==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT, TOXIN 15-AUG-11 3TEY . COMPND 2 MOLECULE: PROTECTIVE ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.K.FELD,B.A.KRANTZ . 701 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 193 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 74 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 1 2 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 8 3 8 5 6 5 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 2 2 1 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 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 15 A S 0 0 118 0, 0.0 24,-0.1 0, 0.0 432,-0.1 0.000 360.0 360.0 360.0 -36.6 -25.8 10.4 -0.5 2 16 A S + 0 0 38 431,-0.1 2,-0.1 430,-0.1 431,-0.1 0.368 360.0 90.9 -94.5 0.7 -26.6 11.6 -4.0 3 17 A Q + 0 0 25 429,-0.1 2,-0.3 20,-0.1 135,-0.1 -0.451 51.0 73.4 -91.0 166.7 -28.9 8.5 -4.2 4 18 A G S S- 0 0 0 133,-0.1 21,-0.2 -2,-0.1 2,-0.2 -0.802 83.7 -27.9 128.6-168.8 -32.6 8.1 -3.3 5 19 A L E -A 24 0A 0 19,-1.4 19,-1.9 21,-0.3 2,-0.5 -0.540 57.2-124.0 -77.9 146.8 -35.9 9.1 -4.7 6 20 A L E -AB 23 52A 1 46,-2.7 46,-2.2 132,-0.2 2,-0.4 -0.819 30.2-159.9 -92.5 125.9 -36.3 12.3 -6.9 7 21 A G E -AB 22 51A 0 15,-2.9 15,-2.2 -2,-0.5 2,-0.5 -0.871 16.4-167.1-113.4 138.2 -38.9 14.7 -5.6 8 22 A Y E -AB 21 50A 9 42,-2.5 42,-2.1 -2,-0.4 2,-0.5 -0.995 11.9-165.7-118.9 122.5 -40.8 17.5 -7.2 9 23 A Y E -AB 20 49A 0 11,-2.8 10,-3.2 -2,-0.5 11,-1.6 -0.958 7.4-164.2-116.1 123.2 -42.6 19.9 -4.8 10 24 A F E -AB 18 48A 0 38,-3.0 38,-1.4 -2,-0.5 37,-1.3 -0.824 25.3-151.2-113.2 145.7 -45.2 22.2 -6.2 11 25 A S S S+ 0 0 20 6,-2.1 -1,-0.1 -2,-0.3 2,-0.1 0.820 84.4 67.4 -78.3 -31.6 -46.9 25.3 -4.8 12 26 A D S > S- 0 0 32 5,-0.3 3,-0.6 34,-0.1 35,-0.2 -0.375 88.7-119.6 -86.0 168.3 -50.0 24.7 -6.9 13 27 A L T 3 S+ 0 0 45 1,-0.2 36,-0.1 -2,-0.1 -1,-0.1 0.705 103.2 53.4 -79.9 -19.2 -52.5 21.8 -6.5 14 28 A N T 3 S- 0 0 92 34,-0.1 -1,-0.2 93,-0.1 93,-0.1 -0.007 110.8-100.0-116.0 30.8 -51.9 20.4 -10.0 15 29 A F S < S+ 0 0 26 -3,-0.6 -2,-0.1 2,-0.1 92,-0.0 0.837 89.9 110.9 65.7 35.8 -48.2 19.8 -10.6 16 30 A Q + 0 0 141 1,-0.2 -1,-0.1 