==== 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 28-AUG-07 2R2Z . COMPND 2 MOLECULE: HEMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR R.ZHANG,K.TAN,M.ZHOU,M.BARGASSA,A.JOACHIMIAK,MIDWEST CENTER . 84 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 60.7 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 . 30 35.7 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 3.6 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 1.2 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 . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 15.5 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 0 2 1 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 N 0 0 172 0, 0.0 3,-0.1 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 153.5 16.0 22.8 9.3 2 6 A L + 0 0 54 1,-0.1 12,-3.0 11,-0.1 2,-0.3 0.627 360.0 11.7 -81.1 -15.4 12.9 22.4 7.0 3 7 A Y E -A 13 0A 91 10,-0.2 2,-0.3 2,-0.0 10,-0.2 -0.981 60.3-162.2-152.7 161.7 13.5 18.7 6.6 4 8 A T E -A 12 0A 65 8,-2.5 8,-3.0 -2,-0.3 2,-0.2 -0.991 22.7-121.6-144.9 143.4 15.5 15.8 7.9 5 9 A Q E +A 11 0A 100 -2,-0.3 6,-0.3 6,-0.3 3,-0.1 -0.517 23.8 176.8 -68.5 149.7 16.4 12.4 6.6 6 10 A V E - 0 0 75 4,-2.8 2,-0.3 1,-0.5 5,-0.2 0.518 64.7 -21.2-120.8 -27.0 15.4 9.4 8.7 7 11 A A E > S-A 10 0A 44 3,-1.9 3,-2.1 0, 0.0 -1,-0.5 -0.953 96.0 -43.6-165.6 175.6 16.4 6.5 6.5 8 12 A D T 3 S- 0 0 134 -2,-0.3 74,-0.1 1,-0.3 3,-0.1 -0.343 128.5 -3.5 -51.5 128.8 17.2 5.5 2.9 9 13 A N T 3 S+ 0 0 76 1,-0.1 73,-2.6 72,-0.1 2,-0.4 0.624 115.7 102.6 63.5 19.3 14.5 7.2 0.7 10 14 A E E < +AB 7 81A 41 -3,-2.1 -4,-2.8 71,-0.2 -3,-1.9 -0.994 40.7 164.8-144.3 132.5 12.6 8.5 3.7 11 15 A Y E -AB 5 80A 46 69,-2.4 69,-2.9 -2,-0.4 2,-0.5 -0.918 32.2-130.0-141.4 156.1 12.5 12.0 5.2 12 16 A L E -AB 4 79A 44 -8,-3.0 -8,-2.5 -2,-0.3 2,-0.4 -0.964 28.6-166.0-108.5 131.9 10.4 14.2 7.6 13 17 A V E -AB 3 78A 0 65,-2.9 65,-3.2 -2,-0.5 -10,-0.2 -0.971 20.3-122.2-124.0 128.1 9.4 17.5 6.1 14 18 A Q E > - B 0 77A 63 -12,-3.0 3,-2.1 -2,-0.4 24,-0.3 -0.478 22.0-126.4 -66.4 138.4 8.1 20.5 8.0 15 19 A G T 3 S+ 0 0 3 61,-2.6 24,-2.5 1,-0.3 23,-0.4 0.795 107.4 63.1 -53.6 -32.9 4.7 21.7 6.8 16 20 A R T 3 S+ 0 0 143 60,-0.3 -1,-0.3 22,-0.2 2,-0.1 0.602 74.5 114.9 -72.5 -11.4 6.0 25.2 6.4 17 21 A X S < S- 0 0 2 -3,-2.1 21,-2.7 -15,-0.2 22,-0.2 -0.382 73.6-116.2 -59.8 133.0 8.5 