==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID-BINDING PROTEIN 17-NOV-08 2W3Y . COMPND 2 MOLECULE: VIRULENCE FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PECTOBACTERIUM CAROTOVORUM SUBSP. . AUTHOR S.QUEVILLON-CHERUEL,N.LEULLIOT,C.ACOSTA MUNIZ C,M.VINCENT, . 528 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 16.7 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 0 1 0 3 0 0 0 2 2 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 0 0 0 2 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 . 0 4 0 0 0 2 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 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 8 A Q > 0 0 136 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -14.8 7.2 27.5 23.3 2 9 A D H > + 0 0 125 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.778 360.0 51.6 -69.2 -27.2 8.2 27.4 19.6 3 10 A V H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.1 5,-0.2 0.912 107.0 52.3 -69.6 -46.2 7.0 23.8 19.8 4 11 A D H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.908 110.5 48.0 -52.8 -45.8 3.7 25.1 21.3 5 12 A L H X S+ 0 0 115 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.871 108.8 54.0 -65.0 -39.2 3.3 27.6 18.4 6 13 A Y H X S+ 0 0 40 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.931 115.0 39.9 -59.1 -47.8 4.1 24.8 15.8 7 14 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.853 109.9 58.9 -73.0 -36.3 1.3 22.6 17.2 8 15 A Q H X S+ 0 0 101 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.903 108.0 48.3 -57.1 -41.1 -1.1 25.6 17.7 9 16 A N H >< S+ 0 0 136 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.886 107.9 53.5 -69.1 -40.9 -0.9 26.3 14.0 10 17 A I H 3< S+ 0 0 20 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.938 113.2 42.8 -57.1 -46.4 -1.5 22.7 12.9 11 18 A H H 3< 0 0 28 -4,-2.1 -1,-0.2 10,-0.0 -2,-0.2 0.512 360.0 360.0 -87.7 -3.4 -4.7 22.4 14.9 12 19 A G << 0 0 91 -4,-0.7 -3,-0.1 -3,-0.5 -4,-0.0 -0.025 360.0 360.0 -73.1 360.0 -6.2 25.8 14.1 13 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 14 23 A R 0 0 147 0, 0.0 7,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 115.8 -8.4 19.4 25.2 15 24 A L + 0 0 108 4,-0.1 2,-0.2 5,-0.1 5,-0.1 0.565 360.0 105.8 -87.5 -12.2 -9.1 16.6 27.7 16 25 A A S >> S- 0 0 48 1,-0.1 3,-2.2 2,-0.1 4,-1.8 -0.492 76.0-126.6 -66.2 138.1 -12.8 15.8 26.9 17 26 A S T 34 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.736 112.9 49.5 -63.8 -24.6 -13.0 12.5 25.0 18 27 A N T 34 S+ 0 0 138 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.460 114.7 47.3 -86.2 -4.3 -15.0 14.2 22.3 19 28 A E T <4 S+ 0 0 82 -3,-2.2 -2,-0.2 -5,-0.1 -1,-0.1 0.606 84.6 103.0-112.2 -22.8 -12.4 17.0 22.2 20 29 A T S < S- 0 0 14 -4,-1.8 2,-0.3 1,-0.1 223,-0.2 -0.258 82.3 -96.3 -57.8 153.2 -9.1 15.0 22.0 21 30 A F