145,-0.1 156,-0.1 0.672 65.5 51.7-114.8 -25.6 -47.6 23.0 -12.7 17 31 A A S S- 0 0 32 -5,-0.0 -6,-2.1 155,-0.0 -5,-0.3 -0.696 71.0-162.8-119.5 80.3 -45.5 25.3 -10.5 18 32 A P E +A 10 0A 7 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.444 15.9 172.3 -68.4 126.9 -42.4 23.4 -9.2 19 33 A M E + 0 0 18 -10,-3.2 2,-0.4 1,-0.3 -9,-0.2 0.737 67.8 19.7-101.2 -37.2 -40.8 25.2 -6.3 20 34 A V E -A 9 0A 0 -11,-1.6 -11,-2.8 170,-0.1 2,-0.5 -0.999 52.9-173.6-138.2 137.3 -38.2 22.5 -5.3 21 35 A V E +AC 8 189A 2 168,-1.8 168,-2.5 -2,-0.4 2,-0.3 -0.999 35.1 134.5-123.3 122.7 -36.7 19.6 -7.1 22 36 A T E -A 7 0A 4 -15,-2.2 -15,-2.9 -2,-0.5 2,-0.2 -0.988 45.4-114.0-163.4 162.4 -34.5 17.5 -4.9 23 37 A S E -A 6 0A 11 164,-0.4 2,-0.4 -2,-0.3 -17,-0.2 -0.656 14.4-151.7-104.1 158.6 -33.6 13.9 -3.8 24 38 A S E -A 5 0A 5 -19,-1.9 -19,-1.4 -2,-0.2 5,-0.1 -0.999 8.0-151.9-127.5 128.7 -34.1 12.1 -0.5 25 39 A T S S+ 0 0 56 -2,-0.4 112,-0.3 -21,-0.2 2,-0.2 0.822 81.1 27.2 -70.8 -29.4 -31.8 9.3 0.5 26 40 A T S S- 0 0 43 2,-0.4 -21,-0.3 -22,-0.1 107,-0.2 -0.602 101.5 -83.6-121.0-177.3 -34.4 7.5 2.6 27 41 A G S S+ 0 0 0 105,-2.9 93,-2.9 -2,-0.2 2,-1.1 0.472 98.9 102.4 -69.4 -1.2 -38.2 7.2 2.8 28 42 A D B +J 119 0B 65 104,-0.3 -2,-0.4 91,-0.2 91,-0.2 -0.754 45.9 171.9 -82.4 101.6 -38.2 10.5 4.7 29 43 A L + 0 0 0 89,-2.0 90,-0.2 -2,-1.1 -1,-0.1 0.163 28.4 135.5 -98.9 16.0 -39.3 12.8 1.8 30 44 A S - 0 0 15 88,-0.4 87,-0.2 87,-0.0 -2,-0.0 -0.270 40.3-165.0 -68.1 148.4 -39.8 15.8 4.1 31 45 A I B -K 116 0C 0 85,-2.6 85,-2.6 5,-0.0 2,-0.1 -0.927 19.1-148.5-126.2 106.7 -38.7 19.3 3.4 32 46 A P > - 0 0 58 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.435 24.4-115.5 -71.1 152.0 -38.8 21.3 6.7 33 47 A S G > S+ 0 0 59 81,-0.4 3,-1.9 1,-0.3 82,-0.1 0.753 111.8 73.7 -58.0 -23.7 -39.6 25.0 6.3 34 48 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.733 94.4 52.2 -63.4 -20.4 -36.1 25.7 7.7 35 49 A E G < S+ 0 0 18 -3,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.417 87.4 84.6 -94.4 0.7 -34.7 24.6 4.3 36 50 A L X + 0 0 2 -3,-1.9 3,-1.3 1,-0.2 -1,-0.2 -0.107 47.0 125.7 -99.4 38.4 -36.9 27.0 2.3 37 51 