==== 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 1XFQ . 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) . 8416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 59.0 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 . 28 28.0 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 . 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 . 20 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 0 0 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 0 1 2 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 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 26 A L 0 0 111 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 112.2 6.4 -1.1 -12.4 2 27 A A + 0 0 81 1,-0.2 2,-0.3 2,-0.1 0, 0.0 0.324 360.0 33.5 -90.2 3.4 6.2 -4.9 -12.7 3 28 A F S S+ 0 0 147 94,-0.1 -1,-0.2 17,-0.0 16,-0.1 -0.958 108.9 37.9-155.2 139.6 6.9 -4.8 -9.0 4 29 A G S S+ 0 0 0 -2,-0.3 93,-2.6 1,-0.2 2,-0.9 0.192 79.3 117.3 105.4 -15.7 5.8 -2.4 -6.3 5 30 A A E +AB 18 96A 3 13,-0.7 13,-3.6 91,-0.3 2,-0.4 -0.757 34.5 163.2 -95.0 102.9 2.4 -1.7 -7.6 6 31 A I E -AB 17 95A 20 89,-2.9 89,-3.6 -2,-0.9 2,-0.5 -0.925 23.4-152.7-119.7 140.4 -0.3 -2.9 -5.2 7 32 A Q E +AB 16 94A 16 9,-3.3 8,-2.0 -2,-0.4 9,-1.9 -0.965 18.4 176.6-113.4 128.7 -4.0 -1.8 -5.3 8 33 A L E -AB 14 93A 7 85,-2.2 85,-2.9 -2,-0.5 79,-0.2 -0.919 30.0-107.4-130.0 158.0 -6.0 -1.8 -2.1 9 34 A D E > - B 0 92A 34 4,-2.8 3,-1.0 -2,-0.3 2,-0.6 -0.537 28.8-117.8 -85.1 150.9 -9.6 -0.8 -1.2 10 35 A G T 3 S+ 0 0 11 81,-2.0 82,-0.2 1,-0.2 -1,-0.1 0.007 108.5 61.7 -80.4 32.3 -10.3 2.3 0.8 11 36 A D T 3 S- 0 0 136 -2,-0.6 -1,-0.2 2,-0.2 81,-0.1 0.550 123.6 -84.2-126.2 -30.3 -11.8 0.2 3.6 12 37 A G S < S+ 0 0 34 -3,-1.0 25,-0.6 1,-0.3 2,-0.4 0.487 88.0 108.4 139.2 10.4 -8.8 -1.8 4.6 13 38 A N B -E 36 0B 48 -4,-0.2 -4,-2.8 23,-0.2 -1,-0.3 -0.925 61.7-124.3-118.9 139.4 -8.5 -4.9 2.4 14 39 A I E +A 8 0A 34 21,-1.0 20,-0.4 -2,-0.4 21,-0.4 -0.552 25.7 179.0 -75.5 139.2 -5.9 -5.7 -0.3 15 40 A L E - 0 0 108 -8,-2.0 2,-0.3 1,-0.3 -7,-0.2 0.805 57.9 -8.7-107.0 -53.2 -7.4 -6.5 -3.7 16 41 A Q E -A 7 0A 93 -9,-1.9 -9,-3.3 17,-0.1 2,-0.5 -0.999 47.2-149.0-153.8 