==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 31-MAY-12 4AW4 . COMPND 2 MOLECULE: INTERNALIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR H.H.NIEMANN,D.W.HEINZ . 915 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 9.9 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 90 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 3 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 24 3 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 . 3 6 4 0 2 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 6 3 0 0 0 0 3 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 36 A E 0 0 87 0, 0.0 2,-0.3 0, 0.0 380,-0.0 0.000 360.0 360.0 360.0 135.7 27.1 6.7 -3.6 2 37 A T - 0 0 39 378,-0.1 2,-0.4 60,-0.1 378,-0.1 -0.969 360.0-131.3-132.3 151.3 26.8 9.4 -6.3 3 38 A I - 0 0 19 -2,-0.3 34,-0.4 58,-0.2 4,-0.1 -0.853 17.8-167.0 -96.2 142.4 26.8 9.2 -10.1 4 39 A T + 0 0 38 -2,-0.4 -1,-0.1 32,-0.1 32,-0.0 0.527 66.9 41.9-110.5 -9.6 29.1 11.8 -11.5 5 40 A V S S- 0 0 41 30,-0.1 30,-0.1 829,-0.0 -1,-0.1 -0.951 101.5 -84.9-131.5 152.5 28.2 11.9 -15.3 6 41 A P - 0 0 0 0, 0.0 30,-0.2 0, 0.0 28,-0.1 -0.384 56.7-174.1 -59.2 131.1 24.7 11.8 -16.9 7 42 A T E -A 35 0A 8 28,-2.6 28,-2.8 26,-0.1 5,-0.1 -0.988 29.4-101.2-135.5 138.5 23.8 8.1 -17.0 8 43 A P E >> -A 34 0A 23 0, 0.0 3,-1.4 0, 0.0 4,-1.0 -0.359 32.6-122.8 -59.5 140.3 20.8 6.2 -18.6 9 44 A I H >> S+ 0 0 0 24,-2.4 4,-3.1 1,-0.3 3,-1.1 0.901 109.6 55.7 -50.4 -45.3 18.3 5.1 -16.0 10 45 A K H 34 S+ 0 0 119 21,-2.5 -1,-0.3 1,-0.3 22,-0.1 0.704 100.3 58.1 -67.6 -20.7 18.6 1.4 -17.0 11 46 A Q H <4 S+ 0 0 122 -3,-1.4 -1,-0.3 20,-0.2 -2,-0.2 0.747 117.0 34.1 -77.4 -27.2 22.4 1.3 -16.4 12 47 A I H << S+ 0 0 15 -3,-1.1 2,-0.9 -4,-1.0 -2,-0.2 0.827 121.6 45.6 -94.0 -45.2 21.9 2.4 -12.7 13 48 A F S < S- 0 0 0 -4,-3.1 -1,-0.2 -5,-0.2 6,-0.2 -0.815 72.6-174.5-104.9 94.3 18.6 0.7 -12.0 14 49 A S + 0 0 74 -2,-0.9 2,-0.6 -3,-0.2 -1,-0.2 0.696 58.7 83.7 -75.0 -21.4 19.2 -2.7 -13.4 15 50 A D S > S- 0 0 21 42,-0.4 4,-2.7 40,-0.2 3,-0.4 -0.759 75.9-141.8 -77.8 122.0 15.7 -4.2 -12.8 16 51 A D H > S+ 0 0 122 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.857 99.3 51.1 -45.5 -48.9 13.6 -3.1 -15.8 17 52 A A H > S+ 0 0 14 35,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 111.6 45.3 -65.1 -40.0 10.5 -2.6 -13.7 18 53 A F H > S+ 0 0 0 -3,-0.4 4,-2.5 37,-0.2 -1,-0.2 0.892 110.0 55.9 -71.0 -39.2 12.3 -0.4 -11.1 19 54 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -6,-0.2 -2,-0.2 0.917 106.9 50.1 -54.4 -41.3 13.9 1.5 -14.0 20 55 A E H X S+ 0 0 102 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.907 108.2 54.3 -65.1 -40.5 10.4 2.2 -15.3 21 56 A T H X S+ 0 0 13 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.926 111.3 43.8 -56.7 -47.4 9.5 3.4 -11.7 22 57 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.938 112.5 52.2 -68.3 -44.6 12.3 5.9 -11.7 23 58 A K H <>S+ 0 0 41 -4,-2.7 5,-3.2 1,-0.2 -1,-0.2 0.922 113.4 44.7 -51.9 -48.7 11.6 7.0 -15.2 24 59 A D H ><5S+ 0 0 87 -4,-2.6 3,-1.5 3,-0.2 -2,-0.2 0.924 111.0 53.5 -64.8 -44.3 7.9 7.6 -14.3 25 60 A N H 3<5S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.912 115.5 39.6 -60.8 -40.9 8.9 9.3 -11.0 26 61 A L T 3<5S- 0 0 29 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.303 111.9-121.8 -88.5 4.9 11.2 11.8 -12.9 27 62 A K T < 5 + 0 0 184 -3,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.853 57.0 156.6 55.2 43.4 8.7 12.1 -15.7 28 63 A K < - 0 0 22 -5,-3.2 -1,-0.1 -6,-0.2 3,-0.1 -0.387 47.1-128.5 -89.3 174.9 11.2 10.9 -18.3 29 64 A K S S+ 0 0 111 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.691 82.1 13.2 -96.9 -23.0 10.2 9.3 -21.6 30 65 A S > - 0 0 40 -7,-0.1 3,-1.5 1,-0.0 -1,-0.2 -0.991 67.2-118.3-152.1 154.6 12.3 6.1 -21.6 31 66 A V T 3 S+ 0 0 36 -2,-0.3 -21,-2.5 1,-0.3 -20,-0.2 0.570 115.6 64.1 -72.6 -10.7 14.4 4.0 -19.2 32 67 A T T 3 S+ 0 0 70 -23,-0.2 -1,-0.3 -24,-0.1 2,-0.1 0.566 77.5 113.2 -86.2 -9.6 17.2 4.8 -21.6 33 68 A D S < S- 0 0 8 -3,-1.5 -24,-2.4 -25,-0.1 2,-0.2 -0.366 72.7-113.9 -62.4 140.7 17.0 8.6 -20.8 34 69 A A E -A 8 0A 1 -26,-0.3 2,-0.3 -25,-0.1 -1,-0.1 -0.490 30.8-167.7 -75.6 140.5 20.0 10.0 -18.9 35 70 A V E -A 7 0A 0 -28,-2.8 -28,-2.6 -2,-0.2 2,-0.2 -0.946 8.3-146.4-123.4 153.7 19.7 11.2 -15.4 36 71 A T > - 0 0 21 -2,-0.3 4,-2.1 -30,-0.2 3,-0.4 -0.713 32.4-107.8-107.1 163.5 22.2 13.2 -13.2 37 72 A Q H > S+ 0 0 26 -34,-0.4 4,-2.3 -2,-0.2 5,-0.2 0.871 121.0 59.3 -57.8 -36.5 22.8 13.0 -9.5 38 73 A N H > S+ 0 0 129 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.895 105.3 47.9 -59.0 -41.0 21.0 16.3 -9.1 39 74 A E H >4 S+ 0 0 42 -3,-0.4 3,-1.1 1,-0.2 4,-0.3 0.940 112.4 48.8 -64.7 -46.1 17.9 14.8 -10.7 40 75 A L H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 24,-0.3 0.830 103.7 61.7 -62.9 -31.0 18.1 11.7 -8.4 41 76 A N H 3< S+ 0 0 49 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.712 93.1 65.4 -67.3 -20.8 18.5 14.1 -5.4 42 77 A S T << S+ 0 0 73 -3,-1.1 2,-0.9 -4,-0.6 -1,-0.3 0.676 77.1 101.6 -74.6 -15.2 15.1 15.5 -6.2 43 78 A I < + 0 0 2 -3,-1.4 21,-0.2 -4,-0.3 3,-0.1 -0.574 32.4 153.1 -78.0 106.3 13.5 12.1 -5.3 44 79 A D + 0 0 91 -2,-0.9 22,-3.1 1,-0.3 23,-1.5 0.660 66.9 28.4 -98.6 -27.2 11.9 12.3 -1.8 45 80 A Q E -b 67 0B 106 20,-0.2 2,-0.5 21,-0.2 -1,-0.3 -1.000 59.3-163.9-142.3 132.4 9.1 9.7 -2.2 46 81 A I E -b 68 0B 0 21,-2.4 23,-2.3 -2,-0.4 2,-0.6 -0.993 1.0-171.2-114.1 130.0 8.7 6.6 -4.3 47 82 A I E +b 69 0B 107 -2,-0.5 23,-0.1 21,-0.2 21,-0.0 -0.968 26.0 148.0-117.3 105.9 5.3 5.0 -4.9 48 83 A A + 0 0 1 21,-2.6 3,-0.5 -2,-0.6 5,-0.3 -0.023 13.4 147.5-139.5 31.2 6.0 1.7 -6.6 49 84 A N + 0 0 64 1,-0.2 23,-0.2 2,-0.1 24,-0.1 -0.279 68.5 14.3 -56.1 147.9 3.3 -0.8 -5.5 50 85 A N S S+ 0 0 110 21,-2.0 -1,-0.2 22,-0.4 23,-0.2 0.865 87.6 123.8 60.6 46.3 2.0 -3.4 -7.8 51 86 A S S S- 0 0 42 -3,-0.5 22,-0.1 21,-0.4 -1,-0.1 0.190 76.4-115.4-128.8 13.6 4.9 -3.0 -10.4 52 87 A D + 0 0 107 20,-0.5 -35,-0.2 1,-0.2 2,-0.2 0.763 51.5 173.8 49.0 36.2 6.5 -6.5 -10.8 53 88 A I + 0 0 0 -5,-0.3 21,-3.0 -36,-0.2 -1,-0.2 -0.502 17.2 176.5 -75.8 130.9 9.8 -5.1 -9.2 54 89 A K + 0 0 95 1,-0.4 22,-0.9 -2,-0.2 23,-0.3 0.637 66.2 13.4-109.2 -24.0 12.4 -7.8 -8.7 55 90 A S - 0 0 41 20,-0.2 -1,-0.4 21,-0.1 -40,-0.2 -0.993 48.6-154.7-152.4 144.9 15.3 -5.7 -7.4 56 91 A V > + 0 0 0 21,-0.5 3,-2.7 -2,-0.3 4,-0.2 0.090 41.6 150.8-107.7 21.5 15.9 -2.1 -6.2 57 92 A Q T 3 + 0 0 76 1,-0.3 -42,-0.4 2,-0.1 -43,-0.2 -0.259 64.8 38.5 -48.5 132.5 19.5 -2.1 -7.2 58 93 A G T > S+ 0 0 0 -45,-0.2 3,-2.1 -44,-0.1 -1,-0.3 -0.002 82.8 104.2 106.3 -25.7 20.3 1.5 -7.9 59 94 A I G X + 0 0 0 -3,-2.7 3,-2.1 1,-0.3 6,-0.2 0.740 61.5 79.5 -63.0 -20.9 18.2 3.0 -5.1 60 95 A Q G 3 S+ 0 0 34 1,-0.3 -1,-0.3 -4,-0.2 -3,-0.1 0.648 82.9 66.5 -60.7 -12.3 21.3 3.6 -3.1 61 96 A Y G < S+ 0 0 42 -3,-2.1 -1,-0.3 1,-0.2 -58,-0.2 0.273 80.5 85.2 -92.0 9.7 21.7 6.8 -5.3 62 97 A L X + 0 0 0 -3,-2.1 3,-1.6 1,-0.2 -1,-0.2 -0.606 49