24.1 3.7 18 22 A L B > -E 37 0B 71 19,-0.2 4,-2.7 1,-0.1 19,-0.3 -0.452 11.1-127.7 -69.5 143.8 7.6 25.7 0.4 19 23 A I H > S+ 0 0 6 17,-2.6 4,-2.6 1,-0.2 5,-0.2 0.917 114.1 52.4 -53.0 -45.2 6.6 23.4 -2.4 20 24 A D H > S+ 0 0 113 16,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.885 109.3 48.9 -61.8 -37.7 9.3 25.2 -4.6 21 25 A E H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.916 109.6 52.5 -64.4 -45.5 11.9 24.5 -1.8 22 26 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 6,-0.2 0.933 109.4 49.0 -56.5 -47.7 10.9 20.9 -1.7 23 27 A N H X>S+ 0 0 18 -4,-2.6 4,-1.6 1,-0.2 5,-0.8 0.897 111.6 49.3 -62.3 -38.8 11.3 20.5 -5.4 24 28 A E H <5S+ 0 0 166 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.936 116.4 41.4 -64.4 -47.1 14.7 22.1 -5.4 25 29 A V H <5S+ 0 0 62 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.926 126.7 31.2 -66.1 -44.8 16.0 19.9 -2.5 26 30 A F H <5S- 0 0 28 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.422 100.3-121.1-101.8 -0.6 14.5 16.6 -3.7 27 31 A E T <5 + 0 0 170 -4,-1.6 2,-0.2 -5,-0.2 -3,-0.2 0.903 64.0 143.2 62.0 43.1 14.5 17.1 -7.5 28 32 A T < - 0 0 15 -5,-0.8 -1,-0.2 -6,-0.2 -2,-0.0 -0.578 54.1-134.6-112.8 176.8 10.8 16.6 -7.8 29 33 A D + 0 0 137 -2,-0.2 2,-0.2 2,-0.0 -9,-0.1 -0.191 41.9 151.4-129.2 36.8 8.0 18.1 -9.9 30 34 A L + 0 0 6 -11,-0.2 2,-0.3 30,-0.0 -7,-0.1 -0.501 15.5 172.2 -71.4 139.5 5.2 19.0 -7.5 31 35 A H + 0 0 145 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.984 11.0 163.2-147.8 142.1 3.0 21.9 -8.5 32 36 A X > - 0 0 56 -2,-0.3 3,-1.0 3,-0.3 2,-0.1 -0.885 32.7-124.6-158.2 123.7 -0.3 23.3 -7.2 33 37 A S T 3 S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.391 89.6 8.9 -72.0 145.9 -1.8 26.7 -7.9 34 38 A D T 3 S+ 0 0 167 1,-0.1 2,-0.4 -2,-0.1 -1,-0.2 0.613 108.5 95.6 65.1 15.8 -2.7 29.1 -5.0 35 39 A V < + 0 0 28 -3,-1.0 -3,-0.3 1,-0.1 -1,-0.1 -0.998 43.6 175.1-135.9 132.3 -0.9 26.9 -2.4 36 40 A D + 0 0 115 -2,-0.4 -17,-2.6 -17,-0.1 -16,-0.4 0.697 53.8 62.2-113.2 -23.2 2.7 27.5 -1.4 37 41 A T B > S-E 18 0B 47 -19,-0.3 4,-2.4 -18,-0.1 -19,-0.2 -0.674 76.0-120.4-111.2 161.7 3.6 25.1 1.4 38 42 A X H > S+ 0 0 0 -21,-2.7 4,-2.5 -23,-0.4 5,-0.2 0.840 114.9 55.9 -66.5 -32.9 3.9 21.4 1.8 39 43 A A H > S+ 0 0 17 -24,-2.5 4,-2.4 -22,-0.2 5,-0.2 0.940 110.6 44.3 -60.5 -48.3 1.2 21.4 4.5 40 44 A G H > S+ 0 0 22 -25,-0.4 