145.1 -4.5 -7.1 -6.1 17 42 A Y E > -A 6 0A 45 -2,-0.3 2,-1.2 -11,-0.2 3,-1.0 -0.974 21.0-136.4-117.8 124.3 -0.7 -6.9 -6.4 18 43 A N E 3 S+A 5 0A 62 -13,-3.6 -13,-0.7 -2,-0.5 -14,-0.1 -0.676 87.7 59.1 -85.5 96.7 0.8 -6.2 -9.8 19 44 A A T 3 + 0 0 34 -2,-1.2 2,-1.5 -16,-0.1 -1,-0.2 0.068 69.8 100.7 176.2 -32.5 3.8 -8.6 -10.1 20 45 A A < + 0 0 75 -3,-1.0 3,-0.1 1,-0.2 -3,-0.1 -0.604 40.8 114.0 -78.9 90.3 2.2 -12.0 -9.7 21 46 A E S S+ 0 0 170 -2,-1.5 -1,-0.2 1,-0.2 2,-0.1 -0.148 75.0 41.0-147.5 40.5 2.1 -13.1 -13.3 22 47 A G - 0 0 46 3,-0.0 2,-1.7 0, 0.0 -1,-0.2 -0.327 69.9-146.1 169.0 94.3 4.5 -16.0 -13.2 23 48 A D + 0 0 162 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.562 43.4 144.0 -78.8 87.1 4.7 -18.5 -10.3 24 49 A I + 0 0 154 -2,-1.7 2,-0.3 2,-0.0 -1,-0.2 -0.016 51.6 71.0-113.8 23.8 8.4 -19.1 -10.3 25 50 A T - 0 0 97 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.940 66.6-142.5-136.5 157.2 8.8 -19.4 -6.5 26 51 A G + 0 0 82 -2,-0.3 2,-0.1 2,-0.1 -3,-0.0 -0.280 55.8 134.8-112.6 46.0 7.8 -22.0 -3.9 27 52 A R - 0 0 213 1,-0.1 -2,-0.1 2,-0.0 4,-0.0 -0.262 68.8 -92.9 -84.0 173.2 6.9 -19.5 -1.2 28 53 A D - 0 0 102 1,-0.1 3,-0.3 -2,-0.1 -1,-0.1 -0.841 33.7-150.4 -87.5 111.2 3.9 -19.4 1.1 29 54 A P S S+ 0 0 113 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.196 77.3 93.5 -74.6 19.9 1.5 -17.2 -0.8 30 55 A K + 0 0 176 1,-0.2 3,-0.1 5,-0.0 -2,-0.0 -0.058 64.1 86.2 -99.0 32.2 -0.1 -15.9 2.5 31 56 A Q S S+ 0 0 157 -3,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.867 93.5 16.7 -96.4 -48.5 2.2 -13.0 2.5 32 57 A V S S+ 0 0 75 -3,-0.2 -1,-0.2 -15,-0.0 -15,-0.1 -0.744 101.1 17.6-124.6 170.8 0.4 -10.4 0.3 33 58 A I S S+ 0 0 65 -2,-0.2 3,-0.1 -17,-0.1 -18,-0.1 0.439 88.2 68.2 50.7 166.7 -3.1 -9.8 -1.1 34 59 A G S S+ 0 0 65 -20,-0.4 2,-0.8 1,-0.2 -19,-0.1 0.884 70.8 160.8 59.5 40.0 -6.4 -11.3 0.1 35 60 A K - 0 0 103 -21,-0.4 -21,-1.0 2,-0.0 2,-0.8 -0.824 24.2-178.4-105.3 102.0 -5.9 -9.3 3.3 36 61 A N B -E 13 0B 117 -2,-0.8 2,-1.2 -23,-0.2 -23,-0.2 -0.893 19.4-150.7 -94.5 109.2 -9.0 -8.7 5.4 37 62 A F - 0 0 120 -2,-0.8 2,-0.1 -25,-0.6 -2,-0.0 -0.701 15.2-168.5 -90.3 96.5 -7.8 -6.6 8.3 