==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 12-AUG-09 3INO . COMPND 2 MOLECULE: PROTECTIVE ANTIGEN PA-63; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR S.LOVELL,A.S.WILLIAMS,A.ANBANANDAM,R.EL-CHAMI,J.G.BANN . 277 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 66.4 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 . 87 31.4 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 . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 26 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 0 2 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 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 . 2 1 5 4 0 2 0 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 . 2 0 4 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 1 593 A G 0 0 138 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.3 -10.0 -5.1 18.5 2 594 A S - 0 0 77 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.878 360.0-149.2-111.0 130.5 -10.5 -1.5 19.4 3 595 A R S S+ 0 0 122 -2,-0.5 13,-0.5 12,-0.1 2,-0.3 0.893 84.8 36.8 -58.3 -42.9 -9.6 1.6 17.3 4 596 A F S S- 0 0 16 11,-0.2 2,-0.4 15,-0.0 11,-0.3 -0.733 78.2-123.1-109.4 162.9 -8.9 3.7 20.4 5 597 A H E -A 14 0A 63 9,-2.3 8,-2.5 -2,-0.3 9,-1.0 -0.885 34.0-149.0 -99.2 139.7 -7.4 3.3 23.8 6 598 A Y E -A 12 0A 112 -2,-0.4 6,-0.2 6,-0.3 2,-0.0 -0.793 1.2-135.1-119.0 144.5 -9.9 4.3 26.6 7 599 A D > - 0 0 42 4,-2.7 3,-2.0 -2,-0.3 -1,-0.1 -0.117 46.7 -78.1 -88.4-167.8 -9.3 5.8 30.1 8 600 A R T 3 S+ 0 0 85 1,-0.3 268,-0.1 2,-0.1 -1,-0.1 0.718 133.5 52.9 -72.0 -14.9 -10.9 4.8 33.4 9 601 A N T 3 S- 0 0 29 2,-0.2 -1,-0.3 266,-0.1 3,-0.1 0.253 119.3-109.3 -98.9 13.5 -14.0 6.9 32.3 10 602 A N S < S+ 0 0 130 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.845 74.5 141.2 59.5 34.3 -14.3 5.0 29.0 11 603 A I - 0 0 100 2,-0.0 -4,-2.7 0, 0.0 2,-0.3 -0.913 59.9-111.5-102.7 131.9 -13.2 8.2 27.2 12 604 A A E +A 6 0A 24 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.499 47.4 158.3 -63.6 129.5 -10.8 7.8 24.2 13 605 A V E - 0 0 21 -8,-2.5 99,-2.7 -2,-0.3 100,-0.3 0.267 59.3 -1.6-137.6 4.2 -7.4 9.1 25.1 14 606 A G E -A 5 0A 0 -9,-1.0 -9,-2.3 97,-0.2 2,-0.3 -0.966 52.5-156.3-175.3-178.9 -5.0 7.4 22.7 15 607 A A - 0 0 6 -2,-0.3 -11,-0.2 -11,-0.3 -12,-0.1 -0.934 40.4 -73.9-169.8 160.9 -4.6 4.9 19.8 16 608 A D >> - 0 0 91 -13,-0.5 4,-1.6 -2,-0.3 3,-0.5 -0.248 50.0-109.8 -56.0 151.5 -2.0 2.6 18.2 17 609 A E H 3> S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.855 115.9 60.5 -55.0 -37.9 0.6 4.5 16.2 18 610 A S H 3> S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 105.0 48.1 -60.0 -41.2 -0.9 3.1 12.9 19 611 A V H <> S+ 0 0 31 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.933 113.6 45.6 -64.3 -47.2 -4.2 4.7 13.5 20 612 A V H X S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.934 114.7 47.2 -63.0 -44.8 -2.8 8.1 14.3 21 613 A K H >< S+ 0 0 76 -4,-2.7 3,-1.3 1,-0.2 4,-0.3 0.949 110.8 51.8 -64.9 -47.5 -0.3 8.1 11.4 22 614 A E H >< S+ 0 0 102 -4,-2.6 3,-1.5 -5,-0.3 4,-0.3 0.894 104.0 57.8 -55.0 -39.6 -3.0 7.0 9.0 23 615 A A H 3< S+ 0 0 22 -4,-1.9 -1,-0.3 1,-0.3 17,-0.2 0.701 113.7 39.3 -68.4 -16.2 -5.3 9.9 10.2 24 616 A H T << S+ 0 0 1 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.291 85.4 105.8-106.3 12.3 -2.6 12.4 9.2 25 617 A R < + 0 0 155 -3,-1.5 2,-0.8 -4,-0.3 -2,-0.1 0.830 66.9 65.1 -72.4 -30.5 -1.4 10.8 6.0 26 618 A E - 0 0 133 -4,-0.3 12,-0.6 12,-0.2 2,-0.5 -0.765 66.3-173.8-101.7 108.3 -3.0 13.2 3.6 27 619 A V E -B 37 