==== 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 3TEX . COMPND 2 MOLECULE: PROTECTIVE ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.K.FELD,B.A.KRANTZ . 701 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 62.3 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 . 195 27.8 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 . 68 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 8.7 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+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 2 2 2 0 1 1 0 0 1 0 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 6 7 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 0 122 0, 0.0 24,-0.1 0, 0.0 432,-0.1 0.000 360.0 360.0 360.0 -49.6 -25.6 10.3 0.1 2 16 A S + 0 0 34 431,-0.2 2,-0.2 430,-0.1 431,-0.1 0.301 360.0 93.7 -96.1 6.5 -26.6 11.2 -3.4 3 17 A Q + 0 0 51 429,-0.1 2,-0.3 20,-0.1 135,-0.1 -0.564 50.2 71.3 -99.4 161.4 -28.8 8.1 -3.4 4 18 A G S S- 0 0 0 -2,-0.2 2,-0.3 133,-0.1 21,-0.2 -0.882 84.1 -26.8 134.2-165.5 -32.5 7.7 -2.5 5 19 A L E -A 24 0A 0 19,-1.5 19,-1.9 21,-0.3 2,-0.5 -0.620 56.5-125.3 -82.3 146.6 -35.9 8.7 -4.0 6 20 A L E -AB 23 52A 0 46,-2.7 46,-1.9 -2,-0.3 2,-0.4 -0.800 30.3-160.5 -92.2 126.3 -36.3 11.7 -6.3 7 21 A G E -AB 22 51A 0 15,-3.3 15,-2.3 -2,-0.5 2,-0.5 -0.893 17.6-166.6-116.9 136.9 -38.9 14.2 -5.2 8 22 A Y E -AB 21 50A 8 42,-2.6 42,-2.2 -2,-0.4 2,-0.5 -0.985 12.1-165.7-115.6 120.3 -40.8 16.9 -7.0 9 23 A Y E -AB 20 49A 0 11,-2.8 10,-3.2 -2,-0.5 11,-1.7 -0.934 7.7-163.6-112.6 122.8 -42.7 19.3 -4.7 10 24 A F E -AB 18 48A 0 38,-2.9 38,-1.5 -2,-0.5 37,-1.4 -0.820 24.6-151.0-112.6 143.5 -45.3 21.6 -6.2 11 25 A S S S+ 0 0 21 6,-2.2 -1,-0.1 -2,-0.3 2,-0.1 0.814 84.7 65.7 -77.4 -30.4 -47.0 24.7 -5.0 12 26 A D S S- 0 0 33 5,-0.3 3,-0.4 34,-0.1 35,-0.3 -0.309 90.1-117.0 -85.8 175.5 -50.1 24.0 -7.0 13 27 A L S S+ 0 0 40 1,-0.2 36,-0.1 34,-0.1 -1,-0.1 0.661 103.2 53.3 -85.3 -17.8 -52.5 21.1 -6.5 14 28 A N S S- 0 0 93 34,-0.1 -1,-0.2 93,-0.1 93,-0.1 -0.121 109.8-100.0-123.4 38.0 -51.9 19.4 -9.9 15 29 A F S S+ 0 0 24 -3,-0.4 -2,-0.1 1,-0.1 92,-0.0 0.779 90.5 110.4 61.1 32.1 -48.2 18.8 -10.4 16 30 A Q + 0 0 141 1,-0.2 -1,-0.1 145,-0.1 156,-0.1 0.666 66.6 51.0-110.9 -24.2 -47.7 21.9 -12.7 17 31 A A S S- 0 0 31 155,-0.0 -6,-2.2 -5,-0.0 -5,-0.3 -0.678 70.7-164.3-120.9 78.5 -45.6 24.3 -10.6 18 32 A P E +A 10 0A 7 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.449 15.2 172.2 -69.2 127.1 -42.5 22.6 -9.2 19 33 A M E + 0 0 21 -10,-3.2 2,-0.4 1,-0.3 -9,-0.2 0.739 67.9 22.4-102.5 -35.5 -40.8 24.6 -6.4 20 34 A V E -A 9 0A 0 -11,-1.7 -11,-2.8 170,-0.1 2,-0.4 -1.000 53.7-174.1-136.5 136.5 -38.3 22.0 -5.3 21 35 A V E +AC 8 189A 2 168,-1.7 168,-2.5 -2,-0.4 2,-0.3 -0.996 34.5 133.1-122.4 123.4 -36.7 19.0 -6.9 22 36 A T E -A 7 0A 3 -15,-2.3 -15,-3.3 -2,-0.4 2,-0.3 -0.985 45.7-116.3-163.4 165.5 -34.5 17.0 -4.6 23 37 A S E -A 6 0A 13 164,-0.4 2,-0.4 -2,-0.3 -17,-0.2 -0.787 15.6-149.7-112.1 152.2 -33.6 13.5 -3.4 24 38 A S E -A 5 0A 4 -19,-1.9 -19,-1.5 -2,-0.3 5,-0.1 -0.988 9.4-147.8-119.4 135.6 -34.0 11.9 0.1 25 39 A T S S+ 0 0 55 -2,-0.4 112,-0.3 -21,-0.2 2,-0.2 0.871 81.6 25.5 -67.9 -36.6 -31.7 9.2 1.3 26 40 A T S S- 0 0 42 2,-0.4 -21,-0.3 -22,-0.1 107,-0.2 -0.516 101.2 -81.8-117.2-175.3 -34.3 7.4 3.4 27 41 A G S S+ 0 0 0 105,-3.1 93,-2.3 -2,-0.2 2,-1.1 0.568 99.0 102.9 -65.7 -9.4 -38.1 7.0 3.5 28 42 A D B +J 119 0B 61 104,-0.3 -2,-0.4 91,-0.2 91,-0.2 -0.675 46.0 173.0 -75.6 101.9 -38.2 10.4 5.2 29 43 A L + 0 0 0 89,-1.8 90,-0.2 -2,-1.1 -1,-0.2 0.158 29.0 135.8 -98.1 18.7 -39.3 12.5 2.3 30 44 A S - 0 0 17 88,-0.3 87,-0.2 87,-0.1 85,-0.0 -0.295 38.5-168.0 -72.2 147.7 -39.8 15.6 4.4 31 45 A I B -K 116 0C 0 85,-2.7 85,-2.7 -2,-0.0 2,-0.1 -0.919 18.3-149.4-127.6 108.0 -38.7 19.2 3.6 32 46 A P > - 0 0 60 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.474 24.0-118.7 -72.2 148.5 -39.0 21.4 6.7 33 47 A S G > S+ 0 0 54 81,-0.5 3,-2.0 1,-0.3 82,-0.1 0.760 111.0 75.2 -57.7 -24.3 -39.7 25.1 6.1 34 48 A S G 3 S+ 0 0 95 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.812 95.0 49.6 -54.9 -31.2 -36.4 25.8 7.7 35 49 A E G < S+ 0 0 50 -3,-2.2 3,-0.4 1,-0.2 -1,-0.3 0.420 90.7 84.1 -89.9 1.8 -34.8 24.6 4.5 36 50 A L X + 0 0 2 -3,-2.0 3,-1.1 1,-0.2 -1,-0.2 -0.167 44.3 123.9-102.8 