==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 19-JUN-09 3HX6 . COMPND 2 MOLECULE: TYPE 4 FIMBRIAL BIOGENESIS PROTEIN PILY1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.R.REDINBO,J.ORANS . 977 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 290 29.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 114 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 3 0 1 1 1 2 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 . 1 1 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 PARALLEL BRIDGES PER LADDER . 13 10 7 8 11 6 4 2 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 . 3 3 3 4 0 0 0 0 0 0 2 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 1 644 A S 0 0 81 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -57.9 14.4 -5.4 2.1 2 645 A P + 0 0 74 0, 0.0 2,-1.0 0, 0.0 84,-0.2 0.515 360.0 89.4 -65.6 1.3 13.3 -3.4 5.2 3 646 A A + 0 0 1 36,-0.4 36,-2.6 82,-0.1 2,-0.4 -0.608 55.7 150.9-100.2 72.1 10.3 -5.8 5.0 4 647 A T E -A 38 0A 78 -2,-1.0 2,-0.6 34,-0.2 34,-0.3 -0.859 31.1-156.2-105.7 138.4 11.5 -8.8 7.1 5 648 A V E +A 37 0A 5 32,-3.8 32,-1.0 -2,-0.4 3,-0.1 -0.876 45.3 113.2-118.7 100.7 9.1 -11.0 9.1 6 649 A G + 0 0 16 -2,-0.6 28,-0.2 1,-0.5 3,-0.1 0.457 68.5 17.1-123.5 -91.5 10.6 -12.8 12.0 7 650 A K S S- 0 0 100 1,-0.2 -1,-0.5 25,-0.1 25,-0.1 -0.283 96.8 -70.6 -84.1 171.9 9.5 -12.0 15.6 8 651 A A - 0 0 10 20,-0.3 -1,-0.2 1,-0.1 89,-0.0 -0.323 43.3-133.6 -59.8 144.4 6.4 -10.1 16.7 9 652 A Q S S+ 0 0 96 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.841 78.4 47.7 -72.9 -34.6 6.7 -6.4 15.8 10 653 A Y S S- 0 0 58 14,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.547 82.4-108.5-108.7 171.2 5.6 -5.0 19.2 11 654 A L >> - 0 0 31 -2,-0.2 3,-2.3 1,-0.1 4,-2.0 -0.823 34.4-123.8 -94.3 134.6 6.3 -5.4 22.9 12 655 A T H 3> S+ 0 0 10 -2,-0.4 4,-2.4 1,-0.3 917,-0.2 0.838 107.9 61.1 -48.2 -42.3 3.4 -7.0 24.6 13 656 A Y H 34 S+ 0 0 91 915,-2.7 -1,-0.3 1,-0.2 916,-0.1 0.725 113.3 39.3 -62.7 -16.5 2.9 -4.2 27.2 14 657 A L H <4 S+ 0 0 89 -3,-2.3 4,-0.4 914,-0.3 -2,-0.2 0.820 121.8 38.2 -98.4 -39.1 2.2 -1.9 24.2 15 658 A A H >X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.1 3,-0.9 0.881 106.2 62.9 -81.1 -41.3 0.2 -4.1 21.9 16 659 A Q G >< S+ 0 0 47 -4,-2.4 3,-0.6 1,-0.3 6,-0.3 0.886 99.3 53.4 -54.0 -46.0 -2.0 -6.0 24.5 17 660 A P G 34 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.795 102.3 61.7 -62.5 -25.2 -3.8 -2.9 25.8 18 661 A I G <4 S+ 0 0 10 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.882 116.1 28.8 -67.3 -37.1 -4.7 -2.0 22.2 19 662 A E X< + 0 0 11 -4,-1.1 3,-2.1 -3,-0.6 -1,-0.3 -0.726 61.7 174.4-129.7 86.1 -6.7 -5.3 21.9 20 663 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.776 82.2 62.0 -58.7 -27.8 -8.2 -6.6 25.2 21 664 A S T 3 S+ 0 0 95 2,-0.0 2,-0.2 73,-0.0 -5,-0.0 