==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BACTERIAL INFECTION 13-OCT-02 1O6S . COMPND 2 MOLECULE: INTERNALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR W.-D.SCHUBERT,C.URBANKE,T.ZIEHM,V.BEIER,M.P.MACHNER, . 564 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 0.2 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 . 49 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 14 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 0 PARALLEL BRIDGES PER LADDER . 2 3 3 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 1 1 0 0 0 0 0 0 0 0 0 0 1 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 36 A A 0 0 75 0, 0.0 2,-0.3 0, 0.0 62,-0.2 0.000 360.0 360.0 360.0 112.9 15.8 47.6 -12.5 2 37 A T - 0 0 86 60,-0.1 2,-0.2 61,-0.0 60,-0.1 -0.987 360.0-130.0-140.7 135.1 17.7 44.9 -14.5 3 38 A I - 0 0 19 -2,-0.3 34,-0.4 58,-0.1 3,-0.1 -0.587 20.9-149.7 -74.6 150.4 20.7 45.2 -17.0 4 39 A T + 0 0 136 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.806 66.7 7.4-103.0 -38.3 19.8 43.2 -20.1 5 40 A Q S S- 0 0 155 30,-0.1 2,-0.1 31,-0.0 30,-0.1 -0.788 106.2 -51.9-130.9 179.2 23.1 41.9 -21.5 6 41 A D - 0 0 87 -2,-0.3 30,-0.2 28,-0.1 28,-0.1 -0.372 62.0-174.1 -58.1 126.6 26.7 41.9 -20.3 7 42 A T E -A 35 0A 30 28,-2.3 28,-1.1 -2,-0.1 5,-0.1 -0.973 31.5-101.5-129.8 134.3 27.6 45.5 -19.3 8 43 A P E >> -A 34 0A 32 0, 0.0 3,-1.1 0, 0.0 4,-0.6 -0.241 31.0-129.0 -48.7 139.6 30.9 47.0 -18.2 9 44 A I H >> S+ 0 0 0 24,-1.6 4,-2.6 22,-0.5 3,-1.4 0.914 108.4 55.8 -59.5 -39.7 30.9 47.5 -14.4 10 45 A N H 34 S+ 0 0 66 21,-2.0 -1,-0.2 1,-0.3 22,-0.1 0.421 102.3 55.1 -83.6 3.0 32.0 51.1 -14.8 11 46 A Q H <4 S+ 0 0 136 -3,-1.1 -1,-0.3 20,-0.2 3,-0.2 0.478 113.1 42.8 -98.4 -12.6 29.0 51.8 -17.0 12 47 A I H << S+ 0 0 12 -3,-1.4 2,-0.8 -4,-0.6 -2,-0.2 0.827 121.8 37.2 -92.1 -49.9 26.6 50.5 -14.3 13 48 A F S < S- 0 0 0 -4,-2.6 -1,-0.3 1,-0.1 45,-0.2 -0.880 72.8-177.2-105.2 96.4 28.3 52.2 -11.3 14 49 A T + 0 0 82 -2,-0.8 2,-0.3 43,-0.3 -1,-0.1 0.790 54.9 94.3 -72.2 -27.5 29.4 55.5 -12.7 15 50 A D S > S- 0 0 14 42,-0.4 4,-2.3 40,-0.3 5,-0.2 -0.525 75.6-138.5 -66.1 127.5 31.1 56.7 -9.5 16 51 A T H > S+ 0 0 125 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.886 