==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 16-JAN-02 1KTK . COMPND 2 MOLECULE: EXOTOXIN TYPE C; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR E.J.SUNDBERG,H.LI,A.S.LLERA,J.K.MCCORMICK,J.TORMO, . 1200 22 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 54.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 261 21.8 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 . 6 0.5 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 . 116 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 6 1 1 0 2 0 0 2 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 2 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 PARALLEL BRIDGES PER LADDER . 13 16 12 5 12 1 3 0 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 . 10 4 4 7 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 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 3 A K 0 0 158 0, 0.0 676,-0.1 0, 0.0 675,-0.0 0.000 360.0 360.0 360.0 40.5 12.8 13.1 37.3 2 4 A K + 0 0 135 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.223 360.0 161.7 -20.9 97.7 13.0 15.0 33.9 3 5 A D > + 0 0 104 1,-0.2 3,-2.0 3,-0.1 -1,-0.2 -0.254 14.2 179.2-116.7 39.5 16.5 16.6 33.8 4 6 A I T 3> S+ 0 0 53 1,-0.3 4,-1.9 3,-0.1 3,-0.2 0.547 70.5 44.5 -14.7 -50.5 16.5 17.1 30.1 5 7 A S H 3> S+ 0 0 69 1,-0.2 2,-2.1 2,-0.2 4,-0.9 0.859 101.6 61.4 -79.9 -33.3 19.8 18.8 29.7 6 8 A N H <4 S+ 0 0 122 -3,-2.0 -1,-0.2 1,-0.2 -3,-0.1 -0.535 114.4 40.2 -90.8 71.9 22.0 16.7 32.0 7 9 A V H > S+ 0 0 19 -2,-2.1 4,-3.5 -3,-0.2 5,-0.3 -0.151 98.8 64.4-173.1 -65.7 21.2 13.9 29.6 8 10 A K H X S+ 0 0 7 -4,-1.9 4,-1.9 1,-0.2 -2,-0.1 0.781 113.1 48.6 -44.7 -22.0 21.2 15.3 26.1 9 11 A S H X S+ 0 0 40 -4,-0.9 4,-3.9 2,-0.2 5,-0.3 0.936 106.5 47.2 -84.8 -56.5 24.8 15.7 27.3 10 12 A D H > S+ 0 0 23 2,-0.2 4,-1.6 3,-0.2 -2,-0.2 0.835 120.6 44.9 -58.2 -28.5 25.7 12.2 28.7 11 13 A L H >X>S+ 0 0 0 -4,-3.5 4,-1.6 2,-0.2 3,-1.0 0.974 111.4 48.3 -75.5 -65.6 24.1 10.9 25.5 12 14 A L H 3X5S+ 0 0 21 -4,-1.9 4,-1.1 -5,-0.3 -2,-0.2 0.881 117.1 46.1 -40.5 -41.7 25.8 13.4 23.1 13 15 A Y H 3<5S+ 0 0 17 -4,-3.9 -1,-0.3 2,-0.1 -2,-0.2 0.910 118.5 42.8 -70.1 -37.0 29.0 12.4 24.9 14 16 A A H <<5S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-1.0 -3,-0.2 0.992 115.4 41.1 -72.2 -64.9 28.2 8.7 24.7 15 17 A Y H <5S+ 0 0 4 -4,-1.6 2,-2.7 1,-0.1 -1,-0.2 0.664 87.0 92.5 -62.2 -18.8 26.9 8.1 21.2 16 18 A T S <>> + 0 0 0 8,-1.5 4,-2.7 -2,-0.5 5,-0.7 0.020 34.8 120.1-121.5 26.3 39.7 -9.9 16.6 40 42 A Q T 345S+ 0 0 64 7,-0.4 4,-0.4 1,-0.2 -1,-0.1 