==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 04-SEP-12 4GX7 . COMPND 2 MOLECULE: CYTOLYSIN AND HEMOLYSIN HLYA PORE-FORMING TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR S.LEVAN,R.OLSON . 792 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 407 51.4 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 . 13 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 124 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 5.3 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+4), 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 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 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 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 PARALLEL BRIDGES PER LADDER . 7 11 3 6 6 12 6 6 6 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 6 5 0 0 2 0 0 0 0 1 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 1 585 A M 0 0 99 0, 0.0 130,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 105.4 39.1 67.6 9.0 2 586 A S B -A 130 0A 67 128,-0.2 128,-0.2 1,-0.0 3,-0.1 -0.908 360.0-123.6-128.0 156.6 38.8 65.3 12.0 3 587 A S - 0 0 5 126,-1.8 2,-0.1 -2,-0.3 101,-0.0 -0.283 42.7 -92.5 -79.7 170.5 36.0 63.8 14.1 4 588 A P - 0 0 77 0, 0.0 2,-0.8 0, 0.0 125,-0.4 -0.473 54.3 -89.0 -73.7 167.4 35.8 64.3 17.9 5 589 A I - 0 0 61 123,-0.1 2,-0.7 -2,-0.1 123,-0.2 -0.697 42.5-146.5 -79.2 113.8 37.6 61.6 19.9 6 590 A L E -B 127 0A 3 121,-2.7 121,-1.9 -2,-0.8 2,-0.4 -0.731 66.7 -7.3 -86.9 112.2 35.0 58.9 20.4 7 591 A G E S-B 126 0A 17 -2,-0.7 2,-0.3 119,-0.2 119,-0.3 -0.842 111.4 -24.3 106.5-141.2 35.6 57.4 23.8 8 592 A Y - 0 0 40 117,-3.4 2,-0.8 -2,-0.4 110,-0.2 -0.845 39.3-137.3-117.1 148.1 38.6 58.1 26.0 9 593 A T + 0 0 86 -2,-0.3 2,-0.3 -4,-0.1 4,-0.1 -0.460 62.1 128.4 -96.4 58.0 42.1 59.3 25.3 10 594 A Q + 0 0 95 -2,-0.8 115,-0.3 108,-0.1 116,-0.2 -0.715 50.9 20.6-107.0 164.1 43.7 56.8 27.6 11 595 A G S S- 0 0 51 -2,-0.3 109,-0.2 107,-0.1 2,-0.2 -0.147 106.6 -36.6 72.3-173.7 46.5 54.4 26.8 12 596 A K E -C 119 0A 67 107,-1.4 107,-1.9 106,-0.1 2,-0.5 -0.589 59.1-129.4 -85.3 146.1 49.0 54.8 23.9 13 597 A M E -C 118 0A 29 -2,-0.2 219,-0.4 105,-0.2 2,-0.4 -0.835 21.5-174.4 -99.2 129.5 47.8 56.2 20.6 