==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 27-AUG-09 2WQV . COMPND 2 MOLECULE: INTERNALIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR H.H.NIEMANN,D.W.HEINZ . 564 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 0.7 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 . 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 . 54 9.6 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 . 26 4.6 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 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 14 2 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 . 2 2 4 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 2 0 0 0 2 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 37 A T 0 0 89 0, 0.0 2,-2.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 121.2 -32.8 6.4 13.2 2 38 A I + 0 0 24 329,-0.3 34,-0.4 1,-0.2 4,-0.1 -0.508 360.0 163.3 -71.5 83.5 -30.1 6.6 10.5 3 39 A T + 0 0 100 -2,-2.1 -1,-0.2 32,-0.1 32,-0.0 0.488 65.5 35.0 -87.4 -8.0 -31.5 3.5 8.7 4 40 A V S S- 0 0 93 -3,-0.1 30,-0.1 30,-0.1 2,-0.1 -0.974 109.1 -83.0-135.6 150.0 -29.6 4.3 5.4 5 41 A P - 0 0 85 0, 0.0 30,-0.2 0, 0.0 28,-0.1 -0.343 56.5-162.9 -54.9 124.0 -26.2 5.9 5.2 6 42 A T E -A 34 0A 27 28,-2.1 28,-2.0 26,-0.1 5,-0.1 -0.907 22.3-102.6-120.3 135.5 -26.8 9.7 5.5 7 43 A P E >> -A 33 0A 32 0, 0.0 3,-1.4 0, 0.0 4,-0.9 -0.293 26.2-129.3 -52.2 134.0 -24.7 12.7 4.6 8 44 A I H >> S+ 0 0 0 24,-2.0 4,-2.2 1,-0.3 3,-1.2 0.904 108.6 63.2 -49.1 -46.3 -23.1 14.3 7.6 9 45 A K H 34 S+ 0 0 118 21,-2.6 -1,-0.3 1,-0.2 22,-0.1 0.781 101.4 50.5 -49.6 -34.3 -24.5 17.6 6.4 10 46 A Q H <4 S+ 0 0 144 -3,-1.4 -1,-0.2 20,-0.2 -2,-0.2 0.713 111.8 45.7 -82.3 -22.3 -28.1 16.4 6.8 11 47 A I H << S+ 0 0 23 -3,-1.2 2,-0.7 -4,-0.9 -2,-0.2 0.879 111.5 50.3 -85.1 -45.9 -27.6 15.1 10.4 12 48 A F < - 0 0 1 -4,-2.2 -1,-0.2 1,-0.1 45,-0.2 -0.867 69.6-161.7-103.3 109.4 -25.8 18.2 11.9 13 49 A S S S+ 0 0 82 -2,-0.7 2,-0.5 43,-0.6 -1,-0.1 0.744 70.1 79.6 -64.6 -26.8 -27.7 21.3 11.0 14 50 A D > - 0 0 25 42,-0.5 4,-2.6 40,-0.3 5,-0.2 -0.752 69.0-151.4 -89.6 123.9 -24.7 23.6 11.7 15 51 A D H > S+ 0 0 114 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.886 96.8 52.9 -58.0 -44.8 -22.1 23.8 8.9 16 52 A A H > S+ 0 0 