99.1 46.3 -56.9 -46.4 34.8 55.8 -9.8 17 52 A A H > S+ 0 0 25 35,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 113.3 48.8 -64.6 -43.4 35.2 54.6 -6.2 18 53 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.856 107.9 53.0 -69.1 -35.1 32.1 52.5 -6.3 19 54 A A H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.888 108.5 51.2 -70.2 -35.9 32.9 50.8 -9.6 20 55 A E H X S+ 0 0 93 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.911 112.3 47.0 -59.6 -42.6 36.3 49.7 -8.2 21 56 A K H X S+ 0 0 56 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.936 112.3 48.8 -67.0 -44.4 34.6 48.3 -5.1 22 57 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.805 102.2 62.0 -67.6 -31.9 32.0 46.5 -7.1 23 58 A K H <>S+ 0 0 34 -4,-2.0 5,-2.9 2,-0.2 4,-0.4 0.941 109.6 43.4 -57.9 -46.6 34.6 45.0 -9.4 24 59 A T H ><5S+ 0 0 88 -4,-1.5 3,-0.9 3,-0.2 -2,-0.2 0.920 112.1 50.9 -61.4 -51.0 35.9 43.3 -6.2 25 60 A V H 3<5S+ 0 0 59 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 114.9 44.0 -52.4 -39.3 32.5 42.3 -4.9 26 61 A L T 3<5S- 0 0 25 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.436 114.3-119.0 -95.4 -2.9 31.6 40.7 -8.2 27 62 A G T < 5 + 0 0 65 -3,-0.9 2,-0.2 -4,-0.4 -3,-0.2 0.843 62.4 142.9 73.3 40.1 35.1 39.1 -8.5 28 63 A K < - 0 0 62 -5,-2.9 -1,-0.2 -6,-0.2 3,-0.1 -0.653 48.1-141.9-106.6 163.5 36.2 40.8 -11.7 29 64 A T S S+ 0 0 98 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.794 83.0 31.4 -97.0 -40.1 39.8 42.0 -12.4 30 65 A N S > S- 0 0 89 -7,-0.1 3,-2.0 1,-0.1 -21,-0.2 -0.950 75.5-125.7-120.5 149.7 39.2 45.3 -14.4 31 66 A V T 3 S+ 0 0 40 -2,-0.3 -21,-2.0 1,-0.3 -22,-0.5 0.669 111.5 62.4 -66.9 -15.6 36.2 47.8 -13.9 32 67 A T T 3 S+ 0 0 88 -23,-0.2 -1,-0.3 -24,-0.2 -21,-0.0 0.527 79.5 119.7 -82.5 -6.2 35.6 47.5 -17.6 33 68 A D < - 0 0 42 -3,-2.0 -24,-1.6 -25,-0.2 -23,-0.1 -0.269 68.2-110.7 -62.4 145.9 34.8 43.7 -17.2 34 69 A T E +A 8 0A 56 -26,-0.2 2,-0.3 -25,-0.1 -1,-0.1 -0.378 36.1 176.0 -75.2 145.1 31.4 42.6 -18.1 35 70 A V E -A 7 0A 0 -28,-1.1 -28,-2.3 -30,-0.1 2,-0.2 -0.953 13.4-149.1-138.1 166.0 28.6 41.4 -15.7 36 71 A S >> - 0 0 26 -2,-0.3 4,-1.6 -30,-0.2 3,-0.7 -0.726 39.5 -93.9-121.0 175.4 25.0 