==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 28-NOV-09 3AB0 . COMPND 2 MOLECULE: BCLA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR V.A.STRELTSOV . 718 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 473 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 302 42.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 81 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 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 PARALLEL BRIDGES PER LADDER . 5 13 10 3 11 8 2 3 1 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 . 3 0 4 2 2 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 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 80 A G 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.3 -17.5 -50.1 43.6 2 81 A L - 0 0 191 1,-0.3 2,-0.3 0, 0.0 0, 0.0 0.801 360.0-142.2 -89.1 -34.9 -19.2 -48.9 46.8 3 82 A G - 0 0 66 131,-0.1 -1,-0.3 3,-0.0 3,-0.0 -0.721 40.4 -20.7 108.5-158.3 -20.8 -45.8 45.4 4 83 A L - 0 0 67 -2,-0.3 130,-0.1 1,-0.1 3,-0.1 -0.592 44.1-141.4 -87.5 149.4 -21.4 -42.3 46.9 5 84 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 32,-0.2 0.828 84.0 16.1 -75.1 -30.5 -21.3 -41.6 50.6 6 85 A A E +A 133 0A 1 127,-0.6 127,-2.6 30,-0.2 2,-0.3 -0.999 59.3 159.1-150.3 144.5 -24.2 -39.1 50.3 7 86 A G E -AB 132 35A 3 28,-2.0 28,-2.7 -2,-0.3 2,-0.4 -0.959 12.0-167.0-163.0 146.8 -27.0 -37.9 48.0 8 87 A L E -AB 131 34A 3 123,-2.5 123,-2.3 -2,-0.3 2,-0.5 -0.972 1.9-167.3-144.6 123.4 -30.3 -36.0 48.3 9 88 A Y E +AB 130 33A 92 24,-3.2 23,-2.5 -2,-0.4 24,-1.8 -0.956 18.4 168.8-111.5 125.5 -33.1 -35.6 45.8 10 89 A A E -AB 129 31A 0 119,-3.0 119,-3.1 -2,-0.5 2,-0.3 -0.926 8.1-179.8-134.0 157.5 -35.8 -33.0 46.4 11 90 A F E -AB 128 30A 56 19,-3.1 19,-2.2 -2,-0.3 2,-0.6 -0.950 27.3-117.5-149.2 168.0 -38.7 -31.4 44.5 12 91 A N E -A 127 0A 10 115,-1.7 2,-1.2 -2,-0.3 114,-0.7 -0.930 16.5-157.4-116.6 110.8 -41.5 -28.9 44.8 13 92 A S E S-A 125 0A 81 -2,-0.6 112,-0.1 1,-0.2 110,-0.1 -0.717 70.3 -53.6 -88.0 93.2 -45.0 -30.1 44.4 14 93 A G S S- 0 0 39 -2,-1.2 -1,-0.2 110,-1.1 109,-0.1 0.882 76.1-160.0 37.8 76.5 -46.9 -27.0 43.4 15 94 A G - 0 0 26 1,-0.2 109,-0.1 -3,-0.1 -1,-0.1 -0.129 22.1 -82.7 -75.2 173.8 -45.9 -24.5 46.1 16 95 A I S S+ 0 0 138 1,-0.2 2,-2.9 2,-0.1 -1,-0.2 -0.127 104.7 23.5 -72.2 172.1 -47.7 -21.3 47.1 17 96 A S S S- 0 0 109 1,-0.2 2,-1.9 3,-0.0 -1,-0.2 -0.240 75.0-158.7 65.4 -52.2 -47.3 -17.8 45.5 18 97 A L + 