25 1,-0.2 4,-1.6 35,-0.2 -1,-0.2 0.931 113.5 43.0 -57.0 -47.5 -19.3 24.5 11.3 17 53 A F H > S+ 0 0 0 37,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.847 110.2 55.2 -71.4 -36.7 -20.2 21.5 13.5 18 54 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.935 106.9 52.1 -58.4 -46.1 -20.7 19.2 10.4 19 55 A E H X S+ 0 0 81 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.899 107.2 53.0 -54.9 -44.4 -17.2 20.2 9.3 20 56 A T H X S+ 0 0 10 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.905 109.7 47.4 -57.4 -45.0 -15.9 19.2 12.8 21 57 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 6,-0.2 0.901 108.0 55.8 -67.2 -41.7 -17.6 15.8 12.6 22 58 A K H <>S+ 0 0 26 -4,-2.7 5,-3.2 2,-0.2 -1,-0.2 0.928 113.3 41.7 -50.5 -47.8 -16.1 15.2 9.1 23 59 A D H ><5S+ 0 0 94 -4,-2.0 3,-1.4 3,-0.2 -2,-0.2 0.906 111.9 51.9 -74.7 -42.7 -12.6 15.8 10.4 24 60 A N H 3<5S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.868 114.0 46.4 -59.2 -34.9 -13.0 13.8 13.7 25 61 A L T 3<5S- 0 0 28 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.361 112.3-124.2 -85.5 2.7 -14.3 10.9 11.5 26 62 A K T < 5 + 0 0 198 -3,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.811 58.2 154.1 59.4 31.4 -11.3 11.5 9.1 27 63 A K < - 0 0 49 -5,-3.2 -1,-0.2 -6,-0.2 3,-0.1 -0.402 49.3-129.0 -89.8 170.6 -13.8 11.9 6.1 28 64 A K S S+ 0 0 190 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.828 80.4 9.4 -90.4 -35.6 -13.2 13.8 2.9 29 65 A S > - 0 0 39 -7,-0.1 3,-1.8 1,-0.0 -21,-0.2 -0.987 63.6-120.2-149.5 149.9 -16.3 16.0 2.7 30 66 A V T 3 S+ 0 0 28 -2,-0.3 -21,-2.6 1,-0.3 -20,-0.2 0.610 113.0 64.6 -68.3 -11.1 -19.4 17.1 4.7 31 67 A T T 3 S+ 0 0 85 -23,-0.2 2,-0.3 -24,-0.1 -1,-0.3 0.412 78.8 116.8 -85.8 0.7 -21.5 15.6 2.0 32 68 A D < - 0 0 53 -3,-1.8 -24,-2.0 -25,-0.1 -23,-0.1 -0.545 68.4-119.9 -78.0 132.5 -20.2 12.1 2.8 33 69 A A E -A 7 0A 41 -2,-0.3 2,-0.3 -26,-0.3 -1,-0.1 -0.291 28.8-165.7 -65.1 148.2 -22.6 9.5 4.1 34 70 A V E -A 6 0A 0 -28,-2.0 -28,-2.1 -30,-0.1 2,-0.2 -0.987 11.1-138.5-134.8 148.9 -22.2 8.0 7.5 35 71 A T > - 0 0 31 -2,-0.3 4,-1.4 -30,-0.2 -32,-0.1 -0.451 29.1-112.7 -89.8 171.3 -23.7 5.0 9.2 36 72 A Q H > S+ 0 0 9 -34,-0.4 4,-3.0 2,-0.2 5,-0.2 0.813 116.0 64.3 -73.7 -31.4 -24.8 4.8 12.8 37 