==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-OCT-09 2KPN . COMPND 2 MOLECULE: BACILLOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 14579; . AUTHOR J.M.ARAMINI,D.WANG,C.T.CICCOSANTI,H.JANJUA,B.ROST,T.B.ACTON, . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 21.6 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 2.1 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 . 15 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 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 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 0 0 0 0 1 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 1 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 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 1 657 A M 0 0 240 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.7 -35.4 2.1 15.7 2 658 A G - 0 0 65 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.933 360.0-103.7 160.2 178.4 -33.1 -0.9 15.4 3 659 A N - 0 0 176 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.930 16.4-139.0-133.0 155.8 -30.5 -2.9 13.4 4 660 A G - 0 0 60 -2,-0.3 2,-1.9 2,-0.0 -2,-0.0 -0.959 27.1-116.6-117.4 135.1 -30.4 -6.0 11.1 5 661 A E + 0 0 208 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.460 44.1 173.2 -70.3 83.5 -27.6 -8.6 11.2 6 662 A T - 0 0 117 -2,-1.9 2,-1.2 1,-0.0 -2,-0.0 -0.822 40.8-112.0 -92.6 131.6 -26.2 -8.2 7.7 7 663 A S - 0 0 117 -2,-0.5 2,-0.4 1,-0.1 -2,-0.0 -0.458 35.4-154.4 -65.7 94.0 -23.0 -10.1 6.9 8 664 A D - 0 0 25 -2,-1.2 2,-0.3 63,-0.1 -1,-0.1 -0.584 7.5-138.0 -73.5 124.5 -20.4 -7.3 6.5 9 665 A L - 0 0 84 -2,-0.4 30,-0.3 1,-0.1 29,-0.3 -0.646 22.2-113.2 -80.8 136.5 -17.5 -8.3 4.2 10 666 A E - 0 0 111 -2,-0.3 64,-0.1 1,-0.1 -1,-0.1 -0.491 47.8 -86.2 -70.3 140.7 -14.1 -7.2 5.4 11 667 A P - 0 0 5 0, 0.0 2,-0.9 0, 0.0 26,-0.3 -0.117 35.7-125.0 -56.6 135.9 -12.4 -4.6 3.1 12 668 A K E -A 36 0A 122 24,-3.0 24,-2.4 -3,-0.1 2,-0.5 -0.720 27.3-165.6 -82.8 105.1 -10.5 -5.8 0.1 13 669 A L E -A 35 0A 21 -2,-0.9 2,-0.6 22,-0.2 22,-0.2 -0.812 2.9-159.1 -91.7 128.4 -7.0 -4.3 0.3 14 670 A T E +A 34 0A 69 20,-3.1 20,-1.5 -2,-0.5 63,-0.1 -0.923 23.2 157.0-113.9 110.8 -4.9 -4.5 -2.9 15 671 A V - 0 0 29 -2,-0.6 2,-0.5 18,-0.2 63,-0.1 -0.997 41.6-121.5-135.1 132.0 -1.1 -4.2 -2.4 16 672 A P - 0 0 43 0, 0.0 64,-0.2 0, 0.0 3,-0.1 -0.616 16.5-149.3 -73.6 121.8 1.8 -5.4 -4.6 17 673 A V S S+ 0 0 121 -2,-0.5 63,-2.3 62,-0.2 2,-0.3 0.786 79.3 21.3 -64.1 -26.5 4.0 -7.8 -2.6 18 674 A G E +c 80 0B 48 61,-0.2 2,-0.3 44,-0.0 63,-0.2 -0.994 61.9 177.7-148.9 139.3 7.1 -6.7 -4.5 19 675 A A E -c 81 0B 18 61,-2.9 63,-2.5 -2,-0.3 2,-0.4 -0.968 9.6-160.4-137.3 151.5 8.3 -3.8 -6.7 20 676 A T E +c 82 0B 105 -2,-0.3 2,-0.2 61,-0.2 63,-0.2 -0.952 20.3 157.6-138.8 119.2 11.6 -2.8 -8.5 21 677 A I E -c 83 0B 18 61,-1.6 63,-2.2 -2,-0.4 2,-0.2 -0.754 31.6-110.5-131.0 176.6 12.6 0.7 -9.7 22 678 A H E > -c 84 0B 88 61,-0.2 3,-2.1 -2,-0.2 2,-0.5 -0.668 41.4 -82.9-109.2 163.7 15.8 2.6 -10.5 23 679 A V T 3 S+ 0 0 28 61,-2.1 33,-0.2 1,-0.3 63,-0.2 -0.521 121.3 18.5 -63.6 115.8 17.7 5.5 -8.9 24 680 A G T 3 S+ 0 0 60 31,-1.9 -1,-0.3 -2,-0.5 2,-0.2 0.410 98.5 130.5 99.7 0.5 15.9 8.7 -10.1 25 681 A D < - 0 0 71 -3,-2.1 -1,-0.3 30,-0.2 2,-0.2 -0.494 60.5-104.4 -88.8 157.5 12.7 6.9 -11.0 26 682 A S - 0 0 95 -2,-0.2 2,-0.3 -3,-0.1 -4,-0.1 -0.530 33.7-179.7 -82.4 144.8 9.1 7.8 -10.0 27 683 A F - 0 0 41 -2,-0.2 26,-0.1 26,-0.1 28,-0.0 -0.885 7.4-178.1-148.6 114.2 7.1 5.9 -7.3 28 684 A V >> - 0 0 83 -2,-0.3 3,-1.4 1,-0.1 4,-1.2 -0.873 4.7-173.5-116.2 99.8 3.6 6.8 -6.2 29 685 A P H 3> S+ 0 0 34 0, 0.0 4,-0.8 0, 0.0 3,-0.2 0.853 85.6 54.9 -59.9 -37.2 2.3 4.5 -3.3 30 686 A M H 34 S+ 0 0 84 1,-0.2 17,-0.1 2,-0.2 -2,-0.0 0.509 107.3 52.1 -79.1 -2.9 -1.3 5.9 -3.4 31 687 A A H <4 S+ 0 0 66 -3,-1.4 -1,-0.2 1,-0.1 3,-0.0 0.751 113.1 40.2 -97.3 -32.2 -1.6 5.1 -7.1 32 688 A E H < S+ 0 0 98 -4,-1.2 2,-0.4 -3,-0.2 -2,-0.2 0.443 108.3 69.3 -98.4 -2.6 -0.6 1.4 -7.0 33 689 A V < + 0 0 0 -4,-0.8 2,-0.3 -5,-0.2 -18,-0.2 -0.973 59.6 173.9-123.3 124.8 -2.5 0.6 -3.8 34 690 A L E -A 14 0A 72 -20,-1.5 -20,-3.1 -2,-0.4 2,-0.3 -0.826 14.8-162.6-123.9 162.3 -6.3 0.4 -3.5 35 691 A A E -A 13 0A 0 -2,-0.3 8,-2.1 -22,-0.2 9,-0.8 -0.910 10.5-178.5-149.3 121.6 -8.9 -0.6 -0.8 36 692 A I E -AB 12 42A 86 -24,-2.4 -24,-3.0 -2,-0.3 2,-0.4 -0.966 6.8-172.0-127.6 130.0 -12.6 -1.4 -1.4 37 693 A D - 0 0 6 4,-2.6 4,-0.3 -2,-0.4 -27,-0.1 -0.928 18.5-145.9-115.8 145.3 -15.4 -2.3 1.0 38 694 A K S S+ 0 0 152 -2,-0.4 -1,-0.1 -29,-0.3 4,-0.1 0.923 96.2 31.3 -72.6 -45.6 -18.9 -3.5 -0.1 39 695 A E S S+ 0 0 65 -30,-0.3 -1,-0.1 2,-0.1 -31,-0.0 0.925 130.1 31.4 -83.5 -49.4 -20.9 -1.9 2.7 40 696 A D S S- 0 0 54 1,-0.3 2,-0.3 -4,-0.0 -2,-0.1 0.823 103.8-139.5 -82.9 -33.5 -19.0 1.2 3.7 41 697 A G + 0 0 24 -4,-0.3 -4,-2.6 2,-0.0 2,-0.5 -0.835 56.1 11.4 116.0-150.6 -17.6 1.9 0.2 42 698 A D B +B 36 0A 100 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.2 -0.555 52.2 175.4 -70.6 118.9 -14.2 3.1 -1.2 43 699 A L > + 0 0 0 -8,-2.1 3,-1.1 -2,-0.5 4,-0.5 0.230 47.3 109.4-109.2 13.4 -11.7 2.9 1.7 44 700 A T G > S+ 0 0 20 -9,-0.8 3,-1.2 1,-0.3 -1,-0.1 0.872 78.5 53.4 -57.3 -38.9 -8.6 3.9 -0.5 45 701 A S G 3 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.755 103.2 58.8 -66.6 -24.0 -8.5 7.3 1.3 46 702 A K G < S+ 0 0 95 -3,-1.1 22,-0.3 -11,-0.1 -1,-0.2 0.529 77.1 122.5 -84.8 -6.4 -8.4 5.5 4.7 47 703 A I < - 0 0 13 -3,-1.2 2,-0.6 -4,-0.5 20,-0.2 -0.386 56.8-142.9 -63.6 123.2 -5.2 3.5 3.8 48 704 A K E -D 66 0B 139 18,-2.8 18,-1.7 -2,-0.2 2,-0.7 -0.802 12.3-156.9 -88.8 117.9 -2.4 4.1 6.3 49 705 A V E +D 65 0B 56 -2,-0.6 2,-0.3 16,-0.2 16,-0.2 -0.840 15.4 179.3-103.1 105.9 1.0 4.3 4.5 50 706 A D E +D 64 0B 110 14,-2.9 14,-2.7 -2,-0.7 2,-0.1 -0.792 41.0 30.4-108.2 148.0 3.9 3.5 6.8 51 707 A G S S- 0 0 43 -2,-0.3 2,-0.3 12,-0.2 12,-0.1 -0.395 72.9-101.6 99.9 179.1 7.7 3.4 5.9 52 708 A E - 0 0 156 10,-0.3 2,-0.5 -2,-0.1 10,-0.1 -0.983 14.9-156.3-150.3 133.8 9.7 5.3 3.3 53 709 A V - 0 0 19 -2,-0.3 2,-0.4 -26,-0.1 -26,-0.1 -0.943 13.3-159.3-111.4 120.8 11.2 4.5 -0.2 54 710 A D - 0 0 49 -2,-0.5 5,-0.1 3,-0.1 29,-0.1 -0.809 11.7-169.5 -99.4 139.3 14.2 6.5 -1.4 55 711 A T S S+ 0 0 39 -2,-0.4 -31,-1.9 1,-0.1 -30,-0.2 0.209 80.7 64.7-111.4 13.4 15.1 6.8 -5.1 56 712 A T S S+ 0 0 85 -33,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.675 101.9 48.9-102.6 -26.6 18.6 8.4 -4.7 57 713 A K S S- 0 0 118 28,-0.0 2,-0.2 2,-0.0 -1,-0.2 -0.943 86.5-120.9-116.5 135.9 20.2 5.4 -3.0 58 714 A A + 0 0 56 -2,-0.4 2,-0.3 -3,-0.1 26,-0.2 -0.533 62.1 88.5 -74.9 137.6 20.0 1.8 -4.1 59 715 A G E S- E 0 83B 27 24,-1.7 24,-3.2 -2,-0.2 2,-0.5 -0.948 73.1 -64.7 160.7-179.7 18.5 -0.7 -1.7 60 716 A T E - E 0 82B 86 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.852 39.1-177.8-103.4 130.8 15.3 -2.5 -0.4 61 717 A Y E - E 0 81B 52 20,-3.0 20,-2.5 -2,-0.5 2,-0.6 -0.991 13.5-150.0-129.1 125.1 12.5 -0.5 1.3 62 718 A V E - E 0 80B 70 -2,-0.4 2,-0.3 18,-0.2 -10,-0.3 -0.841 10.1-161.0-102.4 121.8 9.4 -2.1 2.8 63 719 A L E - E 0 79B 5 16,-2.6 16,-2.6 -2,-0.6 2,-0.4 -0.763 5.7-147.4 -99.9 144.4 6.1 -0.1 2.9 64 720 A T E -DE 50 78B 25 -14,-2.7 -14,-2.9 -2,-0.3 2,-0.5 -0.926 9.1-168.4-113.5 134.3 3.1 -1.0 5.2 65 721 A Y E +DE 49 77B 0 12,-3.2 12,-2.5 -2,-0.4 2,-0.4 -0.959 8.3 176.7-125.3 114.4 -0.6 -0.4 4.2 66 722 A T E -DE 48 76B 36 -18,-1.7 -18,-2.8 -2,-0.5 2,-0.4 -0.968 1.9-179.6-121.5 127.1 -3.3 -0.7 6.8 67 723 A V E - E 0 75B 0 8,-2.7 8,-2.4 -2,-0.4 2,-0.4 -0.979 8.7-158.5-129.4 137.6 -7.0 0.0 6.1 68 724 A T E - E 0 74B 59 -2,-0.4 6,-0.2 -22,-0.3 2,-0.2 -0.938 11.0-138.4-119.9 134.9 -10.0 -0.2 8.5 69 725 A D > - 0 0 3 4,-3.2 3,-1.9 -2,-0.4 -59,-0.0 -0.613 22.1-125.3 -82.8 149.1 -13.8 -0.5 7.8 70 726 A S T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.721 110.9 65.0 -66.8 -20.4 -16.3 1.6 9.8 71 727 A K T 3 S- 0 0 105 2,-0.1 -1,-0.3 1,-0.0 -63,-0.1 0.477 126.3 -98.3 -81.9 -4.0 -18.0 -1.7 10.7 72 728 A G S < S+ 0 0 59 -3,-1.9 2,-0.5 1,-0.3 -2,-0.1 0.348 80.9 131.2 108.2 -5.7 -14.9 -2.8 12.6 73 729 A H - 0 0 61 -64,-0.1 -4,-3.2 -5,-0.0 2,-0.4 -0.711 33.8-173.1 -84.3 122.6 -13.1 -5.1 10.1 74 730 A E E + E 0 68B 127 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.954 6.7 178.0-121.5 132.4 -9.4 -4.2 9.7 75 731 A V E - E 0 67B 42 -8,-2.4 -8,-2.7 -2,-0.4 2,-0.3 -0.959 3.6-172.4-131.1 149.9 -6.8 -5.6 7.2 76 732 A T E + E 0 66B 79 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.995 5.8 172.7-144.4 147.6 -3.1 -4.8 6.5 77 733 A A E - E 0 65B 35 -12,-2.5 -12,-3.2 -2,-0.3 2,-0.3 -0.969 18.4-134.1-149.0 161.4 -0.5 -5.7 3.9 78 734 A K E - E 0 64B 114 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.832 3.9-147.9-122.0 160.3 3.1 -4.8 2.9 79 735 A Q E - E 0 63B 0 -16,-2.6 -16,-2.6 -2,-0.3 2,-0.9 -0.987 9.5-148.5-129.4 122.1 5.1 -4.0 -0.3 80 736 A T E -cE 18 62B 59 -63,-2.3 -61,-2.9 -2,-0.4 2,-0.4 -0.778 19.3-170.5 -94.1 103.4 8.8 -4.8 -0.8 81 737 A V E -cE 19 61B 0 -20,-2.5 -20,-3.0 -2,-0.9 2,-0.5 -0.776 6.4-165.5 -96.8 133.5 10.4 -2.2 -3.0 82 738 A T E -cE 20 60B 51 -63,-2.5 -61,-1.6 -2,-0.4 2,-0.4 -0.950 3.7-162.8-121.3 112.4 13.9 -2.7 -4.4 83 739 A V E -cE 21 59B 3 -24,-3.2 -24,-1.7 -2,-0.5 2,-0.3 -0.785 11.9-175.6 -93.2 133.6 15.7 0.4 -5.9 84 740 A K E -c 22 0B 109 -63,-2.2 -61,-2.1 -2,-0.4 2,-0.2 -0.876 28.5 -97.1-127.7 162.2 18.8 -0.2 -8.2 85 741 A V - 0 0 57 -2,-0.3 -61,-0.0 -63,-0.2 -29,-0.0 -0.474 16.4-145.3 -81.6 146.6 21.3 2.0 -10.0 86 742 A R S S+ 0 0 187 -63,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.371 82.2 33.9 -91.4 3.5 20.9 2.9 -13.7 87 743 A E S S- 0 0 139 2,-0.0 2,-1.0 0, 0.0 -2,-0.1 -0.892 96.8 -81.9-145.4 175.3 24.7 2.9 -14.3 88 744 A E + 0 0 188 -2,-0.3 2,-0.5 1,-0.0 -2,-0.0 -0.748 47.8 162.0 -89.1 100.5 27.9 1.0 -13.2 89 745 A V - 0 0 106 -2,-1.0 -4,-0.1 2,-0.0 -2,-0.0 -0.881 24.6-158.1-116.4 95.9 29.2 2.5 -9.9 90 746 A K - 0 0 166 -2,-0.5 2,-0.5 1,-0.1 -2,-0.0 -0.182 11.0-126.6 -71.5 165.4 31.6 -0.1 -8.4 91 747 A N - 0 0 135 1,-0.0 2,-0.1 3,-0.0 -1,-0.1 -0.961 16.0-172.1-118.7 119.4 32.6 -0.3 -4.8 92 748 A D - 0 0 115 -2,-0.5 3,-0.1 1,-0.1 -1,-0.0 -0.255 68.8 -72.0-102.6 46.0 36.3 -0.4 -3.8 93 749 A K - 0 0 161 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 0.943 50.7-114.1 61.6 95.8 35.7 -1.2 -0.1 94 750 A P - 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.435 31.4-171.3 -55.7 100.6 34.2 1.8 1.8 95 751 A I + 0 0 162 -2,-0.8 2,-0.9 -3,-0.1 -2,-0.0 0.432 49.2 115.6 -79.7 1.4 37.1 2.5 4.2 96 752 A L 0 0 167 1,-0.2 -3,-0.0 0, 0.0 -1,-0.0 -0.631 360.0 360.0 -75.3 104.3 34.9 5.1 6.0 97 753 A E 0 0 226 -2,-0.9 -1,-0.2 0, 0.0 -2,-0.0 0.870 360.0 360.0 -93.8 360.0 34.5 3.6 9.5