A E T 3 S+ 0 0 123 -3,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.836 71.2 52.3 -63.6 -35.1 -34.7 30.0 2.6 38 52 A N T 3 S+ 0 0 11 -3,-0.4 -1,-0.3 2,-0.1 155,-0.1 0.213 99.6 74.4 -93.1 15.6 -34.5 30.6 -1.2 39 53 A I S < S- 0 0 8 -3,-1.3 5,-0.1 157,-0.1 -20,-0.0 -0.994 90.8 -99.7-130.7 138.0 -38.2 30.5 -1.8 40 54 A P >> - 0 0 37 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.216 34.4-118.4 -52.5 135.5 -40.8 33.2 -1.0 41 55 A S G >4 S+ 0 0 74 1,-0.3 3,-1.0 2,-0.2 4,-0.1 0.818 114.3 54.8 -43.2 -40.5 -42.7 32.5 2.2 42 56 A E G >4 S+ 0 0 169 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.750 106.7 49.3 -72.5 -25.5 -46.0 32.4 0.2 43 57 A N G <4 S+ 0 0 53 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.445 88.0 86.1 -90.1 -1.2 -44.6 29.7 -2.2 44 58 A Q G << + 0 0 16 -3,-1.0 71,-3.3 -4,-0.7 2,-0.7 0.437 66.9 94.7 -78.4 0.3 -43.4 27.6 0.7 45 59 A Y B < -l 115 0D 92 -3,-0.5 2,-0.7 69,-0.2 69,-0.1 -0.851 67.3-156.9 -93.8 113.1 -46.9 26.1 0.9 46 60 A F + 0 0 1 -2,-0.7 -35,-0.3 69,-0.7 67,-0.1 -0.824 20.5 173.9 -97.5 116.3 -46.7 22.9 -1.1 47 61 A Q + 0 0 43 -37,-1.3 61,-3.8 -2,-0.7 2,-0.3 0.538 68.6 16.9 -97.3 -9.7 -50.1 21.6 -2.5 48 62 A S E +BD 10 107A 0 -38,-1.4 -38,-3.0 59,-0.3 2,-0.3 -0.990 59.3 179.8-154.9 161.5 -48.8 18.8 -4.6 49 63 A A E -BD 9 106A 0 57,-2.2 57,-2.6 -2,-0.3 2,-0.4 -0.982 10.9-157.8-158.0 154.0 -45.7 16.6 -5.1 50 64 A I E -BD 8 105A 8 -42,-2.1 -42,-2.5 -2,-0.3 2,-0.4 -0.997 9.3-170.9-135.4 132.7 -44.4 13.8 -7.2 51 65 A W E +BD 7 104A 0 53,-2.4 53,-2.4 -2,-0.4 2,-0.3 -0.955 8.6 176.7-120.4 146.4 -41.6 11.4 -6.3 52 66 A S E +BD 6 103A 13 -46,-2.2 -46,-2.7 -2,-0.4 2,-0.3 -0.989 22.2 95.1-147.4 154.4 -40.0 8.8 -8.7 53 67 A G E - D 0 102A 3 49,-1.7 49,-2.4 -2,-0.3 2,-0.3 -0.963 61.6 -68.7 165.3-149.3 -37.2 6.3 -8.7 54 68 A F E -ED 138 101A 3 84,-2.5 84,-2.6 -2,-0.3 2,-0.4 -0.950 25.1-147.3-134.5 155.8 -36.7 2.6 -8.0 55 69 A I E -ED 137 100A 2 45,-2.5 45,-2.8 -2,-0.3 2,-0.4 -0.979 12.2-173.9-119.1 138.2 -36.9 0.3 -5.1 56 70 A K E - D 0 99A 74 80,-2.1 2,-0.2 -2,-0.4 43,-0.2 -0.996 16.0-144.3-128.9 126.5 -34.7 -2.8 -4.8 57 71 A V - 0 0 4 41,-0.7 