B -a 243 0A 47 221,-2.2 223,-2.1 -7,-0.1 -1,-0.1 -0.558 33.6-112.7 -85.1 135.6 -7.5 14.9 18.5 22 31 A D - 0 0 102 -2,-0.3 2,-0.2 221,-0.2 49,-0.2 -0.302 32.6-143.3 -57.2 142.8 -8.0 12.0 16.1 23 32 A I - 0 0 26 47,-0.1 44,-0.2 222,-0.1 40,-0.1 -0.631 31.6 -80.7-106.3 168.1 -4.9 9.9 15.4 24 33 A V - 0 0 0 -2,-0.2 9,-0.1 39,-0.1 -1,-0.1 -0.538 57.2-106.9 -69.5 125.5 -3.8 8.2 12.2 25 34 A P - 0 0 63 0, 0.0 8,-0.2 0, 0.0 3,-0.1 -0.302 21.8-133.5 -58.7 136.6 -5.7 4.9 11.9 26 35 A G S S+ 0 0 5 1,-0.2 7,-2.0 6,-0.2 2,-0.4 0.807 87.9 29.0 -63.9 -34.9 -3.5 1.9 12.6 27 36 A L E S+B 32 0B 49 5,-0.2 2,-0.3 7,-0.0 5,-0.2 -0.980 72.9 146.7-137.3 127.7 -4.6 -0.1 9.6 28 37 A S E > -B 31 0B 16 3,-1.5 3,-1.0 -2,-0.4 121,-0.0 -0.946 59.1-108.8-149.8 160.1 -5.8 1.2 6.2 29 38 A K T 3 S+ 0 0 134 -2,-0.3 3,-0.1 1,-0.2 123,-0.1 0.795 121.3 54.8 -64.2 -23.0 -5.8 0.5 2.5 30 39 A D T 3 S- 0 0 32 1,-0.3 128,-0.4 127,-0.1 2,-0.2 0.480 127.4 -60.6 -88.3 -3.8 -3.4 3.5 2.3 31 40 A G E < -B 28 0B 0 -3,-1.0 -3,-1.5 126,-0.1 2,-0.3 -0.831 50.2-101.1 145.8 177.4 -0.9 2.1 4.8 32 41 A A E -Bc 27 159B 0 126,-2.0 128,-2.1 -2,-0.2 2,-0.5 -0.976 10.6-157.8-134.2 147.0 -0.4 1.0 8.4 33 42 A V E - c 0 160B 0 -7,-2.0 2,-0.8 -2,-0.3 128,-0.2 -0.993 15.9-149.6-121.2 121.1 1.1 2.5 11.5 34 43 A Q E - c 0 161B 0 126,-3.2 128,-2.0 -2,-0.5 2,-0.6 -0.810 11.2-155.9 -91.0 108.6 2.1 -0.1 14.1 35 44 A Y E + c 0 162B 0 -2,-0.8 218,-1.3 216,-0.2 2,-0.3 -0.796 25.7 168.9 -88.6 120.7 1.7 1.6 17.6 36 45 A Q E -dc 253 163B 0 126,-1.5 128,-1.3 -2,-0.6 2,-0.4 -0.951 33.5-163.9-139.1 151.6 4.0 -0.1 20.1 37 46 A T E -dc 254 164B 0 216,-1.9 218,-1.6 -2,-0.3 2,-0.6 -0.945 18.6-172.2-132.4 111.9 5.4 0.1 23.7 38 47 A Y E -dc 255 165B 0 126,-2.7 128,-2.2 -2,-0.4 2,-0.5 -0.916 6.8-171.9-109.2 124.1 8.4 -2.1 24.4 39 48 A Q E -dc 256 166B 8 216,-2.4 218,-3.3 -2,-0.6 2,-0.8 -0.967 13.4-150.5-109.9 127.3 9.9 -2.5 27.8 40 49 A F E -dc 257 167B 0 126,-2.7 128,-1.6 -2,-0.5 218,-0.2 -0.863 64.3 -17.4-102.3 105.4 13.1 -4.4 28.0 41 50 A N S S- 0 0 28 216,-3.3 217,-0.1 -2,-0.8 216,-0.1 0.464 86.5 -76.8 78.0 143.3 13.4 -6.2 31.4 42 51 A E - 0 0 114 214,-0.1 6,-0.0 1,-0.1 -2,-0.0 -0.438 53.9-113.6 -64.0 142.4 11.5 -5.6 34.6 43 52 A A - 0 0 8 -2,-0.1 -1,-0.1 1,-0.1 5,-0.1 -0.508 28.6-106.8 -75.9 145.6 12.7 -2.6 36.5 44 53 A P >> - 0 0 24 0, 0.0 3,-3.1 0, 0.0 4,-1.1 -0.395 44.4 -94.0 -66.0 157.1 14.5 -2.9 39.9 45 54 A K T 34 S+ 0 0 167 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.805 124.7 53.0 -43.5 -44.3 12.4 -1.8 42.9 46 55 A H T 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.467 113.5 41.9 -76.3 -2.0 13.8 1.8 42.9 47 56 A L T <> S+ 0 0 17 -3,-3.1 4,-2.4 2,-0.1 -1,-0.2 0.543 85.9 91.6-117.4 -11.4 13.0 2.4 39.2 48 57 A Q H X S+ 0 0 71 -4,-1.1 4,-2.3 -3,-0.5 5,-0.2 0.843 87.6 49.1 -55.7 -42.6 