41.0 -36.9 26.8 2.2 37 51 A E T 3 S+ 0 0 136 -3,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.873 70.6 58.7 -65.6 -37.8 -34.9 30.0 2.4 38 52 A N T 3 S+ 0 0 12 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.173 99.0 72.4 -81.9 19.6 -34.5 30.2 -1.4 39 53 A I S < S- 0 0 11 -3,-1.1 5,-0.1 157,-0.1 -20,-0.0 -0.999 91.0 -97.6-138.9 139.0 -38.3 30.2 -2.0 40 54 A P >> - 0 0 37 0, 0.0 3,-2.7 0, 0.0 4,-0.7 -0.227 34.1-122.4 -51.1 132.4 -41.1 32.8 -1.5 41 55 A S G >4 S+ 0 0 78 1,-0.3 3,-0.9 2,-0.2 4,-0.1 0.824 113.8 53.3 -46.7 -38.8 -43.0 32.3 1.8 42 56 A E G 34 S+ 0 0 174 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.633 107.2 51.7 -76.6 -13.7 -46.2 32.0 -0.2 43 57 A N G <4 S+ 0 0 54 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.462 85.6 85.5 -97.6 -3.4 -44.7 29.3 -2.4 44 58 A Q << + 0 0 13 -3,-0.9 71,-3.2 -4,-0.7 2,-0.9 0.492 66.9 96.2 -74.6 -2.5 -43.6 27.3 0.6 45 59 A Y B -l 115 0D 89 -3,-0.3 2,-0.7 69,-0.2 69,-0.1 -0.798 65.5-158.9 -91.3 107.1 -47.0 25.7 0.7 46 60 A F + 0 0 2 -2,-0.9 -35,-0.3 69,-0.6 67,-0.1 -0.768 18.5 175.0 -90.8 117.3 -46.8 22.4 -1.2 47 61 A Q + 0 0 45 -37,-1.4 61,-2.9 -2,-0.7 2,-0.3 0.585 68.2 17.5 -96.9 -13.1 -50.1 21.2 -2.5 48 62 A S E -BD 10 107A 0 -38,-1.5 -38,-2.9 59,-0.2 2,-0.3 -0.986 60.0-178.3-152.9 161.8 -48.8 18.2 -4.4 49 63 A A E -BD 9 106A 0 57,-2.2 57,-2.7 -2,-0.3 2,-0.4 -0.984 9.8-158.2-157.2 151.7 -45.7 16.0 -4.7 50 64 A I E -BD 8 105A 7 -42,-2.2 -42,-2.6 -2,-0.3 2,-0.4 -0.997 8.3-169.2-135.9 132.7 -44.4 13.1 -6.7 51 65 A W E +BD 7 104A 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.3 -0.929 8.3 177.4-118.5 146.3 -41.6 10.7 -5.8 52 66 A S E +BD 6 103A 12 -46,-1.9 -46,-2.7 -2,-0.4 2,-0.3 -0.985 24.2 90.4-145.1 155.5 -39.9 8.1 -8.0 53 67 A G E - D 0 102A 4 49,-1.6 49,-2.6 -2,-0.3 2,-0.3 -0.982 62.0 -68.5 159.9-150.4 -37.1 5.6 -7.8 54 68 A F E -ED 138 101A 4 84,-2.2 84,-2.4 -2,-0.3 2,-0.4 -0.964 24.1-141.7-137.7 155.4 -36.6 1.9 -6.9 55 69 A I E -ED 137 100A 1 45,-2.8 45,-2.5 -2,-0.3 2,-0.4 -0.964 14.1-170.7-117.2 135.8 -36.8 -0.3 -3.9 56 70 A K E - D 0 99A 83 80,-2.1 2,-0.4 -2,-0.4 43,-0.1 -0.996 12.3-149.1-125.3 