14 598 A N E -C 117 0A 53 103,-2.6 103,-3.4 -2,-0.5 2,-0.4 -0.936 11.4-150.7-115.4 145.9 48.5 54.5 17.3 15 599 A Q E -Cd 116 233A 27 217,-2.6 219,-2.3 -2,-0.4 2,-0.4 -0.958 13.6-174.9-122.6 131.2 47.7 56.1 13.9 16 600 A Q E -Cd 115 234A 1 99,-3.1 99,-3.5 -2,-0.4 2,-0.2 -0.983 23.7-130.2-133.5 135.4 46.8 54.1 10.8 17 601 A R E -C 114 0A 93 217,-0.6 219,-0.3 -2,-0.4 97,-0.2 -0.549 41.4-105.9 -72.9 139.1 46.1 55.0 7.2 18 602 A V - 0 0 9 95,-2.3 -1,-0.1 -2,-0.2 6,-0.1 -0.471 40.8-114.7 -72.4 135.8 42.9 53.4 5.9 19 603 A G > - 0 0 9 4,-0.4 3,-1.2 18,-0.3 -1,-0.1 -0.024 23.4-102.7 -67.2 173.7 43.6 50.5 3.5 20 604 A Q T 3 S+ 0 0 91 1,-0.3 -1,-0.1 216,-0.1 -2,-0.1 0.770 121.4 57.5 -68.6 -25.4 42.8 50.3 -0.2 21 605 A D T 3 S- 0 0 76 2,-0.1 -1,-0.3 1,-0.0 34,-0.2 0.550 102.8-135.0 -82.1 -9.0 39.8 48.0 0.6 22 606 A N < + 0 0 50 -3,-1.2 33,-2.9 1,-0.2 2,-0.4 0.830 55.5 137.4 59.5 36.9 38.3 50.7 2.8 23 607 A R E -M 54 0B 81 14,-0.3 2,-0.6 31,-0.2 -4,-0.4 -0.886 50.4-138.8-113.8 145.8 37.5 48.3 5.7 24 608 A L E -M 53 0B 0 29,-3.0 29,-1.4 -2,-0.4 2,-0.3 -0.924 22.4-147.8-101.2 120.2 37.9 48.8 9.4 25 609 A Y E -MN 52 36B 48 11,-2.4 11,-1.5 -2,-0.6 2,-0.3 -0.719 20.8-177.8 -95.4 136.5 39.2 45.5 11.0 26 610 A V E -MN 51 35B 0 25,-3.2 25,-2.4 -2,-0.3 2,-0.5 -0.963 30.9-159.2-135.1 143.8 38.1 44.6 14.6 27 611 A R E +MN 50 34B 17 7,-2.1 7,-2.3 -2,-0.3 6,-1.4 -0.994 43.2 149.4-115.2 123.3 38.5 42.1 17.3 28 612 A A E +MN 49 32B 15 21,-2.2 21,-2.9 -2,-0.5 4,-0.2 -0.967 20.8 145.6-151.0 160.4 35.5 42.5 19.7 29 613 A G S S- 0 0 38 2,-2.6 3,-0.1 -2,-0.3 -1,-0.0 -0.158 89.7 -1.4-155.3-101.5 33.2 40.8 22.1 30 614 A A S S- 0 0 24 -2,-0.1 62,-0.4 64,-0.1 65,-0.3 0.711 142.8 -3.3 -76.0 -19.4 31.8 42.4 25.2 31 615 A A S S- 0 0 1 60,-0.2 -2,-2.6 37,-0.1 2,-0.8 -0.807 99.3 -68.4-150.0-169.3 33.8 45.5 24.2 32 616 A I E +N 28 0B 0 43,-1.0 92,-3.6 92,-0.3 -4,-0.2 -0.812 42.6 176.5 -97.0 107.5 36.3 46.5 21.5 33 617 A D E - 0 0 16 -6,-1.4 12,-2.2 -2,-0.8 2,-0.3 0.911 64.9 -4.9 -75.8 -43.0 39.5 44.6 22.0 34 618 A A E -NO 27 44B 0 -7,-2.3 -7,-2.1 10,-0.2 2,-0.3 -0.997 53.5-164.4-153.6 153.6 41.4 45.9 19.0 35 619 A L E +NO 26 43B 0 8,-1.6 8,-3.4 -2,-0.3 2,-0.3 -0.941 20.6 149.5-134.0 158.2 41.1 48.0 