==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 08-JAN-02 1GSV . COMPND 2 MOLECULE: PHOTOACTIVE YELLOW PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ECTOTHIORHODOSPIRA HALOPHILA; . AUTHOR D.M.F.VAN AALTEN,W.CRIELAARD,K.J.HELLINGWERF,L.JOSHUA-TOR . 122 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 64.8 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 . 31 25.4 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 . 16 13.1 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 2 0 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 0 1 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 88 0, 0.0 23,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 148.2 20.3 17.0 -12.5 2 5 A A > - 0 0 61 1,-0.1 3,-1.8 21,-0.1 6,-0.1 -0.568 360.0 -96.9 -93.0 149.8 17.8 14.2 -12.7 3 6 A F T 3 S+ 0 0 31 1,-0.3 -1,-0.1 -2,-0.2 117,-0.0 -0.303 109.5 21.2 -57.8 135.1 17.2 11.1 -10.6 4 7 A G T 3 S+ 0 0 27 1,-0.2 -1,-0.3 101,-0.1 -2,-0.0 0.484 82.0 164.7 84.3 1.8 18.8 8.0 -12.2 5 8 A S X - 0 0 33 -3,-1.8 3,-1.7 1,-0.1 -1,-0.2 -0.237 45.9-123.2 -54.6 140.4 21.3 10.0 -14.4 6 9 A E T 3 S+ 0 0 189 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.735 110.5 28.2 -58.7 -25.1 24.0 7.8 -15.8 7 10 A D T >> S+ 0 0 85 1,-0.1 3,-1.4 2,-0.1 4,-1.3 -0.075 76.5 135.3-128.2 32.4 26.7 10.0 -14.3 8 11 A I H <> + 0 0 1 -3,-1.7 4,-2.5 1,-0.3 5,-0.3 0.851 69.0 61.2 -51.4 -37.2 24.8 11.4 -11.3 9 12 A E H 3> S+ 0 0 22 -4,-0.2 4,-1.5 1,-0.2 101,-0.4 0.814 100.6 54.0 -63.6 -29.4 27.9 10.7 -9.0 10 13 A N H <> S+ 0 0 74 -3,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.924 110.7 46.4 -67.1 -45.6 30.0 13.1 -11.0 11 14 A T H < S+ 0 0 24 -4,-1.3 3,-0.5 1,-0.2 -2,-0.2 0.917 116.2 42.9 -63.8 -46.3 27.5 15.9 -10.7 12 15 A L H >< S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.745 99.5 72.7 -75.4 -22.4 27.0 15.4 -6.9 13 16 A A H 3< S+ 0 0 54 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.876 100.0 46.9 -58.8 -36.0 30.7 15.0 -6.2 14 17 A K T 3< S+ 0 0 155 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.3 0.353 94.6 100.8 -89.5 9.0 31.2 18.7 -6.9 15 18 A M < - 0 0 47 -3,-1.6 2,-0.2 -4,-0.1 -3,-0.0 -0.739 62.7-139.4 -98.6 139.1 28.2 19.9 -4.7 16 19 A D >> - 0 0 88 -2,-0.3 4,-1.7 1,-0.1 3,-1.3 -0.525 40.0 -98.2 -85.1 164.6 28.4 21.3 -1.2 17 20 A D H 3> S+ 0 0 103 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.535 