0.788 73.1 53.6 -63.6 -32.1 43.3 -10.6 15.7 41 43 A K T 345S+ 0 0 109 -3,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.751 121.3 36.4 -73.3 -22.4 43.0 -10.2 11.9 42 44 A Y T <45S+ 0 0 100 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.1 0.925 133.8 13.7 -90.8 -69.4 41.4 -6.8 12.7 43 45 A R T <5S- 0 0 52 -4,-2.7 -3,-0.2 1,-0.2 2,-0.2 0.707 109.8 -97.9 -88.0 -18.8 43.2 -5.2 15.7 44 46 A G > < - 0 0 24 -5,-0.7 3,-2.6 -4,-0.4 -1,-0.2 -0.484 61.8 -10.0 125.2 163.4 46.3 -7.3 16.1 45 47 A K T 3 S- 0 0 165 1,-0.3 3,-0.1 -2,-0.2 -4,-0.0 0.158 124.5 -1.9 -31.8 128.4 48.1 -10.2 17.9 46 48 A D T 3 S+ 0 0 68 1,-0.2 -1,-0.3 222,-0.0 2,-0.1 0.480 93.1 148.1 65.8 -0.7 46.3 -11.6 20.9 47 49 A Y < + 0 0 27 -3,-2.6 -8,-1.5 -8,-0.1 -7,-0.4 -0.443 18.3 165.8 -71.9 142.3 43.5 -9.0 20.6 48 50 A Y E -Cd 38 80A 53 31,-3.1 33,-1.3 -10,-0.2 2,-0.4 -0.892 30.1-125.7-146.2 171.1 40.0 -10.1 21.7 49 51 A I E -Cd 37 81A 0 -12,-2.9 -12,-2.4 -2,-0.3 2,-0.6 -0.979 8.5-158.4-126.4 139.6 36.5 -8.9 22.5 50 52 A S E -Cd 36 82A 16 31,-1.5 33,-1.1 -2,-0.4 2,-0.5 -0.798 10.2-167.9-121.1 90.9 34.5 -9.5 25.7 51 53 A S E -Cd 35 83A 0 -16,-1.0 -16,-2.5 -2,-0.6 2,-1.0 -0.650 10.5-151.4 -77.2 122.5 30.8 -9.0 25.1 52 54 A E E +C 34 0A 42 31,-2.0 2,-0.4 -2,-0.5 -18,-0.2 -0.703 23.5 169.4-103.4 85.8 29.0 -8.9 28.4 53 55 A M - 0 0 9 -2,-1.0 5,-0.2 -20,-0.6 134,-0.2 -0.749 47.8 -97.0 -92.2 138.4 25.5 -10.2 27.9 54 56 A S >> - 0 0 67 132,-0.4 3,-0.6 -2,-0.4 4,-0.6 -0.235 61.8 -92.3 -50.6 148.1 23.4 -11.0 30.9 55 57 A Y T 34 S+ 0 0 38 1,-0.2 -1,-0.1 2,-0.2 -22,-0.1 0.145 102.3 46.1 -65.7 177.0 23.7 -14.7 31.5 56 58 A E T 34 S+ 0 0 204 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.349 110.4 65.8 70.9 -4.5 21.8 -17.8 30.5 57 59 A A T <4 0 0 74 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.1 0.723 360.0 360.0-104.7 -46.2 21.9 -16.2 27.1 58 60 A S < 0 0 32 -4,-0.6 -2,-0.2 -5,-0.2 -1,-0.2 -0.522 360.0 360.0 -90.7 360.0 25.6 -16.5 26.8 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 63 A F 0 0 93 0, 0.0 4,-0.3 0, 0.0 -33,-0.1 0.000 360.0 360.0 360.0 66.5 27.8 -19.5 20.2 61 64 A K - 0 0 143 2,-0.1 -34,-0.1 -31,-0.0 -32,-0.1 0.169 360.0 -18.9 -39.7 162.6 30.4 -21.4 22.2 62 65 A R S S+ 0 0 122 -34,-0.2 2,-0.5 1,-0.1 -35,-0.3 0.469 123.3 3.1 17.5-169.3 34.0 -21.9 21.0 63 66 A D S S+ 0 0 108 -35,-0.3 2,-0.2 -37,-0.1 -35,-0.1 -0.067 87.0 133.3 -40.3 89.8 35.1 -21.6 17.3 64 67 A D - 0 0 63 -2,-0.5 -37,-1.0 -37,-0.3 2,-0.5 -0.543 59.9-108.7-122.2-175.8 31.8 -20.5 15.8 65 68 A H E +A 26 0A 