15.8 36 620 A G E -N 25 0B 0 -11,-1.5 -11,-2.4 -2,-0.3 6,-0.2 -0.981 54.8-108.5-176.4 168.0 43.2 48.4 12.7 37 621 A S S S+ 0 0 6 4,-0.5 -18,-0.3 -2,-0.3 2,-0.3 0.566 107.5 20.2 -84.6 -10.7 43.4 49.1 9.0 38 622 A A S > S- 0 0 10 -13,-0.1 3,-0.8 3,-0.1 -1,-0.1 -0.968 85.4-106.9-151.7 163.0 44.1 45.4 8.4 39 623 A S T 3 S+ 0 0 26 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.823 122.5 45.9 -67.4 -29.2 43.6 42.1 10.3 40 624 A D T 3 S+ 0 0 59 1,-0.2 -1,-0.3 587,-0.0 587,-0.0 0.606 106.7 62.0 -83.0 -14.3 47.4 41.9 11.0 41 625 A L < + 0 0 11 -3,-0.8 -4,-0.5 2,-0.1 2,-0.3 -0.146 69.0 144.7-108.1 39.3 47.5 45.5 12.1 42 626 A L - 0 0 32 -3,-0.5 2,-0.5 -6,-0.2 -6,-0.3 -0.595 34.0-155.6 -77.9 134.5 45.2 45.5 15.1 43 627 A V E +O 35 0B 14 -8,-3.4 -8,-1.6 -2,-0.3 2,-0.3 -0.954 55.4 40.2-113.9 127.2 46.1 47.8 18.0 44 628 A G E S-O 34 0B 28 -2,-0.5 -10,-0.2 -10,-0.2 79,-0.2 -0.979 93.8 -15.2 139.1-150.3 44.8 46.9 21.5 45 629 A G - 0 0 0 -12,-2.2 77,-0.2 77,-0.5 78,-0.1 -0.021 57.4-111.0 -85.8-172.6 44.4 43.7 23.5 46 630 A N S S+ 0 0 92 75,-0.4 584,-3.5 585,-0.1 585,-0.3 0.217 81.4 94.7-107.9 11.8 44.4 40.0 22.4 47 631 A G + 0 0 8 75,-0.5 -13,-0.1 582,-0.2 -14,-0.1 -0.133 53.1 43.1 -91.7-172.8 40.7 39.3 23.0 48 632 A G S S- 0 0 23 -21,-0.1 2,-0.3 -15,-0.1 -19,-0.2 0.086 79.9 -66.2 71.1-175.2 37.5 39.1 21.1 49 633 A S E -M 28 0B 87 -21,-2.9 -21,-2.2 580,-0.1 2,-0.3 -0.845 48.1-107.5-115.0 149.5 36.5 37.8 17.7 50 634 A L E +M 27 0B 49 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.549 47.9 148.9 -82.9 136.1 37.6 39.1 14.3 51 635 A S E -M 26 0B 48 -25,-2.4 -25,-3.2 -2,-0.3 2,-0.3 -0.966 29.8-134.9-156.4 166.7 35.2 41.1 12.0 52 636 A S E -M 25 0B 19 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.858 4.9-153.0-129.9 159.1 35.3 43.8 9.4 53 637 A V E -M 24 0B 0 -29,-1.4 -29,-3.0 -2,-0.3 2,-0.4 -0.982 19.1-130.0-136.7 125.4 33.4 47.0 8.6 54 638 A D E -M 23 0B 59 -2,-0.4 -31,-0.2 -31,-0.2 -32,-0.1 -0.586 14.2-164.0 -72.3 125.7 32.9 48.6 5.3 55 639 A L > + 0 0 9 -33,-2.9 3,-1.0 -2,-0.4 2,-0.3 0.474 57.7 105.9 -90.3 -3.7 33.8 52.3 5.6 56 640 A S T 3 S+ 0 0 58 -34,-0.4 -2,-0.1 1,-0.2 55,-0.1 -0.624 84.0 15.5 -79.9 134.1 32.1 53.2 2.3 57 641 A G T 3 S+ 0 0 46 -2,-0.3 