124.1 -34.3 -3.1 -3.4 57 71 A V - 0 0 3 41,-0.7 40,-1.4 -2,-0.4 41,-0.2 -0.784 12.0-156.6-102.5 140.0 -34.9 -5.6 -0.6 58 72 A K S S+ 0 0 105 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.671 85.0 32.6 -82.1 -19.7 -32.2 -7.4 1.4 59 73 A K S S- 0 0 128 36,-0.1 -1,-0.2 37,-0.0 35,-0.1 -0.976 86.5-115.7-144.6 124.6 -34.5 -10.3 2.4 60 74 A S + 0 0 41 -2,-0.4 2,-0.3 -3,-0.1 35,-0.2 -0.290 59.2 124.3 -56.2 139.4 -37.4 -11.8 0.6 61 75 A D E -M 94 0E 16 33,-2.0 33,-2.5 31,-0.1 2,-0.6 -0.978 64.0 -82.1-179.1 173.2 -40.7 -11.3 2.5 62 76 A E E -M 93 0E 94 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.903 49.6-169.3 -99.3 123.2 -44.2 -9.9 2.4 63 77 A Y E -M 92 0E 16 29,-2.7 29,-2.8 -2,-0.6 2,-0.5 -0.855 18.2-153.8-116.9 147.2 -44.3 -6.2 2.9 64 78 A T E -N 123 0F 21 59,-2.3 59,-2.4 -2,-0.3 2,-0.3 -0.982 17.4-149.7-114.8 131.9 -47.0 -3.6 3.6 65 79 A F E +N 122 0F 4 -2,-0.5 2,-0.3 25,-0.4 23,-0.3 -0.748 21.8 163.8 -99.4 148.0 -46.4 -0.0 2.6 66 80 A A E -N 121 0F 13 55,-2.1 55,-3.8 -2,-0.3 2,-0.2 -0.980 15.5-157.1-155.3 157.2 -47.8 3.0 4.3 67 81 A T E > -N 120 0F 12 -2,-0.3 3,-0.7 53,-0.2 53,-0.2 -0.727 39.4 -96.7-126.0 176.8 -47.2 6.8 4.4 68 82 A S T 3 S+ 0 0 56 51,-1.5 52,-0.1 -2,-0.2 3,-0.1 0.524 122.1 28.7 -64.8 -12.6 -47.8 9.7 6.7 69 83 A A T > + 0 0 13 50,-0.3 3,-2.7 1,-0.1 -1,-0.2 -0.236 62.8 162.6-152.4 56.3 -50.9 10.5 4.6 70 84 A D G X S+ 0 0 16 -3,-0.7 3,-1.0 1,-0.3 16,-0.5 0.742 78.1 62.1 -53.4 -26.4 -52.5 7.5 3.0 71 85 A N G 3 S+ 0 0 113 1,-0.2 -1,-0.3 14,-0.2 -2,-0.0 0.710 110.7 38.3 -72.6 -19.4 -55.7 9.4 2.5 72 86 A H G < S+ 0 0 59 -3,-2.7 35,-2.0 36,-0.0 2,-0.3 0.074 108.1 88.1-114.8 21.0 -53.9 11.9 0.2 73 87 A V E < -F 106 0A 0 -3,-1.0 12,-3.5 33,-0.2 2,-0.4 -0.913 46.2-173.0-129.8 145.1 -51.7 9.3 -1.5 74 88 A T E -FG 105 84A 6 31,-2.1 31,-2.9 -2,-0.3 2,-0.4 -0.987 19.5-173.2-129.0 128.2 -51.5 6.9 -4.4 75 89 A M E -FG 104 83A 0 8,-2.0 7,-2.8 -2,-0.4 8,-1.3 -0.975 7.0-162.4-126.0 136.6 -48.5 4.6 -4.6 76 90 A W E -FG 103 81A 10 27,-2.9 27,-1.8 -2,-0.4 2,-0.5 -0.939 6.5-166.5-115.8 137.4 -47.5 2.2 -7.3 77 91 A V E > S-FG 102 80A 2 3,-3.1 3,-1.6 -2,-0.4 25,-0.2 -0.951 