==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 15-SEP-04 1XFN . COMPND 2 MOLECULE: PHOTOACTIVE YELLOW PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALORHODOSPIRA HALOPHILA; . AUTHOR C.BERNARD,K.HOUBEN,N.M.DERIX,D.MARKS,M.A.VAN DER HORST, . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 27.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 1.0 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 . 13 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 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 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 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 26 A L 0 0 124 0, 0.0 23,-0.2 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 179.6 -10.9 -5.7 10.0 2 27 A A + 0 0 71 1,-0.1 2,-0.4 21,-0.1 97,-0.2 0.595 360.0 74.9-127.5 -32.3 -10.3 -2.0 9.8 3 28 A F S S- 0 0 120 95,-0.1 2,-0.3 2,-0.0 95,-0.2 -0.731 72.3-142.4 -88.9 138.1 -6.6 -1.6 9.9 4 29 A G E -A 97 0A 4 93,-2.5 93,-2.3 -2,-0.4 2,-0.3 -0.720 18.5-176.9-104.7 150.9 -4.6 -2.5 6.8 5 30 A A E +A 96 0A 18 -2,-0.3 2,-0.3 91,-0.3 91,-0.2 -0.859 14.2 170.9-147.4 104.9 -1.3 -4.2 6.4 6 31 A I E -A 95 0A 2 89,-3.3 89,-2.4 -2,-0.3 2,-0.5 -0.772 25.2-142.5-116.7 156.5 0.1 -4.6 2.9 7 32 A Q E +A 94 0A 6 9,-1.2 8,-2.4 -2,-0.3 2,-0.3 -0.960 23.4 177.6-121.8 111.7 3.5 -5.7 1.6 8 33 A L E -AB 93 14A 0 85,-1.4 85,-3.6 -2,-0.5 6,-0.2 -0.876 17.1-140.2-112.3 149.0 4.8 -4.0 -1.5 9 34 A D - 0 0 27 4,-1.9 3,-0.2 -2,-0.3 83,-0.2 -0.590 32.6 -99.1-104.4 168.1 8.1 -4.5 -3.2 10 35 A G S S+ 0 0 26 1,-0.2 82,-0.1 81,-0.2 -1,-0.1 0.543 122.4 53.7 -65.0 -7.1 10.5 -2.0 -4.8 11 36 A D S S- 0 0 109 2,-0.1 -1,-0.2 0, 0.0 81,-0.1 0.860 121.7-100.7 -89.1 -45.6 9.1 -2.8 -8.2 12 37 A G S S+ 0 0 0 1,-0.3 25,-1.9 -3,-0.2 26,-0.4 0.431 73.8 135.8 134.4 12.6 5.5 -2.2 -7.4 13 38 A N B -F 36 0B 51 23,-0.2 -4,-1.9 24,-0.1 2,-0.3 -0.579 49.2-127.0 -89.6 149.9 4.1 -5.7 -6.8 14 39 A I B +Bc 8 33A 1 21,-2.1 20,-1.1 18,-0.6 21,-0.4 -0.703 24.7 176.5 -94.1 145.4 1.9 -6.7 -4.0 15 40 A L + 0 0 55 -8,-2.4 2,-0.4 1,-0.3 17,-0.2 0.718 64.2 0.6-106.5 -68.4 2.7 -9.6 -1.7 16 41 A Q - 0 0 100 -9,-0.3 -9,-1.2 15,-0.1 -1,-0.3 -0.989 57.3-162.4-133.9 133.3 0.1 -9.9 1.0 17 42 A Y - 0 0 18 12,-0.6 2,-0.3 -2,-0.4 -11,-0.1 -0.385 23.1-115.8 -94.6-176.2 -3.0 -7.9 1.9 18 43 A N >> - 0 0 48 9,-0.1 4,-1.1 -2,-0.1 3,-0.6 -0.781 29.3-102.9-118.5 165.8 -4.9 -7.8 5.2 19 44 A A T 34 S+ 0 0 45 -2,-0.3 -15,-0.1 1,-0.2 9,-0.1 0.188 113.9 71.2 -76.9 19.1 -8.4 -8.9 6.0 20 45 A A T >>>S+ 0 0 4 3,-0.1 4,-1.4 2,-0.1 3,-0.8 