0 0 55 -2,-2.9 103,-1.4 104,-0.1 2,-0.3 -0.181 66.3 82.8 75.7 -45.3 -46.2 -19.5 42.1 19 98 A D E -E 120 0B 110 -2,-1.9 2,-0.4 101,-0.2 101,-0.2 -0.671 69.8-151.4 -87.6 146.2 -44.6 -16.2 41.0 20 99 A L E -E 119 0B 26 99,-3.2 99,-2.2 -2,-0.3 2,-0.1 -0.975 2.8-150.7-127.5 133.4 -41.1 -15.4 42.2 21 100 A G > - 0 0 31 -2,-0.4 3,-1.6 97,-0.2 93,-0.2 -0.372 44.4 -56.9 -93.2 174.6 -39.3 -12.1 42.8 22 101 A I T 3 S+ 0 0 42 1,-0.2 -1,-0.2 -2,-0.1 93,-0.2 -0.171 118.8 4.8 -54.1 137.0 -35.7 -11.1 42.6 23 102 A N T 3 S+ 0 0 1 91,-1.8 -1,-0.2 1,-0.2 92,-0.1 0.491 91.8 142.1 67.0 7.7 -33.2 -13.0 44.8 24 103 A D < - 0 0 29 -3,-1.6 90,-2.7 89,-0.1 -1,-0.2 -0.576 51.3-119.0 -78.4 139.5 -35.8 -15.4 46.1 25 104 A P B -F 113 0C 9 0, 0.0 88,-0.2 0, 0.0 21,-0.1 -0.402 23.6-114.3 -68.9 152.7 -34.9 -19.1 46.6 26 105 A V - 0 0 2 86,-2.4 86,-0.4 19,-0.2 2,-0.1 -0.825 36.3-132.2 -83.4 120.4 -36.6 -21.8 44.6 27 106 A P - 0 0 33 0, 0.0 18,-0.2 0, 0.0 2,-0.2 -0.485 21.7-171.2 -74.1 147.5 -38.5 -23.9 47.2 28 107 A F + 0 0 0 16,-1.4 -16,-0.3 -2,-0.1 -17,-0.2 -0.696 10.3 177.8-131.7 78.5 -38.3 -27.7 47.1 29 108 A N + 0 0 70 -2,-0.2 2,-0.4 -19,-0.1 -17,-0.2 0.398 59.2 56.3 -71.8 3.1 -41.0 -28.5 49.7 30 109 A T E -B 11 0A 48 -19,-2.2 -19,-3.1 14,-0.1 2,-0.5 -0.996 67.1-145.5-140.5 130.9 -40.6 -32.3 49.4 31 110 A V E -B 10 0A 64 -2,-0.4 -21,-0.3 -21,-0.2 3,-0.1 -0.839 10.3-172.9 -90.0 127.2 -37.7 -34.7 49.8 32 111 A G E - 0 0 41 -23,-2.5 2,-0.3 -2,-0.5 -22,-0.2 0.859 67.1 -29.8 -84.6 -41.8 -38.0 -37.6 47.3 33 112 A S E -B 9 0A 72 -24,-1.8 -24,-3.2 2,-0.0 -1,-0.4 -0.922 55.7-171.9-171.6 148.3 -35.1 -39.6 48.9 34 113 A K E -B 8 0A 86 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.2 -0.984 1.8-171.6-142.0 154.9 -31.8 -39.1 50.7 35 114 A F E +B 7 0A 106 -28,-2.7 -28,-2.0 -2,-0.3 4,-0.3 -0.984 52.5 16.4-142.5 155.3 -28.9 -41.3 51.8 36 115 A G S S- 0 0 38 -2,-0.3 -30,-0.2 -30,-0.2 -32,-0.0 -0.235 81.0 -95.0 75.7-171.0 -25.8 -40.7 54.0 37 116 A T S S+ 0 0 102 -32,-0.2 13,-0.2 3,-0.0 -1,-0.1 0.711 98.5 83.3-113.7 -32.5 -25.4 -37.8 56.4 38 117 A A S S+ 0 0 0 -33,-0.1 12,-2.3 11,-0.1 2,-0.5 0.787 87.5 53.8 -49.4 -44.5 -23.5 -35.1 54.6 39 118 A I E +G 49 0C 1 -4,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.861 66.2 162.4-106.2 122.9 -26.4 -33.5 52.7 40 119 A S E -G 48 0C 11 8,-3.0 8,-2.9 -2,-0.5 2,-0.5 -0.826 32.0-127.6-127.4 166.5 -29.5 -32.3 54.6 41 120 A Q E -G 47 0C 14 -2,-0.3 150,-0.6 