9.5 0.9 38.8 49 58 A K H > S+ 0 0 173 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.926 112.8 47.8 -61.4 -48.8 7.6 4.1 39.6 50 59 A Q H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.868 112.3 50.2 -58.7 -40.6 9.8 6.1 37.1 51 60 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.917 108.9 50.1 -68.2 -44.5 9.2 3.4 34.4 52 61 A K H X S+ 0 0 143 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.897 115.4 43.9 -61.4 -40.9 5.4 3.3 34.9 53 62 A A H X S+ 0 0 31 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.905 112.5 52.9 -67.2 -43.3 5.3 7.2 34.5 54 63 A G H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.879 106.8 52.3 -60.6 -42.0 7.8 7.1 31.6 55 64 A R H X S+ 0 0 33 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.915 110.7 47.4 -61.3 -45.1 5.6 4.6 29.7 56 65 A I H X S+ 0 0 101 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.922 112.3 50.2 -61.8 -46.5 2.5 6.8 30.1 57 66 A L H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.908 110.8 48.2 -56.5 -46.5 4.5 9.9 29.0 58 67 A M H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.897 108.9 52.3 -67.8 -40.2 5.8 8.2 25.9 59 68 A E H X S+ 0 0 27 -4,-2.0 4,-2.2 1,-0.2 187,-0.3 0.867 110.8 50.0 -61.1 -35.4 2.4 6.8 24.8 60 69 A R H X S+ 0 0 61 -4,-1.7 4,-2.4 2,-0.2 183,-0.4 0.895 110.0 49.1 -68.9 -41.9 1.1 10.4 25.1 61 70 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.892 110.6 51.4 -61.9 -42.6 3.9 11.8 23.0 62 71 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.934 112.1 45.6 -60.2 -46.6 3.3 9.1 20.3 63 72 A A H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.870 111.2 53.7 -66.3 -38.0 -0.5 10.0 20.2 64 73 A V H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.937 111.5 45.1 -58.7 -47.3 0.4 13.8 20.1 65 74 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.943 113.7 49.8 -63.0 -46.1 2.7 13.2 17.1 66 75 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.856 109.0 51.5 -60.2 -40.4 0.1 11.0 15.4 67 76 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.881 108.8 50.7 -66.9 -39.4 -2.7 13.6 15.9 68 77 A A H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.908 112.0 48.2 -60.0 -45.5 -0.6 16.4 14.4 69 78 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.917 109.3 52.8 -60.5 -48.9 0.2 14.2 11.3 70 79 A N H < S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 116.4 39.4 -54.4 -45.8 -3.5 13.3 10.9 71 80 A K H < S+ 0 0 99 -4,-2.0 -2,-0.2 -49,-0.2 -1,-0.2 0.921 117.8 48.5 -67.8 -48.3 -4.5 17.0 10.9 72 81 A K H < S+ 0 0 90 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.823 85.9 100.1 -67.6 -35.1 -1.5 18.1 8.8 73 82 A A < - 0 0 11 -4,-3.0 6,-0.1 -5,-0.2 3,-0.0 -0.337 63.8-150.6 -57.9 127.0 -1.8 15.5 6.1 74 83 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.628 78.9 14.4 -70.2 -18.4 -3.6 17.0 2.9 75 