4,-2.4 1,-0.2 5,-0.2 0.897 112.3 54.8 -63.1 -40.0 -1.2 23.1 2.2 41 45 A Y H X S+ 0 0 11 -4,-2.4 4,-2.6 -26,-0.2 -2,-0.2 0.956 112.6 39.6 -58.1 -54.1 -0.2 20.7 -0.6 42 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.915 115.0 51.2 -69.4 -42.2 -0.9 17.6 1.3 43 47 A I H X S+ 0 0 37 -4,-2.4 4,-2.1 -5,-0.2 5,-0.3 0.945 113.7 45.9 -57.1 -47.2 -4.1 18.8 3.0 44 48 A T H < S+ 0 0 78 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.924 113.7 48.7 -62.1 -45.9 -5.5 19.9 -0.4 45 49 A A H < S+ 0 0 29 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.882 112.1 48.2 -64.9 -39.6 -4.5 16.6 -2.1 46 50 A L H < S- 0 0 43 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.855 95.2-147.3 -66.7 -37.0 -6.1 14.5 0.7 47 51 A G S < S+ 0 0 60 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.1 0.337 71.5 64.2 85.3 -5.4 -9.3 16.6 0.6 48 52 A T S S- 0 0 104 -5,-0.3 -2,-0.1 0, 0.0 -1,-0.1 -0.991 85.2-115.4-148.3 143.0 -9.9 16.2 4.3 49 53 A I - 0 0 82 -2,-0.3 2,-0.1 -3,-0.1 25,-0.1 -0.708 38.1-125.7 -81.7 121.8 -8.0 17.3 7.4 50 54 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.404 20.3-112.1 -65.6 146.8 -6.8 14.3 9.4 51 55 A D > - 0 0 117 1,-0.1 3,-2.4 -2,-0.1 2,-0.1 -0.349 50.5 -83.0 -62.3 149.7 -7.6 13.8 13.1 52 56 A E T 3 S+ 0 0 113 1,-0.3 -1,-0.1 17,-0.1 3,-0.1 -0.460 124.2 23.7 -55.7 131.7 -4.6 14.1 15.5 53 57 A G T 3 S+ 0 0 70 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.242 96.2 115.6 91.6 -11.7 -3.0 10.6 15.4 54 58 A E < - 0 0 108 -3,-2.4 -1,-0.3 1,-0.0 16,-0.0 -0.802 46.0-167.7 -93.8 134.0 -4.5 9.7 11.9 55 59 A K + 0 0 115 -2,-0.4 13,-0.1 -3,-0.1 -3,-0.0 -0.542 13.3 169.3-127.3 65.6 -1.8 9.3 9.2 56 60 A P - 0 0 44 0, 0.0 11,-2.5 0, 0.0 2,-0.3 -0.316 19.5-144.6 -72.0 163.4 -3.3 9.2 5.7 57 61 A S E -C 66 0A 53 9,-0.2 2,-0.4 -11,-0.1 9,-0.2 -0.870 12.2-154.8-130.6 159.5 -1.2 9.3 2.7 58 62 A F E -C 65 0A 65 7,-2.6 7,-3.1 -2,-0.3 2,-0.4 -0.999 14.4-153.6-131.6 129.2 -1.2 10.7 -0.9 59 63 A E E +C 64 0A 131 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.849 18.6 167.4-106.2 141.2 0.9 9.2 -3.6 60 64 A V E > -C 63 0A 44 3,-2.4 3,-2.3 -2,-0.4 -2,-0.0 -0.934 62.9 -36.3-152.8 123.3 2.1 11.2 -6.6 61 65 A G T 3 S- 0 0 83 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.335 125.4 -25.8 57.5-131.4 4.7 10.0 -9.1 62 66 A N T 3 S+ 0 0 77 21,-0.1 21,-3.0 -3,-0.1 2,-0.4 0.275 121.0 