0.527 103.9 58.8 -78.4 -4.6 -10.0 -9.3 23.2 22 665 A G S < S- 0 0 17 -3,-2.1 2,-0.4 -6,-0.3 72,-0.1 -0.575 75.5-130.8-115.9-179.1 -6.7 -10.8 22.1 23 666 A N > + 0 0 59 -2,-0.2 4,-1.2 1,-0.1 3,-0.2 -0.823 20.7 177.0-135.0 94.6 -3.5 -12.2 23.6 24 667 A Y H > S+ 0 0 0 -2,-0.4 4,-3.7 1,-0.2 5,-0.2 0.870 78.0 62.3 -67.6 -36.3 -0.3 -10.6 22.2 25 668 A S H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.897 106.4 45.5 -56.6 -41.3 2.0 -12.5 24.5 26 669 A T H > S+ 0 0 76 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.828 114.4 49.2 -71.5 -30.7 0.9 -15.8 23.1 27 670 A F H X S+ 0 0 21 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.926 112.2 47.9 -71.0 -45.4 1.2 -14.4 19.6 28 671 A A H X S+ 0 0 17 -4,-3.7 4,-0.8 1,-0.2 -20,-0.3 0.932 110.5 52.0 -59.8 -46.8 4.7 -13.1 20.3 29 672 A E H >X S+ 0 0 51 -4,-2.6 3,-1.0 -5,-0.2 4,-0.5 0.909 108.1 51.9 -56.2 -44.8 5.7 -16.4 21.8 30 673 A A H >< S+ 0 0 51 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.895 108.4 50.9 -59.9 -41.1 4.5 -18.2 18.7 31 674 A Q H >< S+ 0 0 17 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.562 88.0 81.4 -76.3 -8.3 6.5 -15.9 16.4 32 675 A K H << S+ 0 0 85 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.843 103.5 36.4 -63.6 -30.5 9.7 -16.5 18.4 33 676 A T T << S+ 0 0 120 -3,-1.0 -1,-0.3 -4,-0.5 2,-0.2 0.233 89.6 128.4-105.1 10.7 10.0 -19.7 16.4 34 677 A R < - 0 0 20 -3,-1.0 83,-0.1 -28,-0.2 -3,-0.1 -0.483 69.1-109.3 -72.0 135.7 8.7 -18.4 13.1 35 678 A A - 0 0 46 -2,-0.2 -1,-0.1 1,-0.1 -30,-0.1 -0.511 41.2-116.8 -67.3 114.9 10.8 -19.0 10.1 36 679 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.150 36.8-177.9 -54.0 143.3 12.3 -15.6 9.1 37 680 A R E -A 5 0A 50 -32,-1.0 -32,-3.8 13,-0.1 2,-0.5 -0.997 17.7-156.7-146.4 142.8 11.4 -14.2 5.7 38 681 A V E -A 4 0A 12 -2,-0.3 12,-2.2 -34,-0.3 2,-0.5 -0.980 12.5-155.7-124.5 118.2 12.3 -11.0 3.8 39 682 A Y E -B 49 0B 2 -36,-2.6 -36,-0.4 -2,-0.5 2,-0.4 -0.824 10.8-168.3 -98.1 128.3 10.0 -9.8 1.1 40 683 A V E -B 48 0B 55 8,-1.2 8,-1.8 -2,-0.5 2,-0.2 -0.900 18.2-125.2-117.0 144.2 11.4 -7.7 -1.7 41 684 A G E -B 47 0B 15 41,-0.7 6,-0.2 -2,-0.4 2,-0.2 -0.573 26.6-161.9 -85.6 151.4 9.5 -5.7 -4.3 42 685 A A - 0 0 16 4,-1.7 -1,-0.1 2,-0.4 5,-0.0 -0.475 43.6 -62.2-118.2-169.1 10.2 -6.2 -8.0 43 686 A N S S+ 0 0 74 -2,-0.2 62,-0.4 2,-0.1 63,-0.2 0.906 120.6 10.3 -39.6 -67.8 9.6 -4.3 -11.2 44 687 A D S S- 0 0 54 60,-0.1 -2,-0.4 61,-0.1 58,-0.1 0.273 123.4 -54.0 -90.6-141.1 5.8 -4.3 -11.0 45 688 A G S S+ 0 0 2 58,-0.2 59,-0.1 -4,-0.1 -2,-0.1 0.296 91.1 137.8 -85.5 12.4 3.7 -5.3 -8.0 46 689 A M - 0 0 40 57,-0.1 -4,-1.7 15,-0.1 2,-0.4 -0.343 38.5-158.5 -62.9 134.0 5.6 -8.6 -7.9 47 690 A L E -BC 41 60B 4 13,-1.7 13,-2.8 -6,-0.2 2,-0.6 -0.958 8.4-168.2-118.0 131.3 6.6 -9.9 -4.5 48 691 A H E -BC 40 59B 58 -8,-1.8 -8,-1.2 -2,-0.4 2,-0.6 -0.879 8.9-159.6-121.9 98.6 9.4 -12.4 -4.0 49 692 A G E +BC 39 58B 0 9,-1.2 9,-3.2 -2,-0.6 8,-2.1 -0.672 41.2 110.2 -81.2 118.9 9.5 -13.8 -0.4 50 693 A F + 0 0 63 -12,-2.2 2,-0.3 -2,-0.6 6,-0.2 -0.842 23.9 136.4 178.1 144.8 12.8 -15.3 0.4 51 694 A D + 0 0 64 4,-0.5 4,-0.4 1,-0.3 -2,-0.0 -0.955 40.8 66.7 177.4 171.4 15.9 -14.7 2.6 52 695 A T S S+ 0 0 55 -2,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.930 128.8 11.2 60.2 93.1 18.4 -16.1 5.0 53 696 A D S S- 0 0 87 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.816 116.1-108.5 74.0 32.4 20.3 -18.4 2.6 54 697 A G + 0 0 48 1,-0.1 2,-0.6 -4,-0.1 -1,-0.2 0.548 59.4 166.2 10.4 55.5 18.4 -16.5 -0.1 55 698 A N - 0 0 111 -3,-0.5 -4,-0.5 -4,-0.4 2,-0.2 -0.825 44.7-115.3 -95.3 118.3 16.1 -19.5 -1.0 56 699 A E + 0 0 113 -2,-0.6 -6,-0.2 1,-0.2 3,-0.1 -0.318 48.6 161.9 -52.3 111.3 13.1 -18.4 -3.2 57 700 A T + 0 0 60 -8,-2.1 2,-0.3 1,-0.3 -7,-0.2 0.833 55.2 5.7-102.1 -47.1 10.2 -19.2 -0.8 58 701 A F E -C 49 0B 51 -9,-3.2 -9,-1.2 2,-0.0 -1,-0.3 -0.938 51.1-169.1-140.7 160.5 7.3 -17.3 -2.1 59 702 A A E -C 48 0B 51 -2,-0.3 2,-0.4 -11,-0.3 -11,-0.2 -0.954 8.6-159.2-152.0 128.6 6.2 -15.1 -5.1 60 703 A F E -C 47 0B 23 -13,-2.8 -13,-1.7 -2,-0.3 -2,-0.0 -0.895 2.5-167.4-113.4 143.2 3.1 -13.0 -5.5 61 704 A I - 0 0 65 -2,-0.4 -15,-0.1 -15,-0.2 5,-0.1 -0.913 20.9-130.7-133.9 107.1 1.6 -11.9 -8.7 62 705 A P >> - 0 0 2 0, 0.0 4,-3.7 0, 0.0 3,-0.5 -0.119 23.1-116.9 -52.0 146.0 -1.2 -9.2 -8.8 63 706 A S H 3> S+ 0 0 69 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.855 120.1 53.0 -53.3 -35.3 -4.3 -9.8 -10.8 64 707 A A H 3> S+ 0 0 55 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.849 114.0 40.8 -69.6 -35.2 -3.3 -6.8 -12.8 65 708 A V H <> S+ 0 0 16 -3,-0.5 4,-1.1 2,-0.2 -2,-0.2 0.869 114.2 51.8 -79.8 -39.2 0.2 -8.3 -13.4 66 709 A F H < S+ 0 0 136 -4,-3.7 -2,-0.2 1,-0.2 -3,-0.2 0.789 114.1 44.8 -68.4 -27.8 -1.0 -11.8 -14.0 67 710 A E H < S+ 0 0 142 -4,-1.6 3,-0.2 -5,-0.3 -1,-0.2 0.785 101.7 63.5 -86.5 -29.8 -3.5 -10.6 -16.6 68 711 A K H < S+ 0 0 170 -4,-1.2 2,-2.0 1,-0.3 -2,-0.2 0.835 91.0 71.1 -61.5 -28.7 -1.1 -8.3 -18.3 69 712 A M < 0 0 109 -4,-1.1 -1,-0.3 -5,-0.1 -4,-0.1 -0.329 360.0 360.0 -81.6 53.9 0.7 -11.5 -19.1 70 713 A H 0 0 206 -2,-2.0 -3,-0.0 -3,-0.2 -4,-0.0 -0.988 360.0 360.0-157.0 360.0 -2.2 -12.3 -21.5 71 ! 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 72 721 A Q 0 0 168 0, 0.0 4,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-145.7 16.0 5.0 -15.4 73 722 A G > - 0 0 33 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.411 360.0 -80.0 117.2 165.2 19.0 3.7 -13.5 74 723 A G H > S+ 0 0 63 2,-0.2 4,-2.5 3,-0.2 5,-0.1 0.926 126.5 46.2 -68.9 -47.0 19.8 1.5 -10.5 75 724 A A H > S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 118.8 42.7 -60.7 -47.8 19.1 