84 A S S > S- 0 0 48 1,-0.1 4,-0.8 0, 0.0 3,-0.3 -0.963 84.5-102.0-153.5 162.1 -5.0 13.6 2.0 76 85 A N T >4 S+ 0 0 69 -2,-0.3 3,-1.1 1,-0.2 4,-0.4 0.907 119.7 55.3 -56.7 -44.5 -5.6 10.1 3.5 77 86 A K G >4 S+ 0 0 127 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.871 102.3 57.3 -55.4 -40.5 -2.6 8.7 1.7 78 87 A E G >4 S+ 0 0 59 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.656 86.3 76.3 -72.5 -16.7 -0.3 11.4 3.1 79 88 A K G << S+ 0 0 33 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.764 100.3 46.5 -57.5 -24.6 -1.2 10.3 6.7 80 89 A Y G < S+ 0 0 1 -3,-1.5 2,-0.7 -4,-0.4 -1,-0.2 0.125 83.6 116.2-106.2 20.0 1.2 7.4 6.0 81 90 A H X> - 0 0 78 -3,-1.6 3,-1.3 1,-0.2 4,-1.1 -0.819 58.0-149.5 -92.6 115.7 4.0 9.5 4.4 82 91 A Y H 3> S+ 0 0 22 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.815 91.1 66.1 -52.5 -36.9 7.1 9.2 6.6 83 92 A D H 3> S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.831 100.4 50.2 -61.1 -32.2 8.4 12.7 5.7 84 93 A I H <> S+ 0 0 23 -3,-1.3 4,-1.8 -6,-0.2 -1,-0.2 0.895 110.5 49.5 -70.9 -42.1 5.4 14.3 7.5 85 94 A W H X S+ 0 0 1 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.881 111.3 50.6 -57.0 -42.9 6.0 12.2 10.6 86 95 A K H X S+ 0 0 80 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.923 107.1 52.9 -64.5 -43.6 9.7 13.3 10.4 87 96 A E H < S+ 0 0 94 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.901 113.0 44.6 -55.4 -42.9 8.7 17.0 10.2 88 97 A V H >X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 3,-1.1 0.900 112.6 50.2 -73.8 -42.6 6.5 16.7 13.3 89 98 A S H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.851 101.1 63.4 -62.2 -37.2 9.1 14.7 15.3 90 99 A N H 3< S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.596 105.3 48.7 -64.0 -10.5 11.9 17.3 14.4 91 100 A Q H <> S+ 0 0 61 -3,-1.1 4,-0.7 -4,-0.2 -1,-0.2 0.819 113.8 43.5 -93.0 -39.9 9.7 19.8 16.4 92 101 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.1 5,-0.3 0.867 105.6 62.3 -69.1 -42.7 9.2 17.5 19.5 93 102 A I H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -1,-0.1 0.901 102.8 44.1 -60.7 -52.7 12.8 16.2 19.8 94 103 A P H 4 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.856 116.5 52.0 -59.7 -31.9 14.8 19.5 20.5 95 104 A A H < S+ 0 0 12 -4,-0.7 -2,-0.2 1,-0.1 -3,-0.1 0.883 130.9 3.9 -72.3 -44.2 12.1 20.6 22.9 96 105 A F H < S+ 0 0 2 -4,-2.0 124,-1.6 -3,-0.1 2,-0.2 0.376 115.8 65.4-128.2 -0.9 11.8 17.5 25.2 97 106 A F E < -E 219 0B 11 -4,-2.2 2,-0.2 -5,-0.3 122,-0.2 -0.758 52.8-152.5-130.3 170.4 14.5 15.0 24.2 98 107 A T E +E 218 0B 62 120,-3.0 120,-2.9 -2,-0.2 317,-0.0 -0.781 68.8 37.3-135.6 177.2 18.2 14.4 24.0 99 108 A D E S- 0 0 25 -2,-0.2 -1,-0.2 118,-0.2 193,-0.1 0.914 79.0-151.3 40.1 62.2 20.7 12.3 21.9 100 109 A P E - 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