0B 48 -2,-0.8 10,-0.2 1,-0.1 3,-0.2 -0.879 15.5-163.4-106.5 130.8 -1.6 16.7 3.8 28 620 A I E S+ 0 0 82 8,-2.1 2,-0.3 -2,-0.5 9,-0.2 0.869 78.1 2.1 -76.4 -44.7 -3.2 19.5 1.8 29 621 A N E -B 36 0B 89 7,-1.7 7,-2.6 2,-0.0 2,-0.5 -0.963 58.8-168.0-149.1 128.4 -0.2 22.0 2.1 30 622 A S E +B 35 0B 20 -2,-0.3 113,-2.9 5,-0.2 2,-0.3 -0.994 25.7 148.5-117.4 125.2 3.2 21.7 3.7 31 623 A S E > -B 34 0B 21 3,-2.3 3,-1.1 -2,-0.5 55,-0.1 -0.867 63.0 -94.5-140.1 176.7 5.3 24.9 4.1 32 624 A T T 3 S+ 0 0 41 -2,-0.3 63,-2.7 1,-0.3 3,-0.1 0.596 124.1 59.4 -71.0 -9.8 7.8 26.4 6.5 33 625 A E T 3 S- 0 0 89 1,-0.3 53,-2.0 61,-0.2 54,-0.8 0.626 121.0 -91.5 -90.5 -18.4 4.9 28.1 8.2 34 626 A G E < -BC 31 85B 2 -3,-1.1 -3,-2.3 51,-0.2 2,-0.4 -0.930 48.7 -49.1 145.6-161.3 3.3 24.7 9.0 35 627 A L E -BC 30 84B 1 49,-2.0 49,-2.7 -2,-0.3 2,-0.5 -0.936 28.0-161.0-122.1 135.2 0.8 22.1 7.8 36 628 A L E +BC 29 83B 15 -7,-2.6 -8,-2.1 -2,-0.4 -7,-1.7 -0.952 33.9 134.2-112.4 126.0 -2.7 22.2 6.5 37 629 A L E -BC 27 82B 1 45,-2.2 45,-2.9 -2,-0.5 2,-0.5 -0.986 53.3-102.2-163.0 165.4 -4.7 19.0 6.5 38 630 A N - 0 0 98 -12,-0.6 2,-0.4 -2,-0.3 -12,-0.2 -0.836 35.5-176.3 -97.3 125.4 -8.1 17.4 7.4 39 631 A I - 0 0 12 -2,-0.5 -15,-0.1 -15,-0.0 -16,-0.0 -0.995 31.0-111.3-124.0 131.6 -8.1 15.4 10.6 40 632 A D >> - 0 0 70 -2,-0.4 4,-2.5 -17,-0.2 3,-1.1 -0.244 26.1-125.3 -53.1 134.3 -11.2 13.4 11.9 41 633 A K H 3> S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.779 109.8 58.0 -53.5 -30.0 -12.7 15.0 15.0 42 634 A D H 34 S+ 0 0 59 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.800 107.7 45.6 -79.6 -23.2 -12.4 11.8 16.9 43 635 A I H X> S+ 0 0 0 -3,-1.1 3,-1.8 2,-0.2 4,-0.5 0.886 109.3 55.6 -77.8 -43.4 -8.7 11.7 16.3 44 636 A R H >< S+ 0 0 88 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.862 101.8 59.2 -54.5 -35.8 -8.3 15.4 17.3 45 637 A K T 3< S+ 0 0 120 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.629 101.8 52.5 -68.1 -22.2 -10.0 14.6 20.5 46 638 A I T <4 S+ 0 0 0 -3,-1.8 65,-3.0 -4,-0.2 2,-0.4 0.474 96.2 89.2 -96.7 5.8 -7.3 12.0 21.5 47 639 A L E << -E 110 0C 14 -3,-1.0 63,-0.3 -4,-0.5 3,-0.1 -0.812 51.2-168.5-109.1 137.4 -4.4 14.4 20.9 48 640 A S E - 0 0 35 61,-3.2 2,-0.3 -2,-0.4 62,-0.2 0.661 65.2 -84.8 -85.7 -17.1 -2.7 16.9 23.2 49 641 A G E -E 109 0C 3 60,-1.1 60,-2.5 23,-0.1 2,-0.3 -0.990 48.4 -68.3 143.4-158.5 -0.9 18.5 20.4 50 642 A Y E -E 108 0C 4 21,-2.0 2,-0.4 -2,-0.3 58,-0.2 -0.961 19.7-143.6-143.9 148.7 2.3 18.2 18.2 51 643 A I E -E 107 0C 0 56,-2.4 56,-2.7 -2,-0.3 2,-0.4 -0.978 18.4-152.4-116.8 132.0 6.1 18.6 18.5 52 644 A V E +E 106 0C 2 -2,-0.4 12,-3.0 54,-0.2 13,-0.7 -0.884 18.0 178.6-112.0 133.8 8.0 20.1 15.5 53 645 A E E -EF 105 63C 8 52,-2.6 52,-3.3 -2,-0.4 2,-0.4 -0.985 23.6-145.8-141.5 138.7 11.6 19.1 14.9 54 646 A I E -EF 104 62C 19 8,-2.8 8,-3.1 -2,-0.4 2,-0.5 -0.899 19.9-167.3-106.5 136.7 14.3 19.8 12.4 55 647 A E E -EF 103 61C 48 48,-2.5 48,-3.5 -2,-0.4 6,-0.2 -0.980 7.9-145.8-131.8 119.8 16.7 17.0 11.7 56 648 A D > - 0 0 30 4,-2.4 3,-2.5 -2,-0.5 46,-0.0 -0.221 34.9 -94.9 -82.8 173.9 19.9 17.4 9.8 57 649 A T T 3 S+ 0 0 78 1,-0.3 -1,-0.1 2,-0.1 45,-0.0 0.810 124.8 56.7 -60.2 -29.2 21.6 15.0 7.4 58 650 A E T 3 S- 0 0 135 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.400 120.8-106.4 -82.4 4.1 23.7 13.6 10.2 59 651 A G S < S+ 0 0 31 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.473 70.3 146.6 83.0 5.1 20.6 12.7 12.3 60 652 A L - 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