96.7 -96.7 17.0 7.3 8.0 -7.1 63 67 A I E < -CD 60 82A 7 -3,-2.3 -3,-2.4 19,-0.2 2,-0.4 -0.828 52.8-163.9-106.3 142.4 6.6 9.9 -3.9 64 68 A K E -CD 59 81A 43 17,-2.4 17,-2.5 -2,-0.4 2,-0.5 -0.997 10.1-164.0-121.4 126.4 4.3 9.0 -1.0 65 69 A L E -CD 58 80A 0 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.4 -0.938 7.2-171.4-109.8 127.3 3.4 11.8 1.4 66 70 A T E -CD 57 79A 16 13,-2.9 13,-2.5 -2,-0.5 2,-1.2 -0.938 30.1-122.2-121.3 140.7 2.0 11.0 4.8 67 71 A A E + D 0 78A 0 -11,-2.5 11,-0.2 -2,-0.4 3,-0.2 -0.683 40.3 171.3 -79.0 99.5 0.5 13.3 7.4 68 72 A E E + 0 0 33 9,-1.3 2,-0.4 -2,-1.2 10,-0.2 0.856 59.0 17.7 -84.1 -39.2 2.9 12.4 10.2 69 73 A E E - D 0 77A 102 8,-2.0 7,-2.0 -17,-0.1 8,-1.7 -0.951 60.4-170.1-143.8 122.0 2.0 15.0 12.9 70 74 A X E - D 0 75A 14 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.825 9.4-163.1-102.6 143.1 -1.1 17.2 13.3 71 75 A E E > S- D 0 74A 116 3,-2.9 3,-2.1 -2,-0.3 2,-0.2 -0.909 74.7 -54.7-121.6 99.2 -1.3 20.0 15.8 72 76 A G T 3 S- 0 0 39 -2,-0.5 -1,-0.0 1,-0.3 0, 0.0 -0.495 120.9 -23.4 58.6-130.5 -5.0 20.6 15.9 73 77 A T T 3 S+ 0 0 108 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.435 117.6 104.1 -90.4 2.7 -5.9 21.1 12.3 74 78 A R E < S- D 0 71A 115 -3,-2.1 -3,-2.9 -25,-0.1 2,-1.0 -0.718 70.4-135.9 -84.3 129.2 -2.4 22.2 11.3 75 79 A L E + D 0 70A 3 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.759 30.6 173.6 -82.3 104.4 -0.3 19.7 9.5 76 80 A L E + 0 0 25 -7,-2.0 -61,-2.6 -2,-1.0 2,-0.4 0.875 58.8 16.7 -79.7 -48.9 3.0 20.1 11.3 77 81 A V E -BD 14 69A 13 -8,-1.7 -8,-2.0 -63,-0.3 -9,-1.3 -1.000 60.3-159.1-138.0 134.2 5.2 17.4 9.8 78 82 A L E -BD 13 67A 0 -65,-3.2 -65,-2.9 -2,-0.4 2,-0.4 -0.848 13.1-141.5-104.0 146.2 5.0 15.2 6.7 79 83 A R E -BD 12 66A 81 -13,-2.5 -13,-2.9 -2,-0.4 2,-0.4 -0.903 20.5-163.3-100.0 137.6 6.7 11.9 6.1 80 84 A V E -BD 11 65A 0 -69,-2.9 -69,-2.4 -2,-0.4 2,-0.4 -0.989 8.8-172.7-124.8 124.9 8.0 11.5 2.6 81 85 A H E -BD 10 64A 41 -17,-2.5 -17,-2.4 -2,-0.4 2,-0.4 -0.963 11.1-151.3-113.0 138.0 9.0 8.2 1.0 82 86 A F E - D 0 63A 25 -73,-2.6 2,-0.2 -2,-0.4 -19,-0.2 -0.903 14.6-170.6-106.0 132.7 10.7 8.0 -2.4 83 87 A Y 0 0 89 -21,-3.0 -21,-0.1 -2,-0.4 -74,-0.0 -0.695 360.0 360.0-114.1 169.2 10.3 5.0 -4.7 84 88 A D 0 0 200 -2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.840 360.0 360.0 -99.1 360.0 11.9 3.8 -7.9