.9 12.4 -70.0 123.6 -4.2 -2.8 -11.8 59 59 A G T 3 S+ 0 0 47 -20,-0.7 2,-0.4 -2,-0.4 -1,-0.3 0.107 103.4 116.5 95.8 -22.9 -7.4 -0.8 -12.4 60 60 A K S < S- 0 0 86 -3,-1.2 -21,-1.3 -4,-0.1 -1,-0.3 -0.631 74.2-118.4 -80.0 130.6 -8.9 -2.4 -9.3 61 61 A N B >> -E 38 0B 14 -2,-0.4 4,-1.2 -23,-0.2 5,-0.8 -0.504 14.6-148.3 -68.2 125.5 -9.8 0.1 -6.6 62 62 A F T 45S+ 0 0 1 -25,-1.9 8,-0.2 -2,-0.3 -1,-0.2 0.590 94.3 54.0 -71.9 -6.2 -7.7 -0.8 -3.5 63 63 A F T 45S- 0 0 8 -26,-0.5 8,-0.4 3,-0.1 -1,-0.2 0.857 133.9 -5.8 -96.4 -41.7 -10.5 0.6 -1.4 64 64 A K T 45S+ 0 0 136 -27,-0.2 -2,-0.1 6,-0.1 -27,-0.0 0.536 132.9 52.6-128.8 -15.4 -13.6 -1.3 -2.6 65 65 A D T <5S+ 0 0 92 -4,-1.2 -3,-0.2 2,-0.2 -5,-0.0 0.489 127.3 16.6-101.7 -2.3 -12.5 -3.4 -5.6 66 66 A V S - 0 0 3 -6,-0.5 3,-0.6 -5,-0.1 4,-0.3 -0.921 55.3-169.4-129.0 106.7 -9.9 -4.7 -0.2 68 68 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.437 87.7 60.3 -74.6 2.4 -13.5 -4.2 1.2 69 69 A C T 3 S+ 0 0 34 1,-0.1 6,-0.2 3,-0.0 7,-0.2 0.733 90.2 64.9 -99.3 -27.7 -12.0 -3.4 4.6 70 70 A T S < S+ 0 0 0 -3,-0.6 6,-1.4 1,-0.2 2,-1.1 0.602 81.5 84.9 -72.1 -6.0 -9.9 -0.4 3.5 71 71 A D S S+ 0 0 76 -8,-0.4 -1,-0.2 -4,-0.3 -8,-0.1 -0.257 75.6 97.2 -89.7 51.7 -13.2 1.4 2.7 72 72 A S S >S- 0 0 52 -2,-1.1 5,-1.4 -3,-0.2 4,-0.4 -0.727 92.1 -96.8-128.4 178.8 -13.6 2.6 6.3 73 73 A P T 5S+ 0 0 90 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 0.446 121.7 50.3 -78.1 -0.2 -12.9 5.7 8.4 74 74 A E T 5S+ 0 0 107 3,-0.2 4,-0.2 4,-0.1 -4,-0.1 0.706 125.1 21.2-107.8 -28.2 -9.6 4.2 9.6 75 75 A F T >5S+ 0 0 0 -6,-0.2 4,-0.9 2,-0.1 -4,-0.2 0.807 142.3 23.0-102.7 -69.1 -8.1 3.1 6.2 76 76 A Y H >5S+ 0 0 69 -6,-1.4 4,-2.0 -4,-0.4 5,-0.2 0.750 120.2 68.7 -69.7 -17.9 -9.9 5.2 3.6 77 77 A G H >> S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 11,-0.2 0.721 115.4 58.5 -63.4 -15.6 -6.9 8.8 6.9 79 79 A F H 3X S+ 0 0 4 -4,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.859 103.9 48.1 -81.7 -34.8 -6.7 8.7 3.1 80 80 A K H << S+ 0 0 111 -4,-2.0 4,-0.5 -3,-0.5 -2,-0.2 0.609 115.3 48.4 -79.2 -8.1 -9.5 11.1 2.7 81 81 A E H X S+ 0 0 123 -4,-0.9 4,-0.9 -5,-0.2 -2,-0.2 0.836 112.0 45.0 -96.1 -42.5 -7.7 13.3 5.3 82 82 A G H X>S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 5,-1.4 0.921 113.2 52.4 -66.8 -41.2 -4.3 13.1 3.8 83 83 A V H <5S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.908 116.9 38.4 -62.0 -40.1 -5.8 13.8 0.3 84 84 A A H 45S+ 0 0 86 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.536 114.3 57.0 -88.6 -4.9 -7.6 16.9 1.7 85 85 A S H <5S- 0 0 73 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.2 0.741 102.7-126.2 -96.1 -25.6 -4.6 17.8 3.9 86 86 A G T <5S+ 0 0 44 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.801 94.2 62.2 85.9 28.9 -2.0 18.0 1.1 87 87 A N S > - 0 0 2 -2,-0.9 5,-1.1 1,-0.2 3,-0.7 -0.214 6.9-139.3 -53.7 140.5 3.5 9.7 -3.3 113 113 A L T 3 5S+ 0 0 120 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.351 77.7 106.6 -86.9 9.6 5.9 12.4 -4.6 114 114 A S T 3 5S- 0 0 72 1,-0.1 -1,-0.2 -102,-0.0 -2,-0.1 0.767 114.0 -75.2 -59.7 -19.2 5.1 11.4 -8.2 115 115 A G T < 5S- 0 0 56 -3,-0.7 -1,-0.1 2,-0.0 -2,-0.1 0.036 107.7 -11.2 148.8 -29.5 3.1 14.7 -8.4 116 116 A D T 5S+ 0 0 101 -4,-0.0 -81,-0.5 0, 0.0 2,-0.2 0.015 90.1 127.1 168.0 68.7 -0.1 13.9 -6.3 117 117 A S < - 0 0 3 -5,-1.1 2,-0.3 -83,-0.1 -83,-0.2 -0.541 45.6-131.1-124.2-168.1 -0.7 10.3 -5.5 118 118 A Y - 0 0 22 -85,-1.1 2,-0.4 -7,-0.2 -7,-0.2 -0.870 20.1-172.2-151.0 112.3 -1.4 8.1 -2.4 119 119 A W E - C 0 110A 7 -9,-2.3 -9,-1.9 -2,-0.3 2,-0.6 -0.888 10.0-159.2-114.7 141.0 0.4 4.9 -1.5 120 120 A V E -AC 31 109A 2 -89,-1.3 -89,-0.9 -2,-0.4 2,-0.6 -0.919 8.9-161.9-116.4 108.6 -0.4 2.4 1.3 121 121 A F E -AC 30 108A 0 -13,-2.0 -13,-1.7 -2,-0.6 2,-0.7 -0.785 4.0-160.4 -92.5 121.3 2.6 0.2 2.3 122 122 A V E -AC 29 107A 8 -93,-1.8 -93,-1.8 -2,-0.6 2,-0.8 -0.871 0.9-162.8-104.0 117.3 1.5 -2.9 4.2 123 123 A K E -AC 28 106A 23 -17,-2.1 -17,-2.1 -2,-0.7 -95,-0.2 -0.833 22.9-127.7 -99.0 110.6 4.3 -4.5 6.3 124 124 A R E C 0 105A 139 -97,-1.4 -19,-0.3 -2,-0.8 -21,-0.0 -0.288 360.0 360.0 -56.3 135.8 3.3 -8.1 7.2 125 125 A V 0 0 116 -21,-2.0 -21,-0.3 0, 0.0 -1,-0.1 -0.835 360.0 360.0 -98.1 360.0 3.7 -8.5 11.0