26,-2.5 1,-0.3 2,-0.3 0.518 82.6 158.6 85.4 7.5 28.8 54.9 2.6 58 642 A V E < +P 82 0C 17 -3,-1.0 -1,-0.3 24,-0.2 24,-0.2 -0.492 14.4 170.1 -70.8 123.1 29.2 55.9 6.2 59 643 A K E + 0 0 43 22,-2.5 47,-3.0 1,-0.4 2,-0.3 0.806 67.5 3.5 -96.7 -39.9 27.0 58.9 7.2 60 644 A S E -PQ 81 105C 3 21,-1.6 21,-2.5 45,-0.3 2,-0.4 -0.999 55.7-149.8-148.9 148.4 27.5 58.7 11.0 61 645 A I E -PQ 80 104C 0 43,-3.0 43,-3.5 -2,-0.3 2,-0.5 -0.980 15.9-162.4-120.0 131.0 29.5 56.9 13.6 62 646 A T E -PQ 79 103C 17 17,-2.8 17,-3.3 -2,-0.4 2,-0.4 -0.948 3.6-153.9-120.5 122.7 28.1 56.4 17.1 63 647 A A E -PQ 78 102C 0 39,-3.7 39,-2.0 -2,-0.5 2,-0.5 -0.757 2.5-158.6 -98.5 139.0 30.2 55.5 20.1 64 648 A T E +PQ 77 101C 3 13,-3.3 12,-2.4 -2,-0.4 13,-1.9 -0.972 23.5 158.5-118.5 119.5 28.7 53.7 23.1 65 649 A S E +PQ 75 100C 0 35,-2.1 35,-1.2 -2,-0.5 2,-0.3 -0.700 9.1 109.0-126.5-180.0 30.6 53.9 26.4 66 650 A G E S-P 74 0C 3 8,-1.2 8,-2.1 33,-0.2 2,-0.8 -0.964 70.5 -14.5 146.0-162.8 29.8 53.5 30.1 67 651 A D E -PQ 73 97C 70 30,-2.4 30,-2.1 -2,-0.3 6,-0.2 -0.654 67.7-136.9 -80.8 111.3 30.4 51.3 33.1 68 652 A F E > - Q 0 96C 16 4,-3.1 3,-1.9 -2,-0.8 28,-0.2 -0.442 7.1-133.3 -71.5 137.7 31.8 48.0 31.7 69 653 A Q T 3 S+ 0 0 117 26,-2.4 -1,-0.1 1,-0.3 27,-0.1 0.791 109.1 47.8 -58.1 -29.6 30.4 44.8 33.2 70 654 A Y T 3 S- 0 0 131 25,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.112 129.8 -65.4-105.6 21.2 33.9 43.5 33.5 71 655 A G S < S+ 0 0 35 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.284 86.8 23.6 111.4 133.1 35.3 46.7 35.1 72 656 A G S S- 0 0 48 -4,-0.1 -4,-3.1 -3,-0.1 2,-0.6 0.085 88.1 -59.0 84.7 169.7 36.0 50.3 34.5 73 657 A Q E +P 67 0C 106 -6,-0.2 2,-0.3 23,-0.0 -6,-0.2 -0.841 69.7 171.1 -90.7 121.9 34.6 52.9 32.1 74 658 A Q E -P 66 0C 12 -8,-2.1 -8,-1.2 -2,-0.6 2,-0.8 -0.886 46.8-111.6-131.3 158.3 35.1 51.6 28.6 75 659 A L E +P 65 0C 0 49,-0.6 -43,-1.0 -2,-0.3 -10,-0.2 -0.855 43.0 170.3 -80.7 114.8 34.3 52.2 25.0 76 660 A V E + 0 0 0 -12,-2.4 16,-2.8 -2,-0.8 2,-0.3 0.653 53.0 19.4-105.6 -20.9 32.2 49.2 24.5 77 661 A A E -PR 64 91C 0 -13,-1.9 -13,-3.3 14,-0.3 2,-0.4 -0.998 44.4-164.0-155.1 145.9 30.7 49.8 21.0 78 662 A L E -PR 63 90C 0 12,-2.3 12,-2.5 -2,-0.3 2,-0.5 -0.996 