82.7 -26.8-120.0 110.5 -45.0 -0.7 -7.1 78 92 A D T 3 S- 0 0 55 23,-1.7 -1,-0.1 -2,-0.5 24,-0.1 0.957 128.9 -43.7 47.0 61.1 -44.1 -1.9 -10.6 79 93 A D T 3 S+ 0 0 100 1,-0.2 2,-0.6 78,-0.1 -1,-0.3 0.275 117.8 115.1 75.6 -12.5 -47.4 -0.7 -12.2 80 94 A Q E < -G 77 0A 107 -3,-1.6 -3,-3.1 77,-0.0 2,-0.3 -0.812 65.9-131.8 -97.4 120.5 -49.4 -2.1 -9.3 81 95 A E E +G 76 0A 89 -2,-0.6 -5,-0.3 -5,-0.3 3,-0.1 -0.512 31.8 167.0 -64.5 127.7 -51.3 0.3 -7.0 82 96 A V E + 0 0 17 -7,-2.8 2,-0.3 1,-0.3 8,-0.2 0.490 69.7 36.6-119.1 -13.8 -50.5 -0.6 -3.4 83 97 A I E +G 75 0A 0 -8,-1.3 -8,-2.0 -17,-0.0 -1,-0.3 -0.983 61.7 178.9-140.1 131.5 -52.0 2.5 -1.8 84 98 A N E S-G 74 0A 97 2,-0.8 -10,-0.2 -2,-0.3 -13,-0.1 -0.627 70.1 -63.2-138.3 74.9 -55.1 4.2 -3.1 85 99 A K S S+ 0 0 107 -12,-3.5 2,-0.3 -2,-0.3 -14,-0.2 0.820 120.8 76.4 48.0 33.9 -56.2 7.3 -1.1 86 100 A A S S- 0 0 43 -16,-0.5 -2,-0.8 -13,-0.3 -1,-0.1 -0.916 82.7-112.9-167.0 142.3 -56.7 4.9 1.8 87 101 A S + 0 0 89 -2,-0.3 2,-0.3 -4,-0.1 -21,-0.1 -0.319 44.0 164.5 -68.5 159.8 -54.6 3.0 4.4 88 102 A N - 0 0 50 -23,-0.3 -18,-0.0 2,-0.1 -6,-0.0 -0.944 46.5-127.9-161.9-173.8 -54.5 -0.8 4.2 89 103 A S + 0 0 82 -2,-0.3 2,-0.5 2,-0.1 -23,-0.1 0.156 52.2 144.8-128.7 11.4 -52.8 -4.0 5.2 90 104 A N - 0 0 112 -8,-0.2 2,-0.4 -25,-0.1 -25,-0.4 -0.417 40.1-146.2 -64.5 110.6 -52.4 -5.5 1.8 91 105 A K - 0 0 118 -2,-0.5 2,-0.4 -27,-0.1 -27,-0.2 -0.655 10.2-161.8 -82.7 125.4 -49.1 -7.4 1.7 92 106 A I E -M 63 0E 19 -29,-2.8 -29,-2.7 -2,-0.4 2,-0.5 -0.858 21.7-120.1-104.2 143.0 -47.1 -7.4 -1.6 93 107 A R E -M 62 0E 120 -2,-0.4 2,-0.4 -31,-0.2 -31,-0.2 -0.719 30.5-176.6 -89.0 125.4 -44.4 -10.1 -2.1 94 108 A L E -M 61 0E 0 -33,-2.5 -33,-2.0 -2,-0.5 2,-0.3 -0.976 11.2-150.1-125.8 124.1 -40.9 -8.8 -2.7 95 109 A E > - 0 0 93 -2,-0.4 3,-1.4 -35,-0.2 -38,-0.4 -0.730 27.7 -98.4 -99.4 142.2 -37.9 -11.1 -3.5 96 110 A K T 3 S+ 0 0 136 -2,-0.3 -38,-0.2 1,-0.2 -1,-0.1 -0.039 102.2 16.3 -49.0 148.9 -34.3 -10.4 -2.6 97 111 A G T 3 S+ 0 0 61 -40,-1.4 -1,-0.2 1,-0.2 2,-0.2 0.164 97.4 116.0 76.1 -19.5 -31.9 -8.9 -5.1 98 112 A R < - 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