==== 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 3TEZ . COMPND 2 MOLECULE: PROTECTIVE ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.K.FELD,B.A.KRANTZ . 700 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 63.4 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 27.9 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 . 72 10.3 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 . 62 8.9 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 1 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 0 119 0, 0.0 24,-0.1 0, 0.0 432,-0.1 0.000 360.0 360.0 360.0 138.1 -24.8 10.4 -0.3 2 16 A S + 0 0 34 431,-0.2 2,-0.1 430,-0.1 431,-0.1 0.343 360.0 101.2 -95.0 5.1 -26.4 11.2 -3.6 3 17 A Q + 0 0 24 429,-0.1 2,-0.3 430,-0.1 135,-0.1 -0.432 43.6 69.9 -91.7 163.7 -28.7 8.1 -3.5 4 18 A G S S- 0 0 0 133,-0.1 2,-0.2 -2,-0.1 21,-0.2 -0.862 83.8 -28.7 132.5-164.4 -32.4 7.7 -2.5 5 19 A L E -A 24 0A 0 19,-1.8 19,-2.0 21,-0.3 2,-0.6 -0.626 56.9-124.0 -84.8 148.1 -35.8 8.6 -4.0 6 20 A L E -AB 23 52A 0 46,-2.8 46,-1.7 -2,-0.2 2,-0.4 -0.817 29.6-161.8 -94.8 123.4 -36.2 11.7 -6.3 7 21 A G E -AB 22 51A 0 15,-3.3 15,-2.2 -2,-0.6 2,-0.5 -0.869 16.4-166.1-114.5 136.9 -38.9 14.2 -5.2 8 22 A Y E -AB 21 50A 8 42,-2.8 42,-2.2 -2,-0.4 2,-0.5 -0.986 12.7-165.1-113.3 124.3 -40.7 17.0 -6.9 9 23 A Y E -AB 20 49A 0 11,-2.8 10,-3.2 -2,-0.5 11,-1.7 -0.958 7.2-166.2-117.8 121.7 -42.5 19.4 -4.6 10 24 A F E -AB 18 48A 0 38,-2.8 38,-1.6 -2,-0.5 37,-1.3 -0.856 26.1-149.8-114.4 143.9 -45.1 21.7 -6.1 11 25 A S S S+ 0 0 18 6,-1.9 2,-0.1 -2,-0.4 -1,-0.1 0.767 85.2 65.3 -77.4 -26.9 -46.9 24.8 -4.8 12 26 A D S S- 0 0 33 5,-0.4 3,-0.5 34,-0.1 35,-0.3 -0.400 88.0-119.2 -92.6 174.2 -50.0 24.0 -6.8 13 27 A L S S+ 0 0 42 1,-0.2 36,-0.1 -2,-0.1 -1,-0.1 0.665 102.5 55.3 -86.9 -17.4 -52.4 21.1 -6.5 14 28 A N S S- 0 0 87 34,-0.1 -1,-0.2 93,-0.1 93,-0.1 -0.066 109.6-102.9-118.2 33.2 -51.8 19.6 -10.0 15 29 A F S S+ 0 0 31 -3,-0.5 -2,-0.1 2,-0.1 92,-0.0 0.782 89.3 111.4 60.4 34.9 -48.1 19.0 -10.4 16 30 A Q + 0 0 135 1,-0.2 -1,-0.1 145,-0.1 156,-0.1 0.675 64.8 53.3-111.4 -27.5 -47.5 22.1 -12.6 17 31 A A S S- 0 0 31 155,-0.0 -6,-1.9 -5,-0.0 -5,-0.4 -0.695 70.4-163.9-118.3 78.7 -45.4 24.5 -10.5 18 32 A P E +A 10 0A 7 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.446 16.0 171.1 -67.2 125.3 -42.3 22.7 -9.1 19 33 A M E + 0 0 18 -10,-3.2 2,-0.4 1,-0.3 -9,-0.2 0.774 67.8 20.6 -99.9 -39.0 -40.7 24.6 -6.3 20 34 A V E -A 9 0A 0 -11,-1.7 -11,-2.8 170,-0.1 2,-0.4 -0.996 53.2-174.7-135.2 138.7 -38.2 22.0 -5.2 21 35 A V E +AC 8 189A 1 168,-1.4 168,-2.2 -2,-0.4 2,-0.3 -0.989 34.6 131.8-126.7 121.6 -36.6 19.1 -6.8 22 36 A T E -A 7 0A 3 -15,-2.2 -15,-3.3 -2,-0.4 2,-0.3 -0.980 46.3-112.3-162.3 167.9 -34.3 17.0 -4.5 23 37 A S E -A 6 0A 15 164,-0.3 2,-0.4 -2,-0.3 -17,-0.2 -0.727 15.1-150.1-110.5 158.0 -33.5 13.5 -3.4 24 38 A S E -A 5 0A 3 -19,-2.0 -19,-1.8 -2,-0.3 5,-0.1 -0.997 8.2-150.3-127.1 128.8 -34.0 11.8 0.0 25 39 A T S S+ 0 0 60 -2,-0.4 112,-0.3 -21,-0.2 2,-0.2 0.840 80.9 24.5 -66.3 -34.3 -31.7 9.0 1.2 26 40 A T S S- 0 0 44 2,-0.4 -21,-0.3 -22,-0.1 107,-0.2 -0.547 101.4 -80.9-120.0-173.8 -34.4 7.3 3.3 27 41 A G S S+ 0 0 0 105,-3.0 93,-2.1 -2,-0.2 2,-1.2 0.609 99.4 101.5 -66.8 -12.5 -38.1 7.0 3.5 28 42 A D B +J 119 0B 63 104,-0.3 -2,-0.4 91,-0.2 91,-0.2 -0.645 46.4 172.7 -73.2 100.0 -38.2 10.3 5.3 29 43 A L + 0 0 0 89,-1.9 90,-0.2 -2,-1.2 -1,-0.2 0.174 28.7 136.3 -97.5 18.5 -39.3 12.5 2.3 30 44 A S - 0 0 18 88,-0.4 87,-0.2 87,-0.0 85,-0.0 -0.263 38.3-168.1 -71.0 149.0 -39.7 15.6 4.5 31 45 A I B -K 116 0C 0 85,-2.7 85,-2.6 5,-0.0 2,-0.1 -0.904 18.4-149.9-129.8 106.5 -38.6 19.1 3.7 32 46 A P > - 0 0 61 0, 0.0 3,-2.3 0, 0.0 83,-0.2 -0.435 24.8-116.4 -73.4 152.0 -38.9 21.3 6.8 33 47 A S G > S+ 0 0 51 81,-0.5 3,-1.7 1,-0.3 82,-0.1 0.727 111.8 74.0 -60.1 -21.4 -39.6 25.0 6.2 34 48 A S G 3 S+ 0 0 90 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.731 94.3 52.7 -62.2 -21.2 -36.2 25.7 7.8 35 49 A E G < S+ 0 0 45 -3,-2.3 3,-0.3 1,-0.2 -1,-0.3 0.401 92.0 80.0 -93.8 3.1 -34.7 24.5 4.5 36 50 A L X + 0 0 2 -3,-1.7 3,-1.1 1,-0.2 -1,-0.2 -0.145 44.8 121.4-109.2 38.5 -36.8 26.8 2.3 37 51 A E T 3 S+ 0 0 127 -3,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.812 