19.6-161.1-126.5 123.6 31.0 51.7 17.7 79 663 A T E -PR 62 89C 4 -17,-3.3 -17,-2.8 -2,-0.4 2,-0.6 -0.933 1.9-157.3-111.0 122.2 27.9 51.8 15.6 80 664 A F E -PR 61 88C 0 8,-3.9 8,-2.6 -2,-0.5 2,-0.5 -0.861 5.8-167.7-100.4 121.1 28.2 52.6 11.9 81 665 A T E -PR 60 87C 28 -21,-2.5 -22,-2.5 -2,-0.6 -21,-1.6 -0.922 12.0-150.4-109.3 132.4 25.1 53.9 10.1 82 666 A Y E > -P 58 0C 31 4,-2.9 3,-2.4 -2,-0.5 -24,-0.2 -0.566 29.0-106.3-100.9 165.2 25.2 54.1 6.3 83 667 A Q T 3 S+ 0 0 89 -26,-2.5 -25,-0.1 1,-0.3 -1,-0.1 0.740 120.1 59.6 -58.7 -25.0 23.5 56.4 3.7 84 668 A D T 3 S- 0 0 130 -27,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.330 121.9-106.6 -88.2 7.1 21.2 53.5 2.8 85 669 A G S < S+ 0 0 59 -3,-2.4 -2,-0.1 1,-0.3 2,-0.0 0.315 74.8 139.1 89.2 -8.2 20.0 53.3 6.4 86 670 A R - 0 0 44 -5,-0.1 -4,-2.9 1,-0.0 2,-0.4 -0.327 37.6-153.2 -66.3 149.7 21.9 50.1 7.3 87 671 A Q E -R 81 0C 140 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.977 13.5-178.7-133.1 124.3 23.5 49.8 10.7 88 672 A Q E -R 80 0C 68 -8,-2.6 -8,-3.9 -2,-0.4 2,-0.4 -0.973 8.5-165.9-118.7 135.3 26.5 47.8 11.7 89 673 A T E -R 79 0C 61 -2,-0.4 2,-0.4 -10,-0.3 -10,-0.2 -0.949 6.7-164.8-122.7 136.3 27.9 47.6 15.2 90 674 A V E +R 78 0C 5 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.3 -0.936 68.3 18.3-115.1 143.4 31.2 46.3 16.5 91 675 A G E S-R 77 0C 21 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.711 96.5 -85.3 93.1-155.2 31.7 45.7 20.2 92 676 A S - 0 0 25 -16,-2.8 -60,-0.1 -62,-0.4 -2,-0.1 -0.993 17.9-160.2-153.0 155.0 28.5 45.4 22.3 93 677 A K S > S+ 0 0 99 -2,-0.3 3,-0.5 1,-0.1 6,-0.1 0.252 85.0 82.4-111.6 5.5 25.9 47.4 24.1 94 678 A A T 3 S+ 0 0 75 1,-0.2 -1,-0.1 -18,-0.1 -64,-0.1 0.577 87.8 49.4 -89.9 -10.7 24.9 44.3 26.1 95 679 A Y T 3 S+ 0 0 85 -65,-0.3 -26,-2.4 -19,-0.1 2,-0.3 -0.169 93.4 89.0-122.8 39.0 27.6 44.5 28.8 96 680 A V E < -Q 68 0C 23 -3,-0.5 2,-0.3 -28,-0.2 -28,-0.2 -0.982 49.2-166.1-137.5 146.5 27.4 48.1 29.9 97 681 A T E S+Q 67 0C 92 -30,-2.1 -30,-2.4 -2,-0.3 3,-0.1 -0.915 74.3 20.9-128.1 159.7 25.5 50.1 32.5 98 682 A N E S- 0 0 81 -2,-0.3 2,-0.2 -32,-0.2 -1,-0.2 0.922 90.9-178.8 48.8 50.6 24.9 53.8 33.0 99 683 A A E - 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