==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHEROMONE BINDING PROTEIN 21-NOV-07 3BFB . COMPND 2 MOLECULE: PHEROMONE-BINDING PROTEIN ASP1; . SOURCE 2 ORGANISM_SCIENTIFIC: APIS MELLIFERA; . AUTHOR M.E.PESENTI,S.SPINELLI,V.BEZIRARD,L.BRIAND,J.C.PERNOLLET,M.T . 117 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 66.7 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 . 2 1.7 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 0.9 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 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.4 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 1 0 0 1 0 1 0 1 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A D 0 0 203 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.8 23.0 25.8 -2.9 2 4 A W + 0 0 76 0, 0.0 111,-0.0 0, 0.0 0, 0.0 -0.969 360.0 80.4-124.1 -13.2 23.2 23.2 -1.6 3 5 A V S S- 0 0 28 1,-0.1 5,-0.0 -2,-0.1 0, 0.0 -0.328 76.4-119.2 -60.4 127.1 22.6 19.8 -3.3 4 6 A P > - 0 0 61 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.524 17.5-123.9 -69.7 141.1 25.7 18.8 -5.3 5 7 A P T >> S+ 0 0 91 0, 0.0 3,-1.6 0, 0.0 4,-0.9 0.767 107.4 72.8 -57.6 -26.4 24.9 18.5 -9.0 6 8 A E H 3> S+ 0 0 129 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.805 84.8 67.3 -54.0 -32.1 26.2 14.9 -8.8 7 9 A V H <> S+ 0 0 41 -3,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.765 93.1 58.7 -64.0 -24.4 23.1 13.9 -6.9 8 10 A F H <> S+ 0 0 88 -3,-1.6 4,-1.1 -4,-0.4 -1,-0.2 0.926 107.9 44.8 -72.8 -42.3 20.9 14.6 -10.0 9 11 A D H < S+ 0 0 136 -4,-0.9 4,-0.4 1,-0.2 3,-0.4 0.923 112.4 53.6 -58.1 -47.9 22.9 12.0 -12.0 10 12 A L H < S+ 0 0 122 -4,-2.2 4,-0.3 1,-0.2 3,-0.3 0.861 116.3 35.9 -59.6 -40.8 22.7 9.6 -9.1 11 13 A V H X S+ 0 0 10 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.581 88.3 101.3 -89.4 -10.1 18.9 9.8 -8.8 12 14 A A H X S+ 0 0 54 -4,-1.1 4,-2.0 -3,-0.4 5,-0.2 0.823 83.6 43.6 -47.3 -47.0 18.1 10.1 -12.5 13 15 A E H > S+ 0 0 168 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.965 118.0 43.5 -68.7 -50.0 17.1 6.4 -13.0 14 16 A D H > S+ 0 0 38 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.841 111.8 55.7 -62.1 -36.3 15.0 6.1 -9.8 15 17 A K H X S+ 0 0 35 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.932 108.3 46.9 -60.6 -46.6 13.4 9.5 -10.5 16 18 A A H X S+ 0 0 55 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.925 114.7 46.7 -65.8 -43.1 12.2 8.5 -13.9 17 19 A R H X S+ 0 0 91 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.965 113.7 48.5 -59.5 -49.9 10.8 5.2 -12.6 18 20 A a H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 6,-0.3 0.895 112.8 47.3 -61.3 -43.8 9.1 7.0 -9.6 19 21 A M H X>S+ 0 0 36 -4,-2.8 4,-1.9 2,-0.2 5,-1.7 0.946 114.7 46.9 -62.2 -44.7 7.5 9.6 -11.8 20 22 A S H <5S+ 0 0 102 