40.3 -16.1 37 72 A Q H 3> S+ 0 0 21 -34,-0.4 4,-2.2 1,-0.2 5,-0.1 0.817 121.7 65.7 -60.4 -31.4 21.9 40.6 -13.9 38 73 A T H 34 S+ 0 0 87 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.893 104.3 44.2 -47.5 -52.1 22.8 37.0 -12.7 39 74 A D H X4 S+ 0 0 47 -3,-0.7 3,-1.2 1,-0.2 4,-0.3 0.863 112.2 50.2 -66.4 -44.9 25.9 38.3 -11.1 40 75 A L H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.3 24,-0.3 0.835 101.5 64.2 -68.5 -29.5 24.3 41.4 -9.5 41 76 A D T 3< S+ 0 0 54 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.618 93.2 63.4 -66.6 -15.4 21.6 39.3 -8.1 42 77 A Q T < S+ 0 0 146 -3,-1.2 2,-0.7 -4,-0.3 -1,-0.3 0.639 79.6 95.4 -85.6 -14.6 24.2 37.5 -5.9 43 78 A V < + 0 0 10 -3,-1.4 21,-0.3 -4,-0.3 3,-0.1 -0.686 37.5 153.2 -82.1 107.9 25.1 40.7 -4.0 44 79 A T + 0 0 67 -2,-0.7 22,-3.3 1,-0.2 23,-1.3 0.551 64.5 30.8-112.9 -15.4 23.0 40.8 -0.7 45 80 A T E -b 67 0B 72 20,-0.2 2,-0.3 21,-0.2 -1,-0.2 -0.966 61.5-169.4-136.3 158.0 25.2 42.9 1.5 46 81 A L E -b 68 0B 4 21,-1.6 23,-2.4 -2,-0.3 2,-0.9 -0.893 10.6-167.5-153.1 115.2 27.7 45.7 0.7 47 82 A Q E +b 69 0B 92 -2,-0.3 23,-0.1 21,-0.2 21,-0.1 -0.864 30.3 148.6-103.8 91.9 30.2 47.4 3.1 48 83 A A + 0 0 0 21,-2.6 3,-0.5 -2,-0.9 5,-0.2 -0.173 20.6 140.7-122.5 39.5 31.3 50.5 1.1 49 84 A D + 0 0 29 1,-0.2 23,-0.2 2,-0.1 24,-0.1 -0.465 63.7 15.3 -76.1 148.6 32.0 52.9 4.0 50 85 A R S S+ 0 0 49 21,-1.8 -1,-0.2 -2,-0.1 23,-0.2 0.777 85.2 120.3 67.7 36.8 34.9 55.3 3.8 51 86 A L S S- 0 0 74 -3,-0.5 22,-0.1 21,-0.1 -1,-0.1 0.329 83.1-108.4-118.7 8.3 35.6 55.0 0.1 52 87 A G + 0 0 29 20,-0.6 2,-0.3 1,-0.2 -35,-0.2 0.759 57.0 170.4 70.0 24.5 35.2 58.6 -1.2 53 88 A I + 0 0 0 -5,-0.2 21,-2.9 1,-0.1 -1,-0.2 -0.533 18.4 173.8 -73.2 128.9 31.9 57.7 -3.0 54 89 A K + 0 0 130 -2,-0.3 22,-0.5 1,-0.3 2,-0.4 0.595 68.1 31.4-107.5 -18.4 29.8 60.7 -4.3 55 90 A S - 0 0 27 20,-0.1 -1,-0.3 21,-0.1 -40,-0.3 -0.992 50.1-162.9-144.6 136.5 27.2 58.8 -6.2 56 91 A I > + 0 0 0 21,-0.5 3,-2.3 -2,-0.4 4,-0.3 0.183 39.3 148.7-103.8 20.1 25.4 55.5 -5.7 57 92 A D T 3 + 0 0 63 1,-0.2 -42,-0.4 2,-0.1 -43,-0.3 -0.268 66.3 36.2 -45.9 128.8 24.1 55.3 -9.3 58 93 A G T > S+ 0 0 2 -45,-0.2 3,-1.6 -44,-0.1 4,-0.3 -0.012 84.7 98.5 108.4 -27.9 