73 A N H > S+ 0 0 35 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.915 103.2 48.3 -56.1 -44.6 -22.0 2.4 13.5 38 74 A E H >4 S+ 0 0 51 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.937 113.2 46.1 -58.7 -50.0 -19.5 5.1 12.7 39 75 A L H >< S+ 0 0 0 -4,-1.4 3,-1.1 1,-0.2 24,-0.3 0.871 109.1 57.3 -62.1 -36.9 -21.4 7.6 14.9 40 76 A N H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.676 101.2 57.4 -64.9 -20.5 -21.6 5.0 17.7 41 77 A S T << S+ 0 0 70 -3,-1.0 2,-0.6 -4,-0.8 -1,-0.2 0.467 76.2 108.7 -97.2 -1.9 -17.8 4.6 17.8 42 78 A I < + 0 0 16 -3,-1.1 21,-0.2 -4,-0.3 3,-0.1 -0.673 32.6 167.2 -77.3 116.3 -16.9 8.3 18.5 43 79 A D + 0 0 69 -2,-0.6 22,-2.7 1,-0.2 23,-1.5 0.657 66.1 33.5 -93.1 -22.8 -15.6 8.5 22.0 44 80 A Q E -b 66 0B 78 20,-0.2 2,-0.5 21,-0.2 -1,-0.2 -0.998 56.0-164.2-147.5 128.9 -14.2 12.0 21.7 45 81 A I E -b 67 0B 0 21,-1.9 23,-2.6 -2,-0.4 2,-0.7 -0.985 6.6-167.6-118.1 120.4 -15.1 15.2 19.8 46 82 A I E +b 68 0B 89 -2,-0.5 23,-0.1 21,-0.2 -22,-0.1 -0.921 25.5 151.6-105.4 105.1 -12.3 17.9 19.6 47 83 A A > + 0 0 0 21,-2.4 3,-0.6 -2,-0.7 5,-0.2 -0.179 11.1 152.9-136.7 41.2 -14.1 21.0 18.4 48 84 A N T 3 + 0 0 63 1,-0.2 23,-0.2 2,-0.1 24,-0.1 -0.415 67.7 1.0 -72.3 147.4 -12.2 24.1 19.6 49 85 A N T 3 S+ 0 0 119 21,-2.1 -1,-0.2 1,-0.1 23,-0.2 0.801 87.1 127.1 55.9 42.3 -12.3 27.5 17.9 50 86 A S S < S- 0 0 43 -3,-0.6 -1,-0.1 20,-0.3 22,-0.1 0.170 75.6-115.8-121.9 11.3 -14.5 26.3 15.0 51 87 A D + 0 0 89 20,-0.6 -35,-0.2 1,-0.2 2,-0.1 0.712 48.6 176.4 62.9 25.1 -17.2 28.9 15.1 52 88 A I + 0 0 0 -5,-0.2 21,-2.7 -36,-0.2 -1,-0.2 -0.408 17.8 177.4 -67.0 129.6 -19.9 26.4 16.1 53 89 A K S S+ 0 0 133 1,-0.3 22,-0.4 -2,-0.1 2,-0.3 0.456 70.1 19.1-107.7 -8.5 -23.4 28.0 16.7 54 90 A S - 0 0 29 20,-0.1 -1,-0.3 2,-0.1 -40,-0.3 -0.865 46.7-161.0-165.6 127.9 -25.3 24.7 17.4 55 91 A V > + 0 0 0 21,-0.4 3,-2.4 -2,-0.3 4,-0.2 0.019 44.2 148.7 -94.6 23.6 -24.4 21.2 18.4 56 92 A Q T 3 + 0 0 81 1,-0.3 -43,-0.6 2,-0.1 -42,-0.5 -0.454 64.3 38.4 -55.9 124.5 -27.8 20.1 17.1 57 93 A G T > S+ 0 0 2 -2,-0.2 3,-1.7 -45,-0.2 -1,-0.3 0.080 80.0 108.0 113.3 -20.1 -27.3 16.5 15.8 58 94 A I G X + 0 0 0 -3,-2.4 3,-1.8 1,-0.3 -2,-0.1 0.670 62.6 78.9 -65.3 -16.8 -24.9 15.5 18.6 59 95 A Q G 3 S+ 0 0 