==== 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 TOXIN 15-DEC-06 2OAI . COMPND 2 MOLECULE: HEMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XYLELLA FASTIDIOSA; . AUTHOR M.E.CUFF,L.VOLKART,J.ABDULLAH,T.A.BINKOWSKI,A.JOACHIMIAK,MID . 80 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 61.2 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 . 27 33.8 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.5 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 . 3 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1 1 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 1 2 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 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 5 A E 0 0 246 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.7 33.2 44.6 12.9 2 6 A D - 0 0 138 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.076 360.0-111.9 -55.3 131.6 30.1 44.2 10.7 3 7 A A - 0 0 58 1,-0.1 3,-0.1 12,-0.0 -1,-0.1 -0.317 19.5-146.3 -51.0 138.5 26.8 42.7 12.2 4 8 A L S S+ 0 0 78 1,-0.2 12,-3.2 11,-0.1 2,-0.3 0.700 79.9 22.5 -85.9 -21.7 26.1 39.3 10.6 5 9 A X E +A 15 0A 59 10,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.990 64.0 179.4-148.9 134.0 22.4 39.7 10.7 6 10 A V E -A 14 0A 55 8,-2.5 8,-2.7 -2,-0.3 2,-0.5 -0.978 24.2-126.4-136.8 151.9 20.0 42.6 10.9 7 11 A T E -A 13 0A 93 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.844 21.5-142.5 -99.1 130.0 16.2 43.0 11.0 8 12 A R > - 0 0 102 4,-2.9 3,-2.2 -2,-0.5 -1,-0.0 -0.363 33.3 -97.5 -80.2 166.0 14.4 45.2 8.5 9 13 A E T 3 S+ 0 0 210 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.834 124.5 51.1 -53.0 -36.2 11.4 47.3 9.3 10 14 A D T 3 S- 0 0 104 1,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.380 122.8-102.9 -87.2 2.6 9.0 44.7 7.9 11 15 A G S < S+ 0 0 39 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.0 0.302 80.6 130.6 96.9 -9.9 10.6 41.9 10.0 12 16 A S - 0 0 7 -5,-0.1 -4,-2.9 66,-0.1 2,-0.4 -0.231 53.3-122.6 -69.1 166.6 12.6 40.4 7.1 13 17 A F E -AB 7 77A 34 64,-2.5 64,-3.1 -6,-0.2 2,-0.5 -0.941 11.6-153.7-121.2 139.0 16.3 39.7 7.7 14 18 A L E -AB 6 76A 43 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.4 -0.949 29.6-172.7-105.6 123.5 19.4 40.8 5.9 15 19 A I E -AB 5 75A 0 60,-2.7 60,-2.4 -2,-0.5 -10,-0.2 -0.938 25.8-118.4-130.0 135.9 22.1 38.2 6.5 16 20 A D E > - B 0 74A 19 -12,-3.2 3,-1.8 -2,-0.4 21,-0.2 -0.438 27.9-124.4 -67.2 139.1 25.9 37.9 5.8 17 21 A G T 3 S+ 0 0 1 56,-1.4 21,-3.2 1,-0.3 22,-0.4 0.747 107.1 65.1 -56.6 -23.5 26.7 35.0 3.5 18 22 A T T 3 + 0 0 79 55,-0.3 -1,-0.3 19,-0.2 55,-0.1 0.500 68.2 124.1 -80.4 -0.4 29.2 33.7 6.1 19 23 A L < - 0 0 9 -3,-1.8 18,-2.3 -15,-0.2 19,-0.1 -0.395 69.7-116.0 -62.1 127.1 26.5 32.9 8.7 20 24 A P B > -E 36 0B 51 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.374 15.4-125.1 -64.8 147.1 26.8 29.2 9.6 21 25 A I H > S+ 0 0 13 14,-2.5 4,-2.8 1,-0.2 5,-0.2 0.836 110.2 59.0 -59.9 -34.1 23.8 27.0 8.6 22 26 A E H > S+ 0 0 161 13,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.923 109.8 42.5 -59.7 -44.5 23.5 25.8 12.2 23 27 A E H > S+ 0 0 85 