71.6 61.3 -69.7 -29.7 -35.0 30.2 2.5 38 52 A N T 3 S+ 0 0 11 -3,-0.3 -1,-0.2 2,-0.1 158,-0.1 0.162 99.3 68.7 -83.8 19.1 -34.4 30.3 -1.3 39 53 A I S < S- 0 0 7 -3,-1.1 5,-0.1 157,-0.1 -20,-0.0 -0.996 92.2 -99.4-141.6 136.4 -38.2 30.3 -1.9 40 54 A P >> - 0 0 46 0, 0.0 3,-0.7 0, 0.0 4,-0.6 -0.073 34.3-118.4 -47.6 146.6 -40.9 32.9 -1.2 41 55 A S G >4 S+ 0 0 72 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.893 113.6 53.7 -57.7 -42.8 -42.9 32.3 1.9 42 56 A E G >4 S+ 0 0 170 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.761 108.2 51.3 -67.0 -24.3 -46.2 32.0 -0.0 43 57 A N G <4 S+ 0 0 53 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.522 85.8 83.9 -89.9 -6.0 -44.6 29.3 -2.2 44 58 A Q G << + 0 0 10 -3,-1.3 71,-3.4 -4,-0.6 2,-0.7 0.492 69.6 97.3 -73.4 -1.7 -43.4 27.3 0.8 45 59 A Y B < -l 115 0D 88 -3,-0.6 2,-0.7 69,-0.2 69,-0.1 -0.814 65.1-159.2 -89.6 113.8 -46.9 25.7 0.8 46 60 A F + 0 0 1 -2,-0.7 -35,-0.3 69,-0.6 -34,-0.1 -0.845 20.2 171.8-100.6 113.2 -46.7 22.4 -1.1 47 61 A Q + 0 0 41 -37,-1.3 61,-3.0 -2,-0.7 2,-0.3 0.611 69.0 19.1 -95.0 -15.2 -50.0 21.2 -2.4 48 62 A S E +BD 10 107A 0 -38,-1.6 -38,-2.8 59,-0.2 2,-0.3 -0.983 60.3 178.7-150.3 162.7 -48.7 18.3 -4.4 49 63 A A E -BD 9 106A 0 57,-2.0 57,-2.2 -2,-0.3 2,-0.4 -0.979 11.0-157.1-160.4 151.2 -45.6 16.1 -4.8 50 64 A I E -BD 8 105A 6 -42,-2.2 -42,-2.8 -2,-0.3 2,-0.4 -0.995 8.2-170.6-136.1 132.1 -44.3 13.2 -6.8 51 65 A W E +BD 7 104A 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.3 -0.927 9.1 174.8-118.2 148.6 -41.5 10.8 -5.8 52 66 A S E +BD 6 103A 10 -46,-1.7 -46,-2.8 -2,-0.4 2,-0.3 -0.990 22.0 93.4-150.0 157.4 -39.9 8.2 -8.0 53 67 A G E - D 0 102A 3 49,-1.6 49,-2.7 -2,-0.3 2,-0.3 -0.976 61.6 -67.9 158.6-153.1 -37.1 5.6 -7.9 54 68 A F E -ED 138 101A 2 84,-2.1 84,-2.2 -2,-0.3 2,-0.4 -0.925 25.4-141.2-133.3 157.7 -36.6 2.0 -7.2 55 69 A I E -ED 137 100A 1 45,-2.5 45,-2.2 -2,-0.3 2,-0.5 -0.987 13.6-170.4-119.7 132.5 -36.7 -0.3 -4.1 56 70 A K E - D 0 99A 95 80,-2.0 2,-0.4 -2,-0.4 43,-0.1 -0.990 11.0-153.5-120.1 125.5 -34.2 -3.1 -3.6 57 71 A V - 0 0 5 41,-0.7 40,-1.7 -2,-0.5 41,-0.2 -0.808 15.3-157.4-104.4 142.7 -34.9 -5.6 -0.8 58 72 A K S S+ 0 0 101 -2,-0.4 2,-0.3 1,-0.2 38,-0.1 0.488 84.9 40.6 -88.5 -5.2 -32.3 -7.6 1.0 59 73 A K S S- 0 0 131 36,-0.1 -1,-0.2 2,-0.0 35,-0.1 -0.893 83.0-123.5-152.1 112.9 -34.8 -10.3 2.0 60 74 A S + 0 0 35 -2,-0.3 2,-0.3 -3,-0.1 35,-0.2 -0.264 57.6 121.3 -52.9 137.2 -37.7 -11.8 0.1 61 75 A D E -M 94 0E 16 33,-2.1 33,-3.0 63,-0.1 2,-0.6 -0.971 66.5 -81.8-179.4 174.1 -40.9 -11.3 2.0 62 76 A E E -M 93 0E 89 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.916 49.1-168.3-100.3 120.4 -44.4 -9.9 1.9 63 77 A Y E -M 92 0E 15 29,-2.7 29,-2.1 -2,-0.6 2,-0.5 -0.808 15.9-149.8-110.9 147.4 -44.4 -6.2 2.6 64 78 A T E -N 123 0F 19 59,-2.4 59,-2.3 -2,-0.3 2,-0.3 -0.974 18.3-147.3-113.0 133.5 -47.1 -3.7 3.4 65 79 A F E +N 122 0F 5 25,-0.5 23,-0.4 -2,-0.5 2,-0.3 -0.709 23.3 161.1-101.1 150.3 -46.6 -0.1 2.4 66 80 A A E -N 121 0F 12 55,-1.9 55,-3.6 -2,-0.3 2,-0.2 -0.981 15.6-158.9-161.2 158.1 -47.8 3.0 4.1 67 81 A T E > -N 120 0F 12 -2,-0.3 3,-0.7 53,-0.2 53,-0.2 -0.770 40.0 -96.1-132.0 174.3 -47.1 6.8 4.4 68 82 A S T 3 S+ 0 0 55 51,-1.5 52,-0.1 -2,-0.2 3,-0.1 0.628 121.8 26.5 -61.1 -20.7 -47.7 9.8 6.6 69 83 A A T > + 0 0 19 50,-0.3 3,-2.6 1,-0.1 -1,-0.2 -0.324 63.7 162.7-148.7 58.9 -50.8 10.7 4.6 70 84 A D G X S+ 0 0 14 -3,-0.7 3,-1.0 1,-0.3 16,-0.4 0.750 77.0 64.0 -54.9 -27.3 -52.4 7.6 2.9 71 85 A N G 3 S+ 0 0 111 1,-0.2 -1,-0.3 14,-0.2 -2,-0.0 0.698 110.4 37.6 -70.2 -17.8 -55.6 9.6 2.4 72 86 A H G < S+ 0 0 71 -3,-2.6 35,-1.8 36,-0.0 2,-0.4 0.201 107.7 90.0-113.9 13.2 -53.8 12.0 0.1 73 87 A V E < -F 106 0A 0 -3,-1.0 12,-3.8 -4,-0.2 2,-0.4 -0.881 45.5-174.0-123.3 140.2 -51.6 9.4 -1.5 74 88 A T E -FG 105 84A 6 31,-2.0 31,-2.8 -2,-0.4 2,-0.4 -0.993 20.1-172.6-123.9 127.5 -51.5 7.1 -4.5 75 89 A M E -FG 104 83A 0 8,-2.4 7,-2.9 -2,-0.4 8,-1.4 -0.957 7.5-164.5-124.3 137.5 -48.6 4.7 -4.7 76 90 A W E -FG 103 81A 12 27,-2.8 27,-1.9 -2,-0.4 2,-0.5 -0.966 8.2-167.7-120.4 133.9 -47.5 2.3 -7.5 77 91 A V E > S-FG 102 80A 1 3,-3.1 3,-1.5 -2,-0.4 25,-0.2 -0.970 84.7 -23.9-115.1 112.2 -45.0 -0.5 -7.3 78 92 A D T 3 