0.832 98.6 41.3 -93.3 -49.1 -9.4 -5.2 5.9 21 46 A E I <4>S+ 0 0 34 -3,-0.6 5,-2.4 1,-0.3 6,-1.3 0.802 119.7 46.8 -69.7 -29.1 -9.2 -4.7 2.2 22 47 A G I 3<5S+ 0 0 22 -4,-1.1 -1,-0.3 4,-0.3 6,-0.2 0.539 105.9 63.2 -88.3 -5.8 -10.8 -8.0 1.6 23 48 A D I <45S+ 0 0 107 -3,-0.8 -2,-0.2 -5,-0.2 -3,-0.1 0.968 124.4 3.4 -83.1 -60.2 -13.5 -7.3 4.1 24 49 A I I <5S+ 0 0 128 -4,-1.4 -3,-0.1 -23,-0.2 -2,-0.1 0.882 140.3 38.8 -94.5 -46.3 -15.4 -4.4 2.7 25 50 A T I - 0 0 83 -2,-0.6 3,-2.2 -6,-0.2 4,-0.4 -0.257 26.1-110.1 -64.1 152.9 -8.2 -11.1 -0.5 29 54 A P T 3 S+ 0 0 49 0, 0.0 -12,-0.6 0, 0.0 3,-0.2 0.674 119.2 45.9 -58.0 -18.7 -4.6 -11.2 0.7 30 55 A K T 3 S+ 0 0 165 -14,-0.1 3,-0.5 1,-0.1 -2,-0.1 0.344 94.0 76.9-107.7 4.7 -3.7 -13.7 -2.0 31 56 A Q S < S+ 0 0 111 -3,-2.2 -1,-0.1 1,-0.2 -15,-0.1 0.579 88.5 58.8 -90.5 -9.3 -5.4 -11.9 -4.9 32 57 A V > + 0 0 1 -4,-0.4 3,-1.0 -17,-0.2 -18,-0.6 0.021 69.7 129.6-111.9 25.7 -2.7 -9.3 -5.3 33 58 A I B 3 S+c 14 0A 104 -3,-0.5 -18,-0.2 1,-0.3 3,-0.1 -0.704 83.3 5.4 -89.8 126.5 0.3 -11.4 -6.0 34 59 A G T 3 S+ 0 0 52 -20,-1.1 2,-0.4 -2,-0.5 -1,-0.3 0.574 107.3 126.9 80.3 8.2 2.3 -10.4 -9.0 35 60 A K < - 0 0 76 -3,-1.0 -21,-2.1 -21,-0.4 2,-0.7 -0.808 66.5-121.6-106.7 138.8 0.0 -7.5 -9.2 36 61 A N B >>> -F 13 0B 44 -2,-0.4 4,-2.4 -23,-0.2 5,-1.2 -0.700 18.4-158.9 -80.0 114.3 1.0 -3.8 -9.4 37 62 A F T 345S+ 0 0 8 -25,-1.9 4,-0.4 -2,-0.7 8,-0.2 0.902 88.3 52.7 -56.1 -43.3 -0.6 -2.1 -6.4 38 63 A F T 345S+ 0 0 1 -26,-0.4 8,-1.1 1,-0.1 -1,-0.2 0.517 128.6 12.4 -80.8 -6.3 -0.4 1.4 -8.0 39 64 A K T <45S+ 0 0 128 -3,-1.1 -2,-0.2 -27,-0.2 -1,-0.1 0.610 128.0 40.9-134.7 -45.6 -2.1 0.4 -11.2 40 65 A D T <5S+ 0 0 96 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.1 0.755 130.5 21.3 -91.4 -23.6 -3.8 -2.9 -11.2 41 66 A V S + 0 0 11 -6,-0.3 3,-1.6 31,-0.0 4,-0.4 -0.130 58.9 178.6 173.3 74.8 -5.4 0.9 -7.1 43 68 A P T 3 S+ 0 0 48 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 0.277 78.0 69.5 -76.9 13.6 -4.8 3.2 -10.1 44 69 A C T 3 S+ 0 0 25 28,-0.2 6,-0.1 1,-0.1 -6,-0.1 0.697 90.3 64.3 -97.1 -5.7 -5.2 6.3 -8.0 45 70 A T < + 0 0 0 -3,-1.6 2,-2.4 -8,-0.2 6,-2.1 0.721 68.3 91.1-100.5 -28.9 -2.0 5.7 -6.1 46 71 A D + 0 0 47 -8,-1.1 -1,-0.1 -4,-0.4 -4,-0.0 -0.425 69.5 101.0 -75.3 78.5 0.8 5.9 -8.6 47 72 A S S > >S- 0 0 44 -2,-2.4 5,-3.3 0, 0.0 3,-0.6 -0.932 89.9 -87.1-152.7 169.4 1.4 9.6 -8.1 48 73 A P T 3 5S+ 0 0 101 0, 0.0 5,-0.2 0, 0.0 -2,-0.1 0.629 120.7 53.1 -62.0 -14.6 4.0 11.9 -6.2 49 74 A E T 3 5S+ 0 0 71 3,-0.2 -3,-0.1 -4,-0.1 -4,-0.1 0.822 128.8 8.8 -93.4 -34.3 1.9 