124.8 63.0 -60.0 -7.6 25.7 20.2 1.3 18 21 A G H 34 S+ 0 0 37 2,-0.2 -1,-0.3 1,-0.1 4,-0.2 0.850 104.8 43.7 -84.2 -37.3 23.9 23.4 0.5 19 22 A Q H X4 S+ 0 0 98 -3,-1.3 3,-1.3 1,-0.2 4,-0.3 0.776 105.2 64.2 -76.7 -28.1 23.5 22.4 -3.1 20 23 A L H >< S+ 0 0 2 -4,-1.7 3,-1.4 1,-0.3 22,-0.3 0.858 96.2 58.7 -62.9 -33.8 22.4 18.9 -2.1 21 24 A D T 3< S+ 0 0 76 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.639 99.2 59.8 -70.6 -12.1 19.4 20.4 -0.4 22 25 A G T < S+ 0 0 67 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.487 78.6 115.4 -94.1 -2.6 18.4 21.8 -3.8 23 26 A L < - 0 0 17 -3,-1.4 19,-0.1 -4,-0.3 4,-0.1 -0.272 69.2-131.2 -66.5 153.7 18.1 18.5 -5.5 24 27 A A S S+ 0 0 100 -23,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.590 89.8 47.7 -80.3 -11.8 14.7 17.3 -6.8 25 28 A F S S- 0 0 7 95,-0.1 17,-0.3 1,-0.0 18,-0.3 -0.848 96.8 -89.2-127.3 163.2 15.2 13.9 -5.1 26 29 A G E -A 119 0A 0 93,-2.8 93,-2.1 16,-0.3 2,-0.4 -0.454 40.8-168.3 -71.3 144.2 16.3 12.6 -1.8 27 30 A A E +A 118 0A 0 91,-0.2 13,-2.2 -2,-0.1 2,-0.4 -0.961 10.5 177.6-141.3 120.3 20.0 12.0 -1.4 28 31 A I E -AB 117 39A 0 89,-2.5 89,-2.6 -2,-0.4 2,-0.5 -0.970 13.6-156.2-120.9 132.2 21.7 10.2 1.5 29 32 A Q E -AB 116 38A 26 9,-1.9 8,-3.3 -2,-0.4 9,-1.5 -0.954 18.3-178.2-110.5 130.1 25.5 9.7 1.5 30 33 A L E -AB 115 36A 0 85,-3.4 85,-3.4 -2,-0.5 6,-0.2 -0.868 22.4-128.3-124.1 156.0 26.8 6.7 3.6 31 34 A D E > -A 114 0A 41 4,-1.8 3,-1.7 -2,-0.3 83,-0.2 -0.334 51.5 -78.8 -89.8-176.0 30.1 5.3 4.5 32 35 A G T 3 S+ 0 0 19 81,-0.6 48,-0.1 1,-0.3 82,-0.1 0.712 130.6 46.7 -57.1 -26.1 31.0 1.6 4.0 33 36 A D T 3 S- 0 0 101 2,-0.1 -1,-0.3 47,-0.0 27,-0.2 0.431 122.5 -98.4 -97.6 0.3 29.2 0.5 7.1 34 37 A G < + 0 0 0 -3,-1.7 25,-2.7 1,-0.3 26,-0.2 0.538 69.2 151.2 98.1 6.2 26.0 2.5 6.5 35 38 A N B -E 58 0B 50 23,-0.2 -4,-1.8 24,-0.1 2,-0.5 -0.533 51.0-111.4 -73.9 139.0 26.7 5.5 8.8 36 39 A I E +B 30 0A 3 21,-2.9 20,-2.3 18,-0.3 -6,-0.2 -0.598 40.8 167.2 -79.4 121.5 25.1 8.7 7.5 37 40 A L E S+ 0 0 78 -8,-3.3 2,-0.3 -2,-0.5 -7,-0.2 0.753 71.9 9.1 -98.8 -36.7 27.4 11.3 6.2 38 41 A Q E -B 29 0A 43 -9,-1.5 -9,-1.9 16,-0.1 -1,-0.4 -0.992 54.4-176.3-145.8 150.4 24.8 13.6 4.5 39 42 A Y E -B 28 0A 11 -2,-0.3 -11,-0.2 -11,-0.2 16,-0.1 -0.839 23.9-146.2-150.8 102.9 21.0 13.7 4.5 40 43 A N > - 0 0 1 -13,-2.2 4,-1.8 -2,-0.3 3,-0.3 -0.099 24.0-105.8 -76.9 168.8 