24.0 51.6 -10.2 59 94 A V G X + 0 0 0 -3,-2.3 3,-1.6 1,-0.3 6,-0.2 0.766 68.3 75.7 -64.3 -22.0 23.0 50.3 -6.8 60 95 A E G 3 S+ 0 0 64 -4,-0.3 -1,-0.3 1,-0.3 -3,-0.1 0.787 89.9 58.7 -58.3 -25.0 19.4 50.1 -8.1 61 96 A Y G < S+ 0 0 61 -3,-1.6 2,-2.2 1,-0.2 -1,-0.3 0.707 82.2 84.0 -78.7 -20.7 20.4 47.0 -10.0 62 97 A L X + 0 0 0 -3,-1.6 3,-1.6 -4,-0.3 -1,-0.2 -0.477 58.7 167.0 -80.1 68.2 21.5 45.2 -6.8 63 98 A N T 3 + 0 0 48 -2,-2.2 23,-0.4 1,-0.3 -1,-0.2 0.691 65.1 55.1 -62.4 -23.5 17.9 44.1 -6.3 64 99 A N T 3 S+ 0 0 42 -24,-0.3 -1,-0.3 -21,-0.3 -2,-0.1 0.398 72.5 133.1 -98.9 6.5 18.7 41.6 -3.5 65 100 A L < + 0 0 0 -3,-1.6 -20,-0.2 -6,-0.2 21,-0.2 -0.297 20.2 167.5 -56.8 129.3 20.6 43.9 -1.1 66 101 A T + 0 0 58 -22,-3.3 22,-3.2 1,-0.3 23,-1.6 0.574 68.0 32.4-111.5 -25.6 19.5 43.4 2.5 67 102 A Q E +bc 45 89B 52 -23,-1.3 -21,-1.6 21,-0.2 2,-0.4 -0.992 63.8 175.4-140.2 127.4 22.3 45.3 4.3 68 103 A I E -bc 46 90B 0 21,-2.1 23,-2.3 -2,-0.4 2,-0.5 -0.996 15.3-166.3-133.1 143.7 24.3 48.4 3.2 69 104 A N E +bc 47 91B 5 -23,-2.4 -21,-2.6 -2,-0.4 23,-0.2 -0.958 24.6 150.9-122.8 107.8 27.0 50.5 4.7 70 105 A F + 0 0 0 21,-3.2 3,-0.3 -2,-0.5 5,-0.3 -0.041 30.9 140.0-118.8 30.6 27.7 53.7 2.8 71 106 A S + 0 0 0 20,-0.4 -21,-1.8 1,-0.2 23,-0.2 -0.286 57.4 27.9 -73.2 160.7 28.7 55.8 5.9 72 107 A N S S+ 0 0 18 21,-2.3 -20,-0.6 -23,-0.2 -1,-0.2 0.898 96.0 108.5 59.4 50.4 31.7 58.2 5.8 73 108 A N S S- 0 0 11 21,-1.0 -1,-0.2 -3,-0.3 -19,-0.2 -0.445 80.8-100.3-131.3-158.7 31.4 59.0 2.1 74 109 A Q + 0 0 89 -21,-2.9 21,-0.1 -2,-0.2 2,-0.1 -0.205 58.1 156.1-126.7 41.5 30.2 62.1 0.2 75 110 A L + 0 0 0 -5,-0.3 21,-2.6 1,-0.2 -20,-0.1 -0.356 11.4 156.8 -71.6 146.1 26.7 61.1 -0.8 76 111 A T + 0 0 69 1,-0.5 22,-0.5 -22,-0.5 23,-0.5 0.492 66.4 43.9-124.9 -63.1 24.0 63.7 -1.5 77 112 A D + 0 0 78 -23,-0.3 -1,-0.5 20,-0.1 -21,-0.5 -0.753 54.9 177.4 -95.1 130.3 21.4 62.1 -3.6 78 113 A I > + 0 0 1 -2,-0.4 3,-1.6 21,-0.4 4,-0.2 -0.113 35.7 129.0-123.2 31.1 20.3 58.6 -2.6 79 114 A T G > + 0 0 77 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.819 60.1 71.3 -55.2 -36.6 17.6 58.0 -5.2 80 115 A P G 3 S+ 0 0 12 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.683 90.1 63.1 -59.0 -14.5 19.0 54.6 -6.3 81 116 A L G X S+ 0 0 0 -3,-1.6 3,-2.0 1,-0.2 -2,-0.2 0.653 75.2 99.8 -75.8 -14.4 17.8 53.2 -3.0 82 117 A K T < S+ 0 0 103 -3,-2.2 23,-0.3 1,-0.3 -1,-0.2 0.719 90.5 27.4 -53.9 -39.1 14.1 53.9 -3.8 83 118 A N T 3 S+ 0 0 119 -3,-0.3 2,-1.9 -4,-0.2 -1,-0.3 0.243 85.1 109.2-109.3 12.6 13.0 50.4 -5.0 84 119 A L X + 0 0 2 -3,-2.0 3,-1.6 1,-0.2 -1,-0.1 -0.513 38.9 162.4 -85.9 70.4 15.5 48.2 -2.9 85 120 A T T 3 + 0 0 64 -2,-1.9 23,-0.3 1,-0.3 -1,-0.2 0.512 59.6 70.5 -79.3 -7.2 12.7 47.0 -0.7 86 121 A K T 3 S+ 0 0 111 -23,-0.4 -1,-0.3 -21,-0.2 2,-0.1 0.534 72.2 122.1 -80.8 -3.9 14.6 44.0 0.6 87 122 A L < + 0 0 0 -3,-1.6 21,-0.3 1,-0.2 -20,-0.2 -0.391 28.1 165.1 -62.1 129.6 16.8 46.4 2.6 88 123 A V + 0 0 61 -22,-3.2 22,-2.4 1,-0.3 23,-1.4 0.536 65.7 33.0-120.6 -22.3 16.7 45.7 6.4 89 124 A D E -cd 67 111B 34 -23,-1.6 -21,-2.1 21,-0.2 2,-0.4 -0.973 59.0-178.0-143.3 127.6 19.7 47.8 7.6 90 125 A I E -cd 68 112B 0 21,-2.5 23,-2.3 -2,-0.3 2,-0.6 -0.992 6.0-170.9-126.2 124.2 21.2 51.0 6.2 91 126 A L E +cd 69 113B 41 -23,-2.3 -21,-3.2 -2,-0.4 -20,-0.4 -0.949 28.1 143.3-111.3 112.2 24.3 52.7 7.7 92 127 A M + 0 0 0 21,-2.2 5,-0.2 -2,-0.6 3,-0.2 0.136 16.3 142.2-146.7 27.1 24.7 56.1 6.1 93 128 A N + 0 0 6 1,-0.2 -21,-2.3 435,-0.1 -20,-0.3 -0.215 58.5 34.8 -63.5 156.2 26.0 58.5 8.7 94 129 A N S S+ 0 0 58 21,-2.0 -21,-1.0 22,-0.3 23,-0.2 0.947 87.7 111.1 61.8 58.7 28.6 61.2 7.8 95 130 A N S S- 0 0 11 21,-1.2 -1,-0.2 20,-0.2 -19,-0.1 -0.534 77.7-103.0-130.8-159.1 27.5 62.1 4.3 96 131 A Q + 0 0 96 -21,-2.6 2,-0.2 -2,-0.2 21,-0.1 -0.023 61.6 150.1-119.9 27.0 25.9 65.3 2.8 97 132 A I + 0 0 0 -5,-0.2 21,-3.2 1,-0.2 -20,-0.1 -0.431 12.8 157.0 -76.1 132.5 22.3 63.9 2.5 98 133 A A + 0 0 55 -22,-0.5 22,-0.6 1,-0.2 2,-0.6 0.565 62.9 58.0-117.4 -29.2 19.4 66.4 2.8 99 134 A D + 0 0 97 -23,-0.5 -21,-0.4 20,-0.1 -1,-0.2 -0.947 47.9 170.4-117.0 111.9 16.6 64.6 1.0 100 135 A I > + 0 0 1 -2,-0.6 3,-2.1 21,-0.4 4,-0.3 0.119 43.3 116.3-107.5 19.2 15.5 61.2 2.3 101 136 A T G > + 0 0 80 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.877 66.6 69.1 -49.6 -40.1 12.4 60.8 0.3 102 137 A P G 3 S+ 0 0 13 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