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.915 112.5 50.1 -64.1 -44.0 6.3 7.0 -14.3 21 23 A E H <5S+ 0 0 105 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.850 122.4 30.5 -58.6 -38.7 4.9 4.8 -11.6 22 24 A H H <5S- 0 0 64 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.488 105.5-113.9-110.1 -1.4 3.0 7.6 -9.8 23 25 A G T <5 + 0 0 51 -4,-1.9 -3,-0.2 1,-0.2 -4,-0.1 0.744 56.3 169.0 75.8 29.1 2.1 9.9 -12.7 24 26 A T < - 0 0 12 -5,-1.7 2,-0.3 -6,-0.3 -1,-0.2 -0.443 21.7-154.7 -79.0 143.2 4.3 12.6 -11.3 25 27 A T > - 0 0 69 -2,-0.1 4,-1.4 1,-0.1 3,-0.5 -0.867 25.1-123.9-110.8 154.8 5.1 15.7 -13.3 26 28 A Q H > S+ 0 0 76 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.882 113.6 63.2 -61.6 -38.1 8.2 17.9 -12.9 27 29 A A H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.863 101.3 50.7 -52.6 -40.7 5.8 20.8 -12.4 28 30 A Q H > S+ 0 0 43 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.899 112.2 46.1 -63.5 -42.3 4.5 19.0 -9.3 29 31 A I H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.919 110.6 52.6 -66.2 -43.9 8.0 18.6 -8.0 30 32 A D H X S+ 0 0 64 -4,-3.5 4,-1.3 1,-0.2 -2,-0.2 0.869 108.5 52.4 -62.5 -34.5 8.9 22.2 -8.8 31 33 A D H <>S+ 0 0 78 -4,-1.8 5,-2.4 -5,-0.3 -1,-0.2 0.867 106.2 51.0 -69.9 -38.1 5.9 23.2 -6.8 32 34 A V H ><5S+ 0 0 4 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.927 109.0 53.6 -63.9 -39.9 6.9 21.2 -3.7 33 35 A D H 3<5S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.813 103.1 55.5 -61.9 -32.6 10.3 22.9 -3.9 34 36 A K T 3<5S- 0 0 160 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.282 128.8-100.0 -83.4 10.0 8.6 26.3 -3.9 35 37 A G T < 5S+ 0 0 18 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.406 81.7 130.9 93.0 1.0 7.0 25.3 -0.7 36 38 A N < + 0 0 100 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.2 -0.777 31.0 179.4 -99.9 107.8 3.5 24.3 -2.0 37 39 A L + 0 0 31 -2,-0.8 2,-0.3 -3,-0.1 63,-0.0 -0.863 4.7 174.9-108.7 136.1 2.5 20.9 -0.6 38 40 A V - 0 0 86 -2,-0.4 2,-2.0 2,-0.1 6,-0.1 -0.977 41.8-112.2-136.3 151.0 -0.8 19.2 -1.4 39 41 A N + 0 0 87 -2,-0.3 58,-0.1 4,-0.1 3,-0.0 -0.356 63.4 142.5 -82.4 59.3 -2.0 15.7 -0.5 40 42 A E >> - 0 0 106 -2,-2.0 4,-2.9 1,-0.1 3,-1.8 -0.914 49.5-142.7-101.7 120.0 -2.0 14.4 -4.1 41 43 A P H 3>>S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.5 0.779 98.5 65.0 -47.3 -37.9 -0.8 10.7 -4.5 42 44 A S H 345S+ 0 0 30 1,-0.2 4,-0.2 2,-0.2 -18,-0.1 0.832 117.8 26.6 -60.3 -31.4 1.0 11.5 -7.7 43 45 A I H <>5S+ 0 0 3 -3,-1.8 4,-2.1 2,-0.1 -1,-0.2 0.824 122.5 50.6 -96.7 -39.8 3.4 13.8 -5.7 44 46 A T H X5S+ 0 0 2 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.877 113.7 45.3 -67.2 -38.2 3.2 12.2 -2.2 45 47 A b H X5S+ 0 0 19 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.816 109.5 56.9 -74.1 -30.5 3.9 8.6 -3.5 46 48 A