19.5 16.4 2.2 41 44 A A H > S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.879 115.0 58.2 -57.7 -43.0 16.3 18.5 2.5 42 45 A A H > S+ 0 0 15 -22,-0.3 4,-0.9 -17,-0.3 -16,-0.3 0.868 106.7 48.0 -57.3 -41.0 14.4 16.5 -0.1 43 46 A E H >> S+ 0 0 2 -3,-0.3 4,-2.5 -18,-0.3 3,-0.8 0.926 108.9 53.2 -67.6 -44.4 14.8 13.2 1.8 44 47 A S H 3X S+ 0 0 22 -4,-1.8 4,-2.6 1,-0.3 -1,-0.2 0.820 103.8 57.3 -61.4 -30.4 13.7 14.8 5.1 45 48 A D H 3< S+ 0 0 124 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.807 111.9 42.8 -69.2 -28.3 10.5 16.1 3.3 46 49 A I H << S+ 0 0 23 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.867 127.8 27.0 -83.0 -38.4 9.7 12.5 2.4 47 50 A T H < S- 0 0 11 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.624 92.4-125.7-103.2 -17.3 10.6 10.9 5.8 48 51 A G < + 0 0 69 -4,-2.6 2,-0.2 -5,-0.3 -4,-0.1 0.549 59.2 146.5 82.2 5.1 10.1 13.5 8.4 49 52 A R - 0 0 31 -6,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.552 49.5-131.2 -80.2 142.6 13.7 13.0 9.7 50 53 A D >> - 0 0 82 -2,-0.2 3,-1.3 1,-0.2 4,-0.9 -0.824 10.7-147.1 -91.1 115.3 15.7 15.9 11.1 51 54 A P H >> S+ 0 0 36 0, 0.0 4,-2.7 0, 0.0 3,-1.4 0.911 99.1 59.8 -48.4 -45.6 19.1 15.8 9.4 52 55 A K H 34 S+ 0 0 171 1,-0.3 -3,-0.0 2,-0.2 -2,-0.0 0.836 110.0 43.2 -51.0 -37.2 20.7 17.2 12.6 53 56 A Q H <4 S+ 0 0 124 -3,-1.3 -1,-0.3 1,-0.1 -4,-0.0 0.538 119.0 39.3 -91.5 -7.5 19.4 14.1 14.4 54 57 A V H X< S+ 0 0 10 -3,-1.4 3,-2.0 -4,-0.9 -18,-0.3 0.668 83.7 101.1-113.6 -22.7 20.2 11.4 11.8 55 58 A I T 3< S+ 0 0 83 -4,-2.7 -18,-0.2 1,-0.3 3,-0.1 -0.445 91.8 24.4 -63.6 129.6 23.7 12.4 10.5 56 59 A G T 3 S+ 0 0 56 -20,-2.3 -1,-0.3 1,-0.4 -19,-0.1 0.075 102.6 103.9 102.3 -24.2 26.2 10.2 12.3 57 60 A K S < S- 0 0 94 -3,-2.0 -21,-2.9 -22,-0.1 2,-0.5 -0.347 82.0 -97.1 -83.7 170.6 23.7 7.4 13.0 58 61 A N B >> -E 35 0B 21 -23,-0.2 4,-2.0 1,-0.1 5,-1.8 -0.811 24.5-151.8 -94.9 125.4 23.6 4.1 11.2 59 62 A F I 4>S+ 0 0 5 -25,-2.7 5,-3.5 -2,-0.5 8,-0.2 0.903 93.1 40.0 -59.6 -47.5 21.0 4.0 8.4 60 63 A F I 45S+ 0 0 2 -26,-0.2 -1,-0.2 -27,-0.2 8,-0.2 0.797 123.9 36.6 -77.2 -30.3 20.3 0.3 8.5 61 64 A K I 45S+ 0 0 152 -27,-0.1 -2,-0.2 6,-0.1 -1,-0.1 0.929 133.8 9.0 -87.8 -52.6 20.4 -0.2 12.2 62 65 A D I <5S+ 0 0 84 -4,-2.0 -3,-0.2 2,-0.1 -2,-0.1 0.886 128.2 36.0 -98.6 -47.6 18.8 2.9 13.7 63 66 A V I < + 0 0 13 -5,-3.5 3,-2.3 -6,-0.2 4,-0.3 -0.522 61.1 163.0-126.4 