38 63 A F - 0 0 138 -2,-1.2 2,-2.4 1,-0.1 3,-0.1 -0.453 38.4 -96.5 -78.0 155.4 -10.0 -7.4 11.2 39 64 A K + 0 0 191 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.449 63.4 149.0 -75.8 74.4 -9.9 -5.2 14.4 40 65 A D - 0 0 110 -2,-2.4 -1,-0.2 2,-0.1 -2,-0.0 0.364 68.4-110.5 -86.0 5.3 -7.5 -7.5 16.3 41 66 A V S S+ 0 0 122 1,-0.2 -2,-0.1 -3,-0.1 3,-0.1 0.997 70.5 141.7 59.2 67.9 -6.2 -4.3 18.0 42 67 A A + 0 0 39 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 -0.716 12.5 157.5-139.6 84.1 -2.8 -4.2 16.3 43 68 A P + 0 0 83 0, 0.0 2,-0.7 0, 0.0 4,-0.2 0.375 59.5 84.2 -87.5 3.4 -1.7 -0.6 15.4 44 69 A C + 0 0 112 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.794 38.7 125.1-113.1 86.4 2.0 -1.6 15.4 45 70 A T S S- 0 0 93 -2,-0.7 -1,-0.1 2,-0.1 -3,-0.0 -0.436 99.4 -74.2-130.2 56.8 2.9 -3.1 12.0 46 71 A D S S+ 0 0 173 1,-0.1 -2,-0.1 4,-0.0 3,-0.1 0.576 123.3 81.6 64.9 11.8 5.9 -0.8 11.3 47 72 A S + 0 0 32 -4,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.641 41.0 164.9-149.4 83.8 3.4 2.0 10.5 48 73 A P S S+ 0 0 113 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.963 90.2 39.5 -59.2 -53.8 1.9 3.9 13.5 49 74 A E S S- 0 0 147 2,-0.1 2,-0.3 -3,-0.1 5,-0.0 -0.909 109.2-115.7 -93.2 120.4 0.7 6.5 10.9 50 75 A F > - 0 0 88 -2,-0.6 4,-2.5 -3,-0.1 5,-0.3 -0.418 56.6 -63.1 -66.0 117.4 -0.5 4.5 7.9 51 76 A Y T 4 S- 0 0 132 -2,-0.3 2,-0.5 1,-0.2 -2,-0.1 -0.149 115.9 -11.8 50.4-113.6 1.7 5.2 4.8 52 77 A G T 4 S- 0 0 28 13,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.663 125.6 -51.7-121.8 76.0 1.3 8.9 3.9 53 78 A K T >> S+ 0 0 123 -2,-0.5 4,-3.0 -3,-0.2 3,-1.6 0.788 82.8 163.3 60.9 32.4 -1.6 10.1 6.0 54 79 A F H 3X + 0 0 29 -4,-2.5 4,-1.8 1,-0.3 5,-0.1 0.791 69.0 59.2 -50.2 -32.2 -3.5 7.2 4.6 55 80 A K H 3> S+ 0 0 164 -5,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.848 113.9 35.8 -69.8 -34.1 -6.1 7.7 7.4 56 81 A E H <> S+ 0 0 114 -3,-1.6 4,-3.4 2,-0.2 5,-0.4 0.797 108.6 67.9 -84.2 -31.4 -6.8 11.2 6.2 57 82 A G H X>S+ 0 0 8 -4,-3.0 5,-1.2 1,-0.2 4,-0.9 0.869 100.8 48.5 -54.4 -41.2 -6.3 10.1 2.6 58 83 A V H <5S+ 0 0 42 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.962 