Y H ><>S+ 0 0 37 -4,-2.0 5,-2.5 -5,-0.2 3,-1.0 0.920 112.2 48.0 -54.6 -48.0 13.2 8.1 -0.4 52 54 A E H ><5S+ 0 0 88 -4,-2.8 3,-2.6 1,-0.2 -2,-0.2 0.899 100.7 65.6 -59.3 -41.4 12.7 4.3 -0.5 53 55 A A H 3<5S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.751 109.4 39.1 -57.1 -25.5 14.9 4.1 -3.6 54 56 A F T <<5S- 0 0 57 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.097 116.2-109.5-114.1 24.7 17.8 5.2 -1.4 55 57 A S T < 5S+ 0 0 73 -3,-2.6 -3,-0.2 2,-0.2 12,-0.2 0.756 81.7 126.8 54.4 31.8 16.9 3.3 1.8 56 58 A L S - 0 0 63 4,-1.5 3,-2.0 -2,-0.3 -6,-0.1 -0.184 46.7 -70.6-106.9-164.4 11.3 1.4 4.9 59 61 A D T 3 S+ 0 0 118 1,-0.3 36,-0.1 2,-0.1 -7,-0.0 0.619 134.8 40.3 -74.6 -13.9 8.1 -0.5 3.9 60 62 A E T 3 S- 0 0 110 2,-0.1 -1,-0.3 35,-0.1 3,-0.1 0.030 121.5-103.9-116.1 24.5 6.0 1.4 6.4 61 63 A A < + 0 0 0 -3,-2.0 2,-0.5 1,-0.2 29,-0.2 0.810 64.3 158.0 60.6 32.9 7.7 4.7 5.7 62 64 A N - 0 0 71 27,-0.1 -4,-1.5 26,-0.0 2,-0.3 -0.803 43.1-122.6 -79.3 127.6 9.7 4.7 8.9 63 65 A V B -A 57 0A 23 -2,-0.5 2,-1.1 -6,-0.2 -6,-0.3 -0.554 8.5-138.9 -74.7 132.7 12.7 7.0 8.3 64 66 A D > - 0 0 65 -8,-3.4 4,-2.4 -2,-0.3 5,-0.1 -0.804 21.5-173.6 -89.5 98.2 16.2 5.6 8.7 65 67 A E H > S+ 0 0 93 -2,-1.1 4,-2.9 1,-0.2 5,-0.2 0.839 77.3 56.3 -68.9 -35.6 17.8 8.5 10.5 66 68 A D H > S+ 0 0 125 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.954 112.9 41.7 -55.8 -54.0 21.3 7.1 10.5 67 69 A I H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.923 114.4 52.9 -61.0 -43.7 21.3 6.8 6.7 68 70 A M H X S+ 0 0 38 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.936 111.9 44.4 -59.2 -48.4 19.5 10.2 6.3 69 71 A L H < S+ 0 0 19 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.936 112.1 51.5 -63.3 -47.6 22.1 12.0 8.4 70 72 A G H < S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.793 112.2 48.5 -57.7 -29.3 25.1 10.2 6.7 71 73 A L H < S+ 0 0 115 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.761 96.7 84.5 -84.8 -28.9 23.7 11.2 3.4 72 74 A L S < S- 0 0 39 -4,-1.6 5,-0.1 -3,-0.4 -3,-0.0 -0.353 96.8 -87.2 -71.6 157.7 23.1 14.9 4.3 73 75 A P > - 0 0 39 0, 0.0 4,-0.6 0, 0.0 3,-0.2 -0.245 40.7-111.4 -59.9 156.0 25.9 17.4 3.9 74 76 A D T 4 S+ 0 0 145 1,-0.2 4,-0.2 2,-0.2 3,-0.2 0.733 114.4 55.7 -67.6 -21.1 28.0 17.6 7.1 75 77 A Q T >4 S+ 0 0 144 1,-0.2 3,-0.9 2,-0.1 4,-0.3 0.912 103.4 50.6 -72.6 -47.6 26.7 21.2 7.8 76 78 A L T 3> S+ 0 0 11 1,-0.2 4,-3.2 -3,-0.2 5,-0.2 0.541 81.8 92.6 -72.8 -9.0 22.9 20.4 7.9 77 79 A Q H 3X S+ 0 0 52 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.826 82.4 57.1 -60.4 -31.4 23.3 17.5 10.3 78 80 A E H <> S+ 0 0 169 -3,-0.9 4,-1.2 -4,-0.2 -1,-0.2 0.962 114.2 35.8 -56.3 -61.8 22.6 19.9 13.2 79 81 A R H >> S+ 0 0 89 -4,-0.3 4,-2.1 2,-0.2 3,-0.7 0.956 116.1 56.6 -55.8 -53.9 19.3 21.1 11.9 80 82 A A H >X S+ 0 0 14 -4,-3.2 4,-2.0 1,-0.3 3,-0.8 0.919 106.4 47.3 -46.0 -58.2 18.4 17.7 10.5 81 83 A Q H 3X S+ 0 0 120 -4,-2.5 4,-0.5 1,-0.3 -1,-0.3 0.802 113.3 50.8 -58.6 -31.3 18.8 15.9 13.8 82 84 A S H S- 0 0 81 1,-0.1 4,-2.4 -33,-0.0 5,-0.2 -0.949 87.5 -80.6-168.2 173.9 -0.6 5.1 4.2 95 97 A N H > S+ 0 0 43 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.875 127.0 47.1 -55.9 -41.5 3.0 5.2 3.1 96 98 A b H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 113.0 46.8 -67.0 -45.6 2.4 8.1 0.8 97 99 A N H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.800 106.2 59.1 -72.9 -28.0 0.4 10.2 3.3 98 100 A K H X S+ 0 0 41 -4,-2.4 4,-1.7 2,-0.2 -7,-0.4 0.872 108.8 46.2 -63.4 -35.2 3.0 9.6 6.0 99 101 A I H X S+ 0 0 4 -4,-1.2 4,-3.1 -5,-0.2 -2,-0.2 0.839 109.0 54.7 -77.6 -31.2 5.5 11.2 3.7 100 102 A Y H X S+ 0 0 42 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.942 110.0 46.7 -59.5 -47.9 3.1 14.1 3.0 101 103 A N H X S+ 0 0 36 -4,-2.4 4,-1.8 -10,-0.3 -2,-0.2 0.903 114.3 48.2 -63.5 -39.5 2.8 14.7 6.7 102 104 A L H X S+ 0 0 19 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.962 108.8 53.2 -62.0 -54.4 6.6 14.5 7.0 103 105 A A H X S+ 0 0 5 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.852 110.4 46.2 -51.1 -41.9 7.2 16.9 4.1 104 106 A K H X S+ 0 0 88 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.883 111.5 52.3 -76.5 -32.2 4.9 19.6 5.5 105 107 A c H X S+ 0 0 22 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.923 114.9 41.6 -58.8 -48.9 6.5 19.2 9.0 106 108 A V H X S+ 0 0 36 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.875 112.6 53.6 -71.7 -39.7 10.0 19.7 7.5 107 109 A Q H < S+ 0 0 44 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.911 114.6 44.0 -51.9 -46.3 8.9 22.5 5.1 108 110 A E H < S+ 0 0 132 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.857 116.5 44.0 -70.8 -41.1 7.6 24.2 8.2 109 111 A S H < S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.778 131.3 18.6 -79.5 -28.6 10.5 23.6 10.5 110 112 A A X + 0 0 3 -4,-2.4 4,-2.0 -5,-0.1 3,-0.3 -0.532 61.3 156.1-145.5 74.2 13.2 24.5 7.9 111 113 A P T 4 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.846 74.8 65.5 -68.8 -29.7 12.0 26.5 4.9 112 114 A D T 4 S+ 0 0 120 1,-0.2 -2,-0.1 -3,-0.1 -5,-0.1 0.900 117.6 22.2 -55.4 -47.1 15.5 27.8 4.3 113 115 A V T 4 S+ 0 0 32 -3,-0.3 -1,-0.2 -6,-0.1 -6,-0.1 0.722 88.6 132.5 -97.2 -24.9 16.9 24.4 3.4 114 116 A W < + 0 0 37 -4,-2.0 2,-0.3 -8,-0.2 -7,-0.0 0.103 28.2 154.7 -41.2 134.3 13.7 22.6 2.3 115 117 A F - 0 0 76 -81,-0.0 2,-0.4 2,-0.0 -82,-0.1 -0.950 29.1-168.6-163.2 141.7 14.1 20.7 -1.0 116 118 A V 0 0 20 -2,-0.3 -83,-0.1 -87,-0.2 -69,-0.0 -0.994 360.0 360.0-129.6 139.0 12.7 17.7 -2.9 117 119 A I 0 0 32 -2,-0.4 -67,-0.1 -70,-0.1 -2,-0.0 -0.683 360.0 360.0 -98.4 360.0 14.5 16.4 -6.1