S- 0 0 58 23,-1.5 -1,-0.2 -2,-0.5 24,-0.1 0.958 128.3 -45.6 47.3 63.6 -44.2 -1.6 -10.9 79 93 A D T 3 S+ 0 0 108 1,-0.2 2,-0.6 78,-0.1 -1,-0.3 0.365 117.8 115.1 70.5 -9.0 -47.4 -0.3 -12.4 80 94 A Q E < -G 77 0A 103 -3,-1.5 -3,-3.1 77,-0.0 2,-0.3 -0.852 66.6-131.6 -99.9 119.8 -49.4 -1.9 -9.5 81 95 A E E +G 76 0A 92 -2,-0.6 -5,-0.3 -5,-0.3 3,-0.1 -0.504 30.8 168.7 -64.8 127.2 -51.3 0.5 -7.2 82 96 A V E S+ 0 0 18 -7,-2.9 2,-0.3 1,-0.3 8,-0.2 0.524 70.7 31.0-114.6 -15.1 -50.5 -0.4 -3.5 83 97 A I E +G 75 0A 1 -8,-1.4 -8,-2.4 4,-0.1 -1,-0.3 -0.979 58.1 174.1-142.3 130.9 -52.1 2.7 -2.0 84 98 A N E S-G 74 0A 83 2,-0.6 -10,-0.2 -2,-0.3 -13,-0.1 -0.736 74.2 -56.1-138.8 92.0 -55.0 4.7 -3.3 85 99 A K S S+ 0 0 107 -12,-3.8 2,-0.3 -2,-0.3 -14,-0.2 0.723 120.2 81.5 49.2 25.6 -56.2 7.5 -1.0 86 100 A A S S- 0 0 48 -13,-0.4 -2,-0.6 -16,-0.4 2,-0.1 -0.952 79.7-120.1-157.0 137.1 -56.7 4.9 1.8 87 101 A S + 0 0 86 -2,-0.3 2,-0.3 -4,-0.1 -21,-0.1 -0.465 43.8 168.6 -68.0 148.2 -54.5 3.2 4.3 88 102 A N - 0 0 47 -23,-0.4 -18,-0.0 -2,-0.1 -6,-0.0 -0.918 45.0-133.9-151.1 179.2 -54.5 -0.6 3.9 89 103 A S + 0 0 89 -2,-0.3 2,-0.2 -25,-0.1 -23,-0.1 0.085 50.1 146.3-125.9 18.4 -52.8 -3.8 4.9 90 104 A N - 0 0 115 -8,-0.2 2,-0.7 -25,-0.1 -25,-0.5 -0.425 41.1-142.8 -60.9 122.2 -52.5 -5.4 1.5 91 105 A K - 0 0 130 -2,-0.2 2,-0.3 -27,-0.1 -27,-0.2 -0.807 13.8-165.6 -99.7 111.6 -49.3 -7.4 1.4 92 106 A I E -M 63 0E 24 -29,-2.1 -29,-2.7 -2,-0.7 2,-0.5 -0.731 22.6-121.5 -93.7 143.3 -47.3 -7.4 -1.9 93 107 A R E -M 62 0E 128 -2,-0.3 2,-0.4 -31,-0.2 -31,-0.2 -0.741 27.7-170.5 -91.0 124.7 -44.6 -10.0 -2.4 94 108 A L E -M 61 0E 0 -33,-3.0 -33,-2.1 -2,-0.5 2,-0.4 -0.958 11.1-143.8-120.3 129.2 -41.0 -8.7 -3.0 95 109 A E > - 0 0 65 -2,-0.4 3,-1.6 -35,-0.2 -38,-0.4 -0.729 25.4-107.7 -94.5 135.5 -38.1 -10.9 -4.0 96 110 A K T 3 S+ 0 0 125 -2,-0.4 -38,-0.2 1,-0.2 -1,-0.1 -0.156 101.8 18.0 -50.4 147.9 -34.5 -10.4 -2.8 97 111 A G T 3 S+ 0 0 66 -40,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.287 99.1 114.7 74.7 -11.0 -32.1 -9.0 -5.4 98 112 A R < - 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