103 -2,-0.2 25,-1.3 -39,-0.2 2,-0.3 -0.994 43.9 167.4-124.8 130.6 31.6 -17.6 13.4 66 69 A V E -AE 25 89A 0 -41,-2.5 -41,-3.7 -2,-0.5 2,-0.4 -0.895 29.3-133.0-137.4 163.9 30.1 -14.4 14.6 67 70 A D E - E 0 88A 4 21,-3.5 21,-2.7 -2,-0.3 2,-0.4 -0.974 24.1-148.3-120.2 139.4 29.7 -10.7 13.5 68 71 A V E +AE 22 87A 0 -46,-3.6 -46,-1.0 -2,-0.4 2,-0.3 -0.921 27.4 158.4-121.8 130.2 30.3 -7.9 16.0 69 72 A F E +A 21 0A 5 17,-3.3 2,-0.3 -2,-0.4 -48,-0.2 -0.875 26.4 141.8-143.7 104.4 28.9 -4.4 16.4 70 73 A G E -A 20 0A 0 -50,-1.4 -50,-1.9 -2,-0.3 2,-0.6 -0.998 48.3-126.8-152.3 148.3 29.1 -2.8 19.8 71 74 A L - 0 0 0 -2,-0.3 13,-0.4 -52,-0.2 -2,-0.0 -0.820 37.9-133.9 -92.1 115.3 29.6 0.5 21.5 72 75 A F - 0 0 2 -2,-0.6 11,-0.2 11,-0.2 110,-0.1 -0.084 13.5-159.3 -63.1 166.1 32.4 0.1 24.2 73 76 A Y - 0 0 20 9,-1.1 106,-0.3 1,-0.2 800,-0.3 0.423 68.6 -0.3-129.2 0.0 32.3 1.4 27.8 74 77 A I - 0 0 47 8,-0.4 8,-0.4 798,-0.1 -1,-0.2 -0.936 63.4-144.0-169.3-177.1 36.1 1.5 28.8 75 78 A L + 0 0 19 796,-0.4 2,-0.7 775,-0.3 775,-0.2 -0.519 49.8 64.3-140.8-158.8 39.7 0.9 27.6 76 79 A N + 0 0 24 773,-0.5 842,-0.3 772,-0.2 5,-0.1 0.025 43.5 127.4 58.0 -14.1 43.4 -0.2 28.1 77 80 A S S S- 0 0 51 -2,-0.7 -1,-0.2 3,-0.4 4,-0.1 0.468 74.6-130.0 -52.8 10.4 43.5 -4.0 28.9 78 81 A H S S+ 0 0 110 1,-0.2 -1,-0.2 770,-0.2 3,-0.1 0.563 93.5 38.2 51.5 13.1 46.0 -3.7 26.0 79 82 A T S S+ 0 0 30 1,-0.4 -31,-3.1 -32,-0.1 2,-0.4 0.452 106.0 59.2-159.9 -16.9 44.3 -6.6 24.2 80 83 A G E -d 48 0A 7 -33,-0.2 2,-0.5 -31,-0.1 -1,-0.4 -0.960 50.9-159.4-131.4 146.3 40.5 -6.4 24.8 81 84 A E E -d 49 0A 12 -33,-1.3 -31,-1.5 -2,-0.4 2,-0.4 -0.972 24.0-142.7-118.4 131.3 37.8 -4.0 24.0 82 85 A Y E +d 50 0A 67 -2,-0.5 -9,-1.1 -8,-0.4 -8,-0.4 -0.801 27.8 156.5-103.6 141.4 34.7 -4.4 26.1 83 86 A I E -d 51 0A 0 -33,-1.1 -31,-2.0 -2,-0.4 2,-0.5 -0.830 42.9-108.2-145.3-178.7 31.1 -4.0 25.0 84 87 A Y S S- 0 0 26 -13,-0.4 2,-0.4 -2,-0.3 104,-0.2 -0.776 73.3 -57.8-121.9 84.9 27.6 -5.1 25.8 85 88 A G + 0 0 0 -2,-0.5 -16,-0.2 1,-0.1 101,-0.1 -0.670 67.3 142.3 88.3-134.4 26.2 -7.5 23.3 86 89 A G + 0 0 1 -2,-0.4 -17,-3.3 99,-0.4 2,-0.5 0.790 43.7 133.9 60.5 28.2 26.0 -6.5 19.6 87 90 A I E +E 68 0A 0 -19,-0.2 -19,-0.2 37,-0.1 -1,-0.2 -0.934 26.0 165.0-117.8 120.0 27.1 -10.0 18.7 88 91 A T E -E 67 0A 1 -21,-2.7 -21,-3.5 -2,-0.5 3,-0.1 -0.929 46.1 -84.4-133.7 157.3 25.3 -12.1 16.0 89 92 A P E -E 66 0A 41 0, 0.0 -23,-0.3 0, 0.0 2,-0.2 -0.119 69.4 -88.4 -47.9 155.6 25.8 -15.2 13.9 90 93 A A - 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