120.0 32.9 -65.2 -53.5 -9.5 8.0 2.8 59 84 A A H <5S+ 0 0 91 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.778 112.0 60.2 -84.4 -27.8 -11.8 10.6 4.3 60 85 A S H <5S- 0 0 61 -4,-3.4 -1,-0.2 -5,-0.1 -3,-0.2 0.807 102.9-136.2 -66.6 -27.2 -10.3 13.6 2.7 61 86 A G T <5S+ 0 0 37 -4,-0.9 -3,-0.2 -5,-0.4 -2,-0.1 0.803 81.0 83.6 78.9 29.4 -11.2 11.9 -0.5 62 87 A N < + 0 0 82 -5,-1.2 2,-2.1 -6,-0.2 -4,-0.1 -0.126 44.5 162.8-157.2 48.6 -8.0 12.6 -2.4 63 88 A L + 0 0 5 -6,-0.7 2,-0.3 -5,-0.1 31,-0.2 -0.501 32.5 121.8 -74.8 79.7 -5.4 10.0 -1.4 64 89 A N + 0 0 91 -2,-2.1 2,-0.3 21,-0.3 21,-0.2 -0.833 28.8 133.3-144.1 101.1 -3.0 10.5 -4.2 65 90 A T E -C 84 0A 66 19,-1.0 19,-3.1 -2,-0.3 2,-0.6 -0.996 43.4-142.6-147.4 147.8 0.6 11.4 -3.3 66 91 A M E +C 83 0A 110 -2,-0.3 2,-0.4 17,-0.3 17,-0.3 -0.974 32.1 168.9-109.3 115.5 4.2 10.5 -4.2 67 92 A F E -C 82 0A 112 15,-2.6 15,-3.4 -2,-0.6 2,-0.5 -0.992 23.8-150.3-132.2 127.0 6.4 10.6 -1.1 68 93 A E E -C 81 0A 86 -2,-0.4 2,-0.5 13,-0.3 13,-0.3 -0.842 11.7-164.0 -97.2 130.6 9.9 9.3 -0.7 69 94 A Y E -C 80 0A 108 11,-3.0 11,-1.4 -2,-0.5 2,-0.4 -0.958 3.8-156.8-119.0 115.4 10.9 8.1 2.7 70 95 A T - 0 0 69 -2,-0.5 2,-0.8 9,-0.2 8,-0.1 -0.718 7.2-147.6 -90.9 136.9 14.6 7.7 3.5 71 96 A F + 0 0 58 -2,-0.4 8,-0.1 6,-0.2 5,-0.1 -0.848 23.5 169.1-105.3 95.1 15.7 5.3 6.3 72 97 A D + 0 0 132 -2,-0.8 -1,-0.1 6,-0.1 2,-0.1 0.008 50.5 97.0 -94.2 28.0 18.9 6.8 7.7 73 98 A Y S S- 0 0 161 4,-0.2 -2,-0.1 1,-0.1 3,-0.0 -0.216 80.2-113.7-100.3-166.5 18.7 4.4 10.7 74 99 A Q S S+ 0 0 157 1,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.895 106.4 32.3 -97.1 -58.3 20.4 1.1 11.3 75 100 A M S S+ 0 0 164 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.050 97.6 113.5 -95.7 33.4 17.8 -1.6 11.3 76 101 A T - 0 0 50 1,-0.2 -5,-0.1 -5,-0.1 0, 0.0 -0.538 67.0-106.0-101.4 164.8 15.5 0.1 8.8 77 102 A P - 0 0 83 0, 0.0 -4,-0.2 0, 0.0 -1,-0.2 -0.022 50.5 -73.6 -71.8-172.8 14.4 -0.8 5.2 78 103 A T - 0 0 68 1,-0.1 2,-0.6 -8,-0.1 -9,-0.1 -0.416 58.1 -81.7 -84.7 161.4 15.7 0.8 2.0 79 104 A K + 0 0 57 -8,-0.1 21,-2.2 -2,-0.1 2,-0.3 -0.516 59.9 178.4 -64.6 112.0 14.7 4.3 0.8 80 105 A V