6,-0.3 152,-0.2 -0.987 14.2-175.1-118.0 127.4 -32.4 -30.0 54.0 42 121 A L S S- 0 0 0 4,-1.4 148,-2.0 -2,-0.5 2,-0.2 0.945 71.7 -29.2 -79.7 -57.2 -33.3 -27.2 56.5 43 122 A D S S- 0 0 5 3,-1.2 -1,-0.3 146,-0.2 126,-0.1 -0.795 79.7 -75.9-142.2-172.8 -36.5 -26.0 54.8 44 123 A A S S+ 0 0 19 124,-0.4 -16,-1.4 -2,-0.2 -14,-0.1 0.854 131.2 43.8 -55.8 -34.4 -37.9 -25.9 51.2 45 124 A D S S+ 0 0 24 -18,-0.2 67,-0.4 1,-0.1 2,-0.4 0.834 111.6 50.0 -82.1 -36.9 -35.6 -23.0 50.5 46 125 A T - 0 0 0 65,-0.1 -4,-1.4 191,-0.1 -3,-1.2 -0.851 54.7-165.2-119.0 141.3 -32.3 -24.1 52.0 47 126 A F E -GH 41 110C 0 63,-2.3 63,-2.7 -2,-0.4 2,-0.4 -0.928 16.8-142.1-119.3 149.5 -30.1 -27.2 51.9 48 127 A V E -GH 40 109C 4 -8,-2.9 -8,-3.0 -2,-0.3 2,-0.6 -0.938 10.4-166.6-122.1 128.1 -27.2 -27.9 54.3 49 128 A I E +GH 39 108C 0 59,-3.5 59,-3.0 -2,-0.4 -10,-0.2 -0.956 10.2 173.9-114.0 113.9 -23.8 -29.5 53.6 50 129 A S + 0 0 57 -12,-2.3 2,-0.3 -2,-0.6 56,-0.1 0.121 58.3 65.8-110.2 16.7 -22.1 -30.5 56.8 51 130 A E S S- 0 0 59 -13,-0.3 57,-0.2 54,-0.1 54,-0.1 -0.985 78.4-118.5-136.9 146.9 -19.1 -32.3 55.3 52 131 A T + 0 0 71 -2,-0.3 2,-0.2 52,-0.1 52,-0.2 -0.438 62.3 81.5 -75.9 159.0 -16.1 -31.1 53.3 53 132 A G E S-C 103 0A 2 50,-2.8 50,-3.5 83,-0.2 2,-0.4 -0.758 79.4 -47.6 137.0 178.9 -15.6 -32.5 49.7 54 133 A F E -CD 102 135A 73 81,-1.2 80,-2.3 48,-0.2 81,-1.3 -0.750 52.7-169.6 -90.3 129.9 -16.6 -32.3 46.1 55 134 A Y E -CD 101 133A 0 46,-2.6 46,-2.5 -2,-0.4 2,-0.6 -0.976 17.4-145.3-128.2 135.5 -20.3 -32.1 45.4 56 135 A K E -CD 100 132A 74 76,-2.9 76,-2.3 -2,-0.4 2,-0.5 -0.881 18.4-172.4 -99.7 117.2 -22.3 -32.5 42.2 57 136 A I E -CD 99 131A 1 42,-3.1 42,-1.7 -2,-0.6 2,-0.4 -0.955 3.9-179.1-112.4 121.1 -25.4 -30.3 42.1 58 137 A T E -CD 98 130A 35 72,-2.5 72,-2.2 -2,-0.5 2,-0.4 -0.985 4.4-173.6-122.2 129.2 -27.9 -30.7 39.3 59 138 A V E -CD 97 129A 1 38,-3.6 38,-3.2 -2,-0.4 2,-0.4 -0.962 8.8-170.6-127.1 135.8 -31.1 -28.5 39.1 60 139 A I E -CD 96 128A 67 68,-2.4 68,-2.0 -2,-0.4 2,-0.4 -0.994 7.7-177.8-127.7 124.5 -34.0 -28.6 36.7 61 140 A A E -CD 95 127A 0 34,-2.6 34,-3.0 -2,-0.4 2,-0.5 -0.958 13.9-153.7-121.5 142.4 -36.7 -25.9 36.6 62 141 A N E -C 94 0A 49 64,-1.8 60,-2.4 -2,-0.4 2,-0.2 -0.952 17.7-154.3-118.9 113.2 -39.8 -25.8 34.4 63 142 A T B -L 121 0D 7 30,-0.8 58,-0.3 -2,-0.5 2,-0.2 -0.505 12.0-122.2 -89.7 151.0 -41.1 -22.3 33.6 64 143 A A > - 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