4.1 -7.8 76 725 A H H > S+ 0 0 1 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.917 115.1 48.2 -65.8 -45.2 15.9 5.1 -9.6 77 726 A Q H X S+ 0 0 57 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.879 107.4 58.0 -63.8 -36.2 14.7 1.6 -10.4 78 727 A F H X S+ 0 0 97 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.924 109.9 43.4 -59.5 -43.4 15.5 0.7 -6.8 79 728 A Y H < S+ 0 0 17 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.947 113.5 51.0 -66.5 -48.3 13.0 3.4 -5.6 80 729 A V H < S+ 0 0 10 -4,-2.8 25,-0.3 1,-0.2 -2,-0.2 0.891 109.2 49.1 -57.3 -45.0 10.4 2.4 -8.2 81 730 A D H < S+ 0 0 34 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.854 96.4 173.5 -63.5 -32.4 10.4 -1.3 -7.3 82 731 A G < - 0 0 19 -4,-1.3 -41,-0.7 -5,-0.3 -1,-0.1 -0.049 30.3 -86.2 60.8-160.2 10.1 -0.1 -3.8 83 732 A S - 0 0 25 -43,-0.1 -43,-0.1 -4,-0.1 -1,-0.1 -0.987 32.4-119.1-149.7 137.1 9.5 -2.3 -0.7 84 733 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 17,-0.2 -0.258 28.4-116.4 -73.4 167.9 6.3 -3.6 0.8 85 734 A V E -D 100 0C 29 15,-2.7 15,-3.5 -82,-0.1 2,-0.4 -0.904 26.8-168.2-107.1 131.1 5.2 -2.8 4.3 86 735 A V E +D 99 0C 28 -2,-0.5 2,-0.3 13,-0.3 13,-0.2 -0.954 18.9 149.6-118.5 139.9 5.0 -5.5 7.0 87 736 A A E -D 98 0C 8 11,-2.3 11,-3.7 -2,-0.4 2,-0.4 -0.987 46.0-103.9-161.2 161.9 3.3 -5.0 10.3 88 737 A D E +D 97 0C 2 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.773 45.0 171.5 -91.6 138.0 1.4 -6.8 13.1 89 738 A A E -D 96 0C 0 7,-2.6 7,-2.4 -2,-0.4 2,-0.5 -0.973 28.3-127.5-144.7 158.7 -2.3 -6.0 13.1 90 739 A F E +D 95 0C 15 -2,-0.3 62,-0.6 5,-0.2 2,-0.3 -0.939 46.1 124.0-114.9 126.7 -5.4 -7.3 14.8 91 740 A F E > +D 94 0C 23 3,-2.4 3,-1.7 -2,-0.5 -2,-0.1 -0.956 56.9 41.2-169.1 159.5 -8.6 -8.4 12.9 92 741 A G T 3 S- 0 0 58 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.813 131.1 -66.3 63.6 24.4 -10.8 -11.5 12.7 93 742 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 -71,-0.0 -1,-0.3 0.594 118.4 78.0 72.8 12.4 -10.4 -11.6 16.5 94 743 A A E < S-D 91 0C 40 -3,-1.7 -3,-2.4 -72,-0.1 2,-0.3 -0.960 81.3 -98.9-148.3 165.2 -6.7 -12.4 16.3 95 744 A W E +D 90 0C 13 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.618 42.2 173.1 -83.7 144.6 -3.2 -11.0 15.7 96 745 A H E -D 89 0C 33 -7,-2.4 -7,-2.6 -2,-0.3 2,-0.6 -0.929 33.5-125.0-143.8 163.1 -1.6 -11.4 12.3 97 746 A T E -D 88 0C 4 -2,-0.3 18,-2.3 -9,-0.2 19,-0.7 -0.979 38.0-168.4-112.4 122.7 1.5 -10.2 10.5 98 747 A V E -DE 87 114C 0 -11,-3.7 -11,-2.3 -2,-0.6 2,-0.4 -0.760 17.6-151.9-114.2 161.6 0.5 -8.5 7.3 99 748 A L E -DE 86 113C 0 14,-2.4 14,-3.0 -2,-0.3 2,-0.5 -0.998 8.8-160.8-132.3 124.6 2.3 -7.3 4.2 100 749 A I E +DE 85 112C 3 -15,-3.5 -15,-2.7 -2,-0.4 12,-0.2 -0.937 19.9 166.5-110.1 123.7 1.0 -4.3 2.2 101 750 A G E - 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