E -CD 69 99A 34 -11,-1.4 -11,-3.0 -2,-0.6 2,-0.4 -0.760 24.3-142.4-116.3 160.9 11.4 3.8 -1.0 81 106 A K E -CD 68 98A 73 17,-1.1 17,-1.3 -13,-0.3 2,-0.6 -0.992 14.5-152.2-125.0 124.0 9.0 6.2 -2.7 82 107 A V E -CD 67 97A 25 -15,-3.4 -15,-2.6 -2,-0.4 2,-0.7 -0.855 10.5-173.2-101.7 119.4 5.3 5.7 -2.4 83 108 A H E -CD 66 96A 76 13,-3.1 13,-2.6 -2,-0.6 2,-0.3 -0.913 14.8-177.9-106.8 104.3 3.0 6.8 -5.1 84 109 A M E -CD 65 95A 3 -19,-3.1 -19,-1.0 -2,-0.7 2,-0.4 -0.756 1.0-175.2 -97.5 145.6 -0.5 6.3 -3.8 85 110 A K E - D 0 94A 84 9,-1.1 9,-3.5 -2,-0.3 2,-0.5 -0.968 32.8-116.4-146.4 127.1 -3.5 7.1 -5.9 86 111 A K E - D 0 93A 68 -2,-0.4 7,-0.3 7,-0.3 5,-0.1 -0.509 50.4-110.3 -57.3 113.6 -7.2 7.0 -5.2 87 112 A A > - 0 0 2 5,-2.4 3,-1.3 -2,-0.5 5,-0.3 -0.182 13.0-128.7 -54.4 138.9 -8.3 4.3 -7.6 88 113 A L T 3 S+ 0 0 179 1,-0.3 -1,-0.2 3,-0.1 3,-0.1 0.586 105.6 72.2 -67.9 -8.6 -10.4 5.6 -10.5 89 114 A S T 3 S- 0 0 108 1,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.870 110.1-114.6 -70.9 -38.6 -12.9 2.9 -9.5 90 115 A G S < S+ 0 0 19 -3,-1.3 2,-1.8 2,-0.2 -1,-0.1 -0.838 88.0 38.2 146.7-105.8 -13.9 4.9 -6.4 91 116 A D S S+ 0 0 127 -2,-0.3 -81,-2.0 -5,-0.1 2,-0.3 -0.445 98.4 82.8 -88.3 65.0 -13.4 3.9 -2.8 92 117 A S E -B 9 0A 13 -2,-1.8 -5,-2.4 -83,-0.3 2,-0.4 -0.966 58.6-150.6-157.7 158.0 -10.0 2.3 -3.2 93 118 A Y E -BD 8 86A 3 -85,-2.9 -85,-2.2 -7,-0.3 -7,-0.3 -0.999 10.4-136.1-140.7 139.8 -6.4 3.5 -3.3 94 119 A W E -BD 7 85A 60 -9,-3.5 -9,-1.1 -2,-0.4 2,-0.4 -0.536 5.6-152.7 -93.1 162.5 -3.2 2.2 -4.9 95 120 A V E -BD 6 84A 8 -89,-3.6 -89,-2.9 -11,-0.2 2,-0.7 -0.901 11.2-178.7-136.9 101.8 0.3 1.9 -3.6 96 121 A F E -BD 5 83A 44 -13,-2.6 -13,-3.1 -2,-0.4 2,-0.3 -0.894 11.6-166.5-102.2 106.4 3.2 2.1 -6.0 97 122 A V E + D 0 82A 43 -93,-2.6 2,-0.3 -2,-0.7 -15,-0.2 -0.693 9.2 177.2 -92.4 143.9 6.4 1.6 -4.1 98 123 A K E - D 0 81A 123 -17,-1.3 -17,-1.1 -2,-0.3 2,-0.2 -0.857 18.8-144.1-149.8 110.3 9.7 2.5 -5.8 99 124 A R E D 0 80A 161 -2,-0.3 -19,-0.3 -19,-0.3 -20,-0.0 -0.509 360.0 360.0 -77.1 143.7 13.1 2.3 -4.1 100 125 A V 0 0 118 -21,-2.2 -1,-0.2 -2,-0.2 -20,-0.1 0.833 360.0 360.0-101.6 360.0 15.7 4.8 -5.1