11.9 -3.0 50 75 A F T <>5S+ 0 0 4 -3,-0.6 4,-2.2 -5,-0.4 5,-0.2 0.777 140.5 29.7-106.3 -69.4 1.6 8.1 -2.5 51 76 A Y H >5S+ 0 0 64 -6,-2.1 4,-2.3 -4,-0.4 5,-0.2 0.891 120.2 56.5 -60.6 -41.1 3.7 6.2 -5.0 52 77 A G H > S+ 0 0 75 -6,-0.3 4,-0.9 1,-0.2 3,-0.3 0.869 112.0 54.5 -67.5 -37.1 6.8 9.0 -1.3 54 79 A F H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 3,-0.3 0.895 110.5 47.1 -57.8 -40.7 7.0 5.2 -1.4 55 80 A K H X S+ 0 0 62 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.689 96.1 73.8 -78.3 -18.6 9.7 5.4 -4.1 56 81 A E H X S+ 0 0 115 -4,-1.1 4,-1.1 -3,-0.3 -1,-0.2 0.901 100.5 42.8 -66.1 -39.8 11.7 8.1 -2.2 57 82 A G H X S+ 0 0 8 -4,-0.9 4,-2.0 -3,-0.3 -1,-0.2 0.912 115.4 50.0 -69.7 -42.1 12.9 5.5 0.3 58 83 A V H < S+ 0 0 38 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.949 109.6 50.3 -57.3 -51.6 13.6 3.0 -2.5 59 84 A A H < S+ 0 0 90 -4,-3.4 -1,-0.2 1,-0.1 -2,-0.2 0.764 119.1 40.4 -61.1 -26.8 15.5 5.6 -4.5 60 85 A S H < S- 0 0 105 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.930 118.4 -94.7 -83.9 -77.9 17.6 6.3 -1.5 61 86 A G S < S+ 0 0 51 -4,-2.0 2,-0.3 1,-0.6 -4,-0.1 0.055 93.5 32.3-166.9 -68.5 18.3 3.1 0.3 62 87 A N S S- 0 0 97 2,-0.1 -1,-0.6 24,-0.0 2,-0.5 -0.789 70.2-136.8-107.3 153.4 16.0 2.1 3.1 63 88 A L + 0 0 2 -2,-0.3 23,-1.4 -3,-0.1 2,-0.1 -0.942 39.4 138.7-118.2 126.4 12.3 2.9 3.2 64 89 A N E +D 85 0A 105 -2,-0.5 2,-0.3 21,-0.3 21,-0.2 -0.557 23.3 138.9-166.2 94.1 10.4 4.1 6.3 65 90 A T E -D 84 0A 52 19,-1.9 19,-2.5 -2,-0.1 2,-0.4 -0.933 32.4-157.4-139.5 153.7 7.9 6.8 5.9 66 91 A M E +D 83 0A 122 -2,-0.3 2,-0.3 17,-0.3 17,-0.3 -0.886 25.4 158.0-137.5 108.9 4.4 7.7 7.2 67 92 A F E -D 82 0A 26 15,-1.8 15,-3.5 -2,-0.4 2,-0.4 -0.819 39.8-110.8-123.8 167.3 2.2 10.1 5.3 68 93 A E E +D 81 0A 89 -2,-0.3 2,-0.3 13,-0.3 13,-0.3 -0.855 41.0 169.2-102.7 132.8 -1.5 10.8 5.1 69 94 A Y E -D 80 0A 20 11,-2.9 11,-2.9 -2,-0.4 2,-0.4 -0.978 27.3-129.4-144.2 150.8 -3.4 9.8 1.9 70 95 A T E -D 79 0A 47 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.808 13.8-143.3-104.8 141.4 -7.0 9.5 0.7 71 96 A F E +D 78 0A 23 7,-2.7 7,-1.9 -2,-0.4 2,-0.2 -0.938 43.2 128.0-104.6 120.8 -8.4 6.4 -1.0 72 97 A D > + 0 0 77 -2,-0.6 3,-1.1 5,-0.2 2,-0.5 -0.568 28.7 83.2-143.7-156.9 -10.9 7.2 -3.8 73 98 A Y T 3 S+ 0 0 154 1,-0.3 3,-0.1 -2,-0.2 -31,-0.0 0.093 129.7 0.5 73.5 -24.8 -11.6 6.4 -7.5 74 99 A Q T 3 S+ 0 0 99 1,-0.5 -1,-0.3 -2,-0.5 2,-0.3 0.285 125.1 73.7-158.7 -38.0 -13.3 3.2 -6.3 75 100 A M S < S- 0 0 43 -3,-1.1 -1,-0.5 1,-0.1 3,-0.1 -0.636 91.5-108.1 -78.7 143.7 -13.0 3.3 -2.5 76 101 A T - 0 0 97 -2,-0.3 2,-0.8 1,-0.2 -5,-0.2 -0.443 63.4 -64.9 -67.5 151.4 -15.3 5.8 -0.8 77 102 A P S S+ 0 0 111 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.146 71.7 173.7 -48.6 87.5 -13.3 8.8 0.6 78 103 A T E -D 71 0A 9 -7,-1.9 -7,-2.7 -2,-0.8 2,-0.7 -0.867 22.0-151.5-100.8 129.9 -11.2 7.1 3.1 79 104 A K E +D 70 0A 93 -2,-0.5 21,-1.8 -9,-0.2 2,-0.3 -0.905 28.9 162.3-103.3 114.8 -8.4 9.0 4.9 80 105 A V E -DE 69 99A 2 -11,-2.9 -11,-2.9 -2,-0.7 2,-0.5 -0.805 37.2-125.6-127.0 165.9 -5.6 6.8 6.0 81 106 A K E -DE 68 98A 91 17,-2.0 17,-2.8 -2,-0.3 2,-0.8 -0.981 22.2-147.7-115.2 128.1 -2.0 7.1 7.1 82 107 A V E -DE 67 97A 0 -15,-3.5 -15,-1.8 -2,-0.5 2,-0.8 -0.833 14.9-176.8-104.5 104.2 0.5 5.1 5.1 83 108 A H E -DE 66 96A 63 13,-2.3 13,-3.1 -2,-0.8 2,-0.3 -0.873 9.8-176.5-103.6 104.4 3.4 3.9 7.2 84 109 A M E +DE 65 95A 0 -19,-2.5 -19,-1.9 -2,-0.8 2,-0.3 -0.792 6.3 168.3-103.9 143.8 5.8 2.0 4.9 85 110 A K E -DE 64 94A 91 9,-1.1 9,-3.4 -2,-0.3 -21,-0.3 -0.986 37.5 -91.2-154.3 154.2 9.0 0.3 6.1 86 111 A K E - E 0 93A 105 -23,-1.4 7,-0.3 -2,-0.3 2,-0.2 -0.430 37.5-163.3 -78.6 140.5 11.6 -2.1 4.7 87 112 A A - 0 0 9 5,-2.8 5,-0.4 3,-0.2 -1,-0.0 -0.682 20.2-171.6-113.2 169.1 11.2 -5.9 5.1 88 113 A L S S+ 0 0 149 -2,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.364 74.7 82.9-139.9 -6.2 13.6 -8.8 4.8 89 114 A S S S+ 0 0 93 1,-0.3 2,-0.3 3,-0.1 -2,-0.0 0.879 117.8 4.3 -61.5 -39.5 11.2 -11.8 5.0 90 115 A G S S- 0 0 25 2,-0.1 2,-1.6 0, 0.0 -1,-0.3 -0.978 98.4 -90.9-141.0 151.0 10.7 -11.0 1.4 91 116 A D S S+ 0 0 151 -2,-0.3 2,-0.3 -3,-0.2 -81,-0.2 -0.439 97.7 70.2 -64.3 89.8 12.4 -8.5 -0.9 92 117 A S S S- 0 0 5 -2,-1.6 -5,-2.8 -5,-0.4 2,-0.3 -0.929 78.5 -93.2-177.1-170.0 9.8 -5.7 -0.2 93 118 A Y E -AE 8 86A 23 -85,-3.6 -85,-1.4 -7,-0.3 2,-0.7 -0.904 25.9-121.0-129.0 158.5 8.5 -3.3 2.4 94 119 A W E -AE 7 85A 70 -9,-3.4 -9,-1.1 -2,-0.3 2,-0.6 -0.899 28.4-168.9-102.6 109.2 5.6 -3.5 4.9 95 120 A V E -AE 6 84A 4 -89,-2.4 -89,-3.3 -2,-0.7 2,-0.4 -0.884 6.5-156.7-102.5 120.9 3.2 -0.7 4.2 96 121 A F E -AE 5 83A 58 -13,-3.1 -13,-2.3 -2,-0.6 2,-0.7 -0.820 6.9-146.9-103.6 136.5 0.6 -0.2 6.9 97 122 A V E -AE 4 82A 10 -93,-2.3 -93,-2.5 -2,-0.4 2,-0.8 -0.882 13.7-171.9-104.5 107.8 -2.8 1.5 6.4 98 123 A K E - E 0 81A 92 -17,-2.8 -17,-2.0 -2,-0.7 2,-0.5 -0.864 9.1-157.1-103.6 104.4 -3.9 3.4 9.4 99 124 A R E E 0 80A 137 -2,-0.8 -19,-0.2 -19,-0.2 -2,-0.0 -0.691 360.0 360.0 -83.5 126.9 -7.5 4.6 9.0 100 125 A V 0 0 126 -21,-1.8 -1,-0.2 -2,-0.5 -20,-0.1 0.925 360.0 360.0 -93.3 360.0 -8.4 7.6 11.2