47 1,-0.3 -1,-0.3 -4,-0.2 -3,-0.1 0.853 82.4 64.8 -54.8 -37.1 -27.7 13.3 20.0 60 96 A Y G < S+ 0 0 90 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.354 88.5 71.3 -74.0 6.6 -26.8 10.8 17.3 61 97 A L X + 0 0 0 -3,-1.8 3,-1.4 1,-0.1 -1,-0.2 -0.604 61.8 165.7-115.7 68.7 -23.4 10.3 19.0 62 98 A P T 3 + 0 0 23 0, 0.0 23,-0.4 0, 0.0 -1,-0.1 0.592 66.4 52.5 -64.3 -14.7 -24.6 8.4 22.1 63 99 A N T 3 S+ 0 0 25 -24,-0.3 2,-0.1 -21,-0.2 -23,-0.1 0.381 71.4 129.3-106.8 3.5 -21.2 7.1 23.3 64 100 A V < + 0 0 0 -3,-1.4 21,-0.2 1,-0.1 -20,-0.2 -0.374 25.4 173.7 -62.9 131.3 -19.2 10.3 23.5 65 101 A T + 0 0 35 -22,-2.7 22,-3.0 1,-0.2 23,-2.1 0.571 64.5 45.6-113.9 -18.4 -17.4 10.7 26.8 66 102 A K E -bc 44 88B 55 -23,-1.5 -21,-1.9 21,-0.2 2,-0.4 -0.997 59.7-177.5-130.5 131.8 -15.3 13.8 26.1 67 103 A L E -bc 45 89B 0 21,-2.2 23,-2.0 -2,-0.4 2,-0.7 -0.981 8.8-168.9-131.2 121.0 -16.3 17.0 24.4 68 104 A F E +bc 46 90B 43 -23,-2.6 -21,-2.4 -2,-0.4 23,-0.1 -0.872 25.1 151.2-107.6 97.2 -14.0 20.0 23.7 69 105 A L + 0 0 0 21,-2.5 3,-0.4 -2,-0.7 5,-0.2 0.110 20.3 147.3-115.1 21.2 -16.2 22.9 22.7 70 106 A N + 0 0 35 1,-0.2 -21,-2.1 20,-0.1 -20,-0.3 -0.185 61.4 16.2 -54.8 143.4 -14.0 25.8 23.8 71 107 A G S S+ 0 0 18 21,-2.5 -20,-0.6 -23,-0.2 -1,-0.2 0.912 92.8 116.5 62.0 51.1 -14.1 29.1 21.9 72 108 A N S S- 0 0 13 20,-0.5 -1,-0.2 21,-0.4 -19,-0.1 -0.470 73.8-101.6-124.4-160.4 -17.2 28.7 19.8 73 109 A K + 0 0 104 -21,-2.7 21,-0.1 -2,-0.2 2,-0.1 -0.136 58.8 149.5-120.7 35.3 -20.5 30.6 19.5 74 110 A L + 0 0 0 -5,-0.2 21,-3.0 1,-0.1 -20,-0.1 -0.451 17.5 169.3 -70.6 142.1 -22.9 28.3 21.4 75 111 A T + 0 0 92 -22,-0.4 2,-0.2 1,-0.3 22,-0.2 -0.011 69.3 34.2-135.4 30.2 -25.8 29.9 23.3 76 112 A D - 0 0 47 20,-0.1 -21,-0.4 21,-0.1 -1,-0.3 -0.794 49.1-172.8 174.0 129.0 -27.7 26.7 24.2 77 113 A I > + 0 0 0 -2,-0.2 3,-1.6 21,-0.2 4,-0.3 0.026 43.3 127.3-128.9 28.6 -26.7 23.1 25.0 78 114 A K G > + 0 0 140 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.852 69.2 63.6 -56.6 -39.9 -30.0 21.3 25.1 79 115 A P G > S+ 0 0 4 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.760 95.1 60.2 -53.3 -28.5 -28.7 18.6 22.6 80 116 A L G X S+ 0 0 0 -3,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.604 79.1 93.1 -73.8 -12.1 -26.1 17.5 25.2 81 117 A A G < S+ 0 0 43 -3,-1.8 -1,-0.2 -4,-0.3 23,-0.2 0.735 89.6 40.7 -56.0 -27.1 -29.0 16.6 27.6 82 118 A N G < S+ 0 0 85 -3,-0.8 2,-1.9 -4,-0.2 -1,-0.3 0.336 79.8 104.1-108.3 7.0 -29.0 13.0 26.4 83 119 A L X + 0 0 1 -3,-1.9 3,-1.9 1,-0.2 -1,-0.1 -0.504 46.5 171.9 -84.7 70.2 -25.3 12.3 26.1 84 120 A K T 3 + 0 0 82 -2,-1.9 23,-0.5 1,-0.3 -1,-0.2 0.596 66.3 60.8 -63.7 -16.3 -25.4 10.3 29.4 85 121 A N T 3 S+ 0 0 55 -23,-0.4 -1,-0.3 -21,-0.2 2,-0.2 0.330 73.2 134.5 -89.7 9.6 -21.9 8.9 29.1 86 122 A L < + 0 0 0 -3,-1.9 21,-0.2 1,-0.2 -21,-0.2 -0.407 18.5 161.7 -69.4 123.3 -20.3 12.4 29.2 87 123 A G + 0 0 15 -22,-3.0 22,-2.1 1,-0.3 23,-2.1 0.775 65.9 31.9-107.2 -44.5 -17.3 12.6 31.6 88 124 A W E +cd 66 110B 118 -23,-2.1 -21,-2.2 21,-0.2 2,-0.4 -0.988 63.1 175.0-119.8 129.1 -15.5 15.8 30.5 89 125 A L E -cd 67 111B 0 21,-2.0 23,-2.0 -2,-0.4 2,-0.5 -0.991 5.7-174.5-134.3 124.1 -17.2 18.8 29.0 90 126 A F E +cd 68 112B 30 -23,-2.0 -21,-2.5 -2,-0.4 23,-0.2 -0.967 13.9 162.3-126.2 117.2 -15.4 22.1 28.2 91 127 A L > + 0 0 0 21,-2.9 3,-0.6 -2,-0.5 5,-0.3 -0.152 18.1 157.8-126.3 34.0 -17.5 25.1 27.1 92 128 A D T 3 + 0 0 21 1,-0.2 -21,-2.5 21,-0.1 -20,-0.5 -0.235 63.0 15.6 -64.4 150.7 -15.2 28.0 27.6 93 129 A E T 3 S+ 0 0 108 21,-2.2 -21,-0.4 -23,-0.2 2,-0.2 0.859 97.4 108.9 52.6 44.6 -15.8 31.2 25.6 94 130 A N S < S- 0 0 5 -3,-0.6 -1,-0.2 20,-0.4 -19,-0.2 -0.618 77.3-112.6-119.9-169.9 -19.3 30.5 24.5 95 131 A K + 0 0 150 -21,-3.0 2,-0.5 -2,-0.2 21,-0.1 -0.470 55.6 153.0-123.6 61.7 -22.5 32.2 25.8 96 132 A V + 0 0 0 -5,-0.3 -2,-0.1 1,-0.1 -20,-0.1 -0.817 10.8 150.2-101.2 123.9 -24.1 29.3 27.6 97 133 A K + 0 0 116 -2,-0.5 2,-1.6 -22,-0.2 3,-0.2 0.470 48.9 92.6-126.3 -12.3 -26.5 30.0 30.6 98 134 A D > + 0 0 41 1,-0.2 3,-1.5 2,-0.1 -21,-0.2 -0.515 41.5 159.2 -85.9 69.9 -28.9 27.0 30.5 99 135 A L G > + 0 0 6 -2,-1.6 3,-1.7 21,-0.3 -1,-0.2 0.682 60.1 78.4 -67.6 -17.7 -27.0 24.8 32.9 100 136 A S G > S+ 0 0 74 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.746 75.8 74.5 -63.6 -23.9 -30.1 22.8 33.6 101 137 A S G < S+ 0 0 20 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.771 95.5 53.2 -54.7 -26.4 -29.6 21.0 30.3 102 138 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