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.864 111.7 54.7 -71.9 -37.5 23.0 29.4 13.4 24 28 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 6,-0.3 0.923 105.7 53.3 -59.4 -43.5 20.7 30.1 10.5 25 29 A R H X>S+ 0 0 104 -4,-2.8 5,-2.1 1,-0.2 4,-0.9 0.886 109.9 48.6 -59.2 -40.8 18.5 27.2 11.5 26 30 A E H <5S+ 0 0 138 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.932 111.8 47.2 -67.0 -45.4 18.3 28.6 15.0 27 31 A V H <5S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.684 119.1 39.4 -75.6 -19.4 17.4 32.1 14.0 28 32 A L H <5S- 0 0 14 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.538 104.4-125.8 -95.6 -11.6 14.7 31.1 11.5 29 33 A G T <5 0 0 67 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.855 360.0 360.0 60.9 38.6 13.4 28.3 13.7 30 34 A A < 0 0 54 -5,-2.1 -5,-0.1 -6,-0.3 28,-0.1 0.349 360.0 360.0-107.8 360.0 14.0 26.0 10.7 31 ! 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 32 42 A N 0 0 165 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-154.6 26.8 18.6 3.7 33 43 A N + 0 0 122 1,-0.1 2,-0.3 6,-0.0 10,-0.0 0.143 360.0 44.9-100.1 12.5 28.8 20.2 0.9 34 44 A Y + 0 0 43 1,-0.1 -1,-0.1 8,-0.0 3,-0.1 -0.996 45.1 176.5-153.4 150.5 28.1 23.4 2.8 35 45 A H S S+ 0 0 143 -2,-0.3 -14,-2.5 -3,-0.1 -13,-0.4 0.342 71.8 57.9-131.5 -0.3 28.2 24.9 6.3 36 46 A T B > S-E 20 0B 24 -16,-0.3 4,-2.3 -15,-0.1 5,-0.2 -0.876 85.5-109.8-127.8 163.3 27.3 28.5 5.6 37 47 A L H > S+ 0 0 0 -18,-2.3 4,-2.1 -2,-0.3 -19,-0.2 0.910 120.0 48.5 -55.5 -46.5 24.5 30.5 4.0 38 48 A A H > S+ 0 0 20 -21,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.925 110.6 52.9 -61.4 -42.9 26.6 31.5 0.9 39 49 A G H > S+ 0 0 22 -22,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.892 106.9 51.9 -57.3 -41.3 27.7 27.8 0.6 40 50 A X H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 108.7 51.3 -65.3 -40.3 24.1 26.7 0.6 41 51 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.924 110.2 47.3 -58.9 -48.0 23.4 29.2 -2.2 42 52 A I H X S+ 0 0 64 -4,-2.3 4,-2.7 1,-0.2 5,-0.5 0.908 111.8 52.2 -63.7 -39.7 26.3 28.0 -4.4 43 53 A S H < S+ 0 0 47 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.919 112.3 45.5 -60.8 -44.1 25.1 24.4 -3.8 44 54 A Y H < S+ 0 0 142 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.939 121.7 34.3 -67.1 -50.3 21.6 25.2 -4.9 45 55 A F H < S- 0 0 31 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.766 91.2-140.7 -78.3 -27.4 22.4 27.2 -8.0 46 56 A G S < S+ 0 0 68 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.1 0.778 81.4 48.3 67.8 25.9 25.5 25.2 -9.0 47 57 A R S S- 0 0 119 -5,-0.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.918 109.9 -70.6-172.4 172.1 27.1 28.5 -10.0 48 58 A I - 0 0 84 -2,-0.3 -6,-0.1 -3,-0.1 23,-0.1 -0.751 60.8-133.2 -79.2 114.0 27.5 32.0 -8.6 49 59 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.147 12.3-112.4 -69.9 158.8 24.0 33.5 -8.7 50 60 A H > - 0 0 135 1,-0.1 3,-2.1 17,-0.0 14,-0.3 -0.628 43.4 -91.3 -80.7 152.3 23.0 36.9 -10.0 51 61 A V T 3 S+ 0 0 81 -2,-0.3 14,-0.2 1,-0.2 3,-0.1 -0.421 116.9 35.4 -56.7 136.5 21.8 39.5 -7.5 52 62 A G T 3 S+ 0 0 33 12,-2.7 -1,-0.2 1,-0.4 2,-0.1 0.192 86.6 121.2 98.0 -15.3 18.0 39.2 -7.4 53 63 A E < + 0 0 51 -3,-2.1 11,-2.6 11,-0.1 -1,-0.4 -0.470 40.2 176.3 -73.7 153.8 17.9 35.4 -7.8 54 64 A Y E -C 63 0A 117 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.969 20.6-168.0-152.7 164.5 16.2 33.5 -5.0 55 65 A F E -C 62 0A 9 7,-1.6 7,-3.1 -2,-0.3 2,-0.4 -0.958 25.9-114.2-149.6 165.6 15.0 30.1 -3.8 56 66 A D E +C 61 0A 78 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.863 32.6 170.6-108.2 139.9 12.8 28.7 -1.1 57 67 A W E > -C 60 0A 44 3,-2.8 3,-1.4 -2,-0.4 -2,-0.0 -0.963 65.6 -13.4-152.1 123.3 14.1 26.7 1.8 58 68 A A T 3 S- 0 0 58 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.821 129.1 -47.7 54.7 41.4 12.3 25.6 5.0 59 69 A G T 3 S+ 0 0 42 1,-0.2 21,-2.7 20,-0.1 2,-0.3 0.605 120.6 102.0 75.2 14.8 9.4 28.0 4.6 60 70 A W E < -CD 57 79A 19 -3,-1.4 -3,-2.8 19,-0.2 2,-0.5 -0.943 66.3-133.0-126.2 151.4 11.6 31.0 3.8 61 71 A R E -CD 56 78A 76 17,-3.2 17,-2.1 -2,-0.3 2,-0.6 -0.905 18.4-160.4-101.5 131.4 12.7 32.8 0.6 62 72 A I E -CD 55 77A 0 -7,-3.1 -7,-1.6 -2,-0.5 2,-0.4 -0.949 11.2-175.2-115.4 115.4 16.4 33.5 0.3 63 73 A E E -CD 54 76A 52 13,-2.8 13,-2.7 -2,-0.6 2,-0.5 -0.903 26.6-125.0-117.9 134.5 17.3 36.2 -2.2 64 74 A I E + D 0 75A 0 -11,-2.6 -12,-2.7 -2,-0.4 11,-0.2 -0.653 35.8 165.8 -74.6 124.3 20.8 37.3 -3.2 65 75 A V E + 0 0 47 9,-2.7 2,-0.3 -2,-0.5 10,-0.2 0.659 59.1 23.1-118.1 -15.7 21.1 41.0 -2.6 66 76 A D E - D 0 74A 60 8,-1.8 8,-1.9 -16,-0.1 7,-1.5 -0.950 53.5-173.5-151.1 134.6 24.8 41.7 -2.8 67 77 A L E - D 0 72A 46 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.884 11.7-159.6-109.9 149.9 27.9 40.2 -4.4 68 78 A D E > S- D 0 71A 67 3,-2.4 3,-2.2 -2,-0.3 2,-0.2 -0.888 72.4 -61.6-122.4 96.5 31.4 41.3 -3.9 69 79 A G T 3 S- 0 0 70 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 -0.475 122.6 -13.8 61.5-124.3 33.0 39.7 -7.0 70 80 A A T 3 S+ 0 0 67 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.631 115.8 103.7 -80.7 -14.9 32.5 36.0 -6.5 71 81 A R E < - D 0 68A 142 -3,-2.2 -3,-2.4 1,-0.1 2,-1.2 -0.529 69.4-139.0 -75.7 128.2 31.5 36.4 -2.8 72 82 A I E + D 0 67A 5 -2,-0.3 -5,-0.2 -5,-0.2 -55,-0.2 -0.766 35.4 173.0 -81.6 99.6 27.8 36.1 -2.0 73 83 A D E + 0 0 33 -7,-1.5 -56,-1.4 -2,-1.2 2,-0.4 0.849 50.4 18.0 -89.7 -35.7 28.0 38.9 0.5 74 84 A X E -BD 16 66A 53 -8,-1.9 -9,-2.7 -58,-0.2 -8,-1.8 -1.000 58.4-170.7-143.7 139.1 24.4 39.7 1.6 75 85 A L E -BD 15 64A 0 -60,-2.4 -60,-2.7 -2,-0.4 2,-0.5 -0.916 17.4-138.3-124.4 151.0 21.1 37.8 1.5 76 86 A L E -BD 14 63A 15 -13,-2.7 -13,-2.8 -2,-0.3 2,-0.5 -0.957 17.8-163.0-108.5 128.8 17.5 38.8 2.2 77 87 A L E +BD 13 62A 0 -64,-3.1 -64,-2.5 -2,-0.5 2,-0.4 -0.950 11.7 175.6-112.8 124.5 15.4 36.2 4.1 78 88 A Q E - D 0 61A 71 -17,-2.1 -17,-3.2 -2,-0.5 2,-0.2 -0.996 33.0-117.1-131.5 134.6 11.6 36.6 4.1 79 89 A R E - D 0 60A 185 -2,-0.4 -19,-0.2 -19,-0.2 2,-0.2 -0.513 41.3-102.0 -72.1 134.6 9.2 34.2 5.6 80 90 A L 0 0 62 -21,-2.7 -1,-0.1 -2,-0.2 -24,-0.0 -0.460 360.0 360.0 -67.7 129.6 6.9 32.6 3.0 81 91 A N 0 0 208 -2,-0.2 -1,-0.1 -3,-0.0 -2,-0.1 0.402 360.0 360.0 -34.3 360.0 3.7 34.6 3.4