65.2 15.7 2.9 8.4 65 68 A P G > S+ 0 0 47 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.782 73.4 66.9 -54.6 -30.1 15.1 -0.6 9.9 66 69 A C G 3 S+ 0 0 34 1,-0.3 26,-0.1 -3,-0.1 -6,-0.1 0.736 96.3 56.8 -66.5 -16.9 12.7 -1.5 7.1 67 70 A T G < S+ 0 0 0 -3,-2.3 6,-2.0 -8,-0.2 2,-1.9 0.476 76.9 102.7 -89.3 -3.7 15.7 -1.4 4.7 68 71 A D < + 0 0 94 -3,-1.8 -1,-0.1 -4,-0.3 3,-0.1 -0.605 61.0 106.2 -80.4 82.6 17.6 -3.9 6.8 69 72 A S S > >S- 0 0 22 -2,-1.9 5,-2.8 1,-0.1 3,-1.1 -0.959 85.4-101.3-153.4 163.9 16.9 -6.8 4.4 70 73 A P T 3 >S+ 0 0 103 0, 0.0 5,-0.8 0, 0.0 6,-0.1 0.900 118.2 54.0 -60.0 -39.0 18.8 -8.8 1.8 71 74 A E T 3 5S+ 0 0 96 3,-0.2 -3,-0.1 4,-0.1 -4,-0.0 0.545 126.2 15.6 -76.4 -6.6 17.3 -6.8 -1.1 72 75 A F T <>5S+ 0 0 0 -3,-1.1 4,-2.5 -5,-0.2 5,-0.2 0.498 137.7 27.3-124.8 -77.5 18.3 -3.4 0.2 73 76 A Y H >5S+ 0 0 71 -6,-2.0 4,-2.5 -4,-0.3 5,-0.2 0.900 124.2 53.1 -55.7 -41.7 21.0 -3.6 3.0 74 77 A G H > - 0 0 6 5,-2.2 3,-0.7 1,-0.1 5,-0.2 -0.374 23.5-108.8 -81.4 167.3 30.5 8.0 -4.8 110 113 A L T 3 S+ 0 0 97 -101,-0.4 -1,-0.1 1,-0.2 -100,-0.1 0.796 113.8 68.9 -69.8 -28.7 33.7 9.1 -6.6 111 114 A S T 3 S- 0 0 72 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.853 97.0-140.7 -57.5 -32.2 35.7 9.2 -3.5 112 115 A G S < S+ 0 0 48 -3,-0.7 -1,-0.1 2,-0.4 -2,-0.1 0.469 88.8 72.2 84.5 1.6 35.3 5.4 -3.5 113 116 A D S S+ 0 0 105 1,-0.0 -81,-0.6 -82,-0.0 2,-0.3 0.201 91.8 56.3-129.8 9.8 34.9 5.3 0.2 114 117 A S E -A 31 0A 5 -83,-0.2 -5,-2.2 -5,-0.2 -2,-0.4 -0.951 68.2-151.7-138.9 157.1 31.4 6.8 0.5 115 118 A Y E -AD 30 108A 23 -85,-3.4 -85,-3.4 -2,-0.3 2,-0.3 -0.974 7.3-131.9-137.2 148.6 28.1 5.7 -1.2 116 119 A W E -AD 29 107A 6 -9,-3.1 -9,-2.2 -2,-0.3 2,-0.5 -0.776 10.3-170.5-105.1 144.0 24.9 7.3 -2.3 117 120 A V E -AD 28 106A 0 -89,-2.6 -89,-2.5 -2,-0.3 2,-0.4 -0.976 16.4-168.3-128.1 111.8 21.3 6.3 -1.7 118 121 A F E -AD 27 105A 2 -13,-2.6 -13,-2.2 -2,-0.5 2,-0.4 -0.826 3.9-169.8-105.3 144.5 18.9 8.3 -3.8 119 122 A V E +AD 26 104A 0 -93,-2.1 -93,-2.8 -2,-0.4 2,-0.3 -0.990 13.1 168.3-139.5 139.4 15.2 8.3 -3.3 120 123 A K E - D 0 103A 87 -17,-1.8 -17,-2.6 -2,-0.4 2,-0.1 -0.991 36.8-105.4-146.1 150.0 12.0 9.6 -5.1 121 124 A R E D 0 102A 145 -2,-0.3 -19,-0.3 -19,-0.2 -21,-0.0 -0.419 360.0 360.0 -73.0 148.4 8.3 9.0 -4.6 122 125 A V 0 0 104 -21,-1.7 -21,-0.2 -2,-0.1 -1,-0.0 -0.886 360.0 360.0-127.6 360.0 6.4 6.7 -7.0