40,-1.7 38,-0.4 41,-0.2 -0.601 11.4-147.5 -94.1 152.2 -35.2 -5.2 -1.9 58 72 A K S S+ 0 0 110 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.648 88.5 27.2 -87.9 -18.6 -32.6 -7.1 0.0 59 73 A K S S- 0 0 127 36,-0.1 -1,-0.3 37,-0.0 35,-0.1 -0.979 85.6-113.9-144.3 133.0 -34.9 -10.1 0.6 60 74 A S + 0 0 33 -2,-0.3 2,-0.3 -3,-0.1 35,-0.2 -0.323 60.6 123.0 -58.4 145.3 -37.9 -11.4 -1.3 61 75 A D E -M 94 0E 23 33,-2.1 33,-3.0 31,-0.1 2,-0.5 -0.965 64.7 -81.6 176.8 175.0 -41.1 -11.0 0.7 62 76 A E E -M 93 0E 96 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.932 48.7-170.1-103.1 128.3 -44.5 -9.6 0.7 63 77 A Y E -M 92 0E 18 29,-2.8 29,-2.7 -2,-0.5 2,-0.5 -0.852 18.2-148.7-119.1 150.6 -44.6 -5.9 1.7 64 78 A T E -N 123 0F 18 59,-2.2 59,-2.3 -2,-0.3 2,-0.3 -0.983 18.6-147.3-115.9 132.3 -47.2 -3.4 2.5 65 79 A F E +N 122 0F 7 -2,-0.5 23,-0.4 25,-0.4 2,-0.3 -0.763 22.9 165.2 -99.0 145.6 -46.6 0.2 1.6 66 80 A A E -N 121 0F 11 55,-2.0 55,-3.8 -2,-0.3 2,-0.2 -0.986 15.2-158.9-153.2 154.0 -47.9 3.2 3.5 67 81 A T E > -N 120 0F 12 -2,-0.3 3,-0.6 53,-0.2 53,-0.2 -0.755 37.5-103.3-124.7 176.1 -47.2 6.9 3.8 68 82 A S T 3 S+ 0 0 55 51,-1.4 52,-0.1 -2,-0.2 49,-0.0 0.579 120.3 32.6 -69.3 -15.8 -47.8 9.7 6.3 69 83 A A T > + 0 0 15 50,-0.3 3,-2.7 1,-0.1 4,-0.3 -0.313 65.4 160.5-142.9 55.9 -50.8 10.9 4.2 70 84 A D G X S+ 0 0 16 -3,-0.6 3,-1.1 1,-0.3 15,-0.2 0.770 74.2 62.1 -57.3 -28.1 -52.5 8.0 2.6 71 85 A N G 3 S+ 0 0 116 1,-0.2 -1,-0.3 13,-0.1 15,-0.0 0.627 111.4 39.1 -71.2 -10.9 -55.7 9.9 2.0 72 86 A H G < S+ 0 0 68 -3,-2.7 35,-2.0 36,-0.0 2,-0.3 0.235 106.3 87.6-119.1 8.4 -53.8 12.3 -0.2 73 87 A V E < -F 106 0A 0 -3,-1.1 12,-3.4 -4,-0.3 2,-0.4 -0.859 45.3-174.1-121.0 143.7 -51.6 9.8 -2.0 74 88 A T E -FG 105 84A 11 31,-2.0 31,-2.9 -2,-0.3 2,-0.4 -0.993 18.4-171.9-126.9 131.2 -51.6 7.5 -5.0 75 89 A M E -FG 104 83A 0 8,-2.2 7,-2.9 -2,-0.4 8,-1.4 -0.985 7.3-163.6-127.7 132.6 -48.6 5.2 -5.3 76 90 A W E -FG 103 81A 14 27,-3.0 27,-2.1 -2,-0.4 2,-0.5 -0.928 4.8-165.8-111.7 135.7 -47.6 3.0 -8.2 77 91 A V E > S-FG 102 80A 1 3,-3.3 3,-2.4 -2,-0.4 25,-0.2 -0.983 83.2 -23.9-114.9 117.5 -45.1 0.1 -8.1 78 92 A D T 3 S- 0 0 67 23,-2.5 -1,-0.1 -2,-0.5 24,-0.1 0.912 129.0 -47.9 47.7 51.0 -44.2 -1.0 -11.6 79 93 A D T 3 S+ 0 0 93 1,-0.2 2,-0.5 22,-0.1 -1,-0.3 0.306 117.1 115.1 76.2 -8.7 -47.5 0.4 -13.0 80 94 A Q E < -G 77 0A 109 -3,-2.4 -3,-3.3 77,-0.0 2,-0.4 -0.818 68.0-126.3 -95.1 128.9 -49.5 -1.3 -10.3 81 95 A E E +G 76 0A 92 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.590 34.4 166.6 -70.4 124.4 -51.4 0.9 -7.8 82 96 A V E S+ 0 0 16 -7,-2.9 2,-0.4 -2,-0.4 8,-0.2 0.615 70.4 32.8-111.6 -21.8 -50.5 -0.0 -4.3 83 97 A I E +G 75 0A 0 -8,-1.4 -8,-2.2 4,-0.0 -1,-0.3 -0.993 60.0 177.4-133.7 130.6 -52.0 3.0 -2.5 84 98 A N E S-G 74 0A 79 2,-0.6 -10,-0.2 -2,-0.4 3,-0.1 -0.615 71.4 -58.2-134.8 74.5 -55.1 4.9 -3.7 85 99 A K S S+ 0 0 134 -12,-3.4 2,-0.3 -2,-0.2 -11,-0.1 0.533 119.7 70.1 74.3 3.9 -56.1 7.8 -1.4 86 100 A A S S- 0 0 40 -13,-0.2 -2,-0.6 -14,-0.0 -1,-0.1 -0.988 93.4 -88.3-148.2 156.3 -56.5 5.4 1.5 87 101 A S - 0 0 94 -2,-0.3 2,-0.5 -4,-0.1 -21,-0.1 -0.410 46.4-147.9 -64.2 139.3 -54.4 3.3 3.9 88 102 A N - 0 0 36 -23,-0.4 -1,-0.1 1,-0.1 -6,-0.0 -0.950 28.3-174.0-120.9 130.1 -53.8 -0.2 2.4 89 103 A S + 0 0 93 -2,-0.5 -1,-0.1 -25,-0.1 -23,-0.0 0.403 53.7 125.8 -91.2 -0.9 -53.3 -3.5 4.2 90 104 A N - 0 0 114 -8,-0.2 2,-0.4 -25,-0.1 -25,-0.4 -0.277 51.3-145.8 -63.6 142.3 -52.6 -5.0 0.8 91 105 A K - 0 0 109 -27,-0.1 2,-0.4 -29,-0.0 -27,-0.2 -0.939 9.5-164.1-116.0 131.2 -49.4 -7.0 0.4 92 106 A I E -M 63 0E 25 -29,-2.7 -29,-2.8 -2,-0.4 2,-0.5 -0.899 22.9-120.1-114.6 141.1 -47.3 -7.1 -2.8 93 107 A R E -M 62 0E 123 -2,-0.4 2,-0.4 -31,-0.2 -31,-0.2 -0.696 29.7-174.8 -85.2 126.3 -44.6 -9.7 -3.5 94 108 A L E -M 61 0E 1 -33,-3.0 -33,-2.1 -2,-0.5 2,-0.4 -0.983 13.6-143.6-123.4 130.5 -41.1 -8.3 -4.1 95 109 A E > - 0 0 65 -2,-0.4 3,-1.5 -35,-0.2 -38,-0.4 -0.771 26.0-105.0 -98.9 135.1 -38.2 -10.4 -5.2 96 110 A K T 3 S+ 0 0 128 -2,-0.4 -38,-0.2 1,-0.2 3,-0.1 -0.103 101.7 18.2 -50.0 147.3 -34.6 -9.8 -4.0 97 111 A G T 3 S+ 0 0 48 -40,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.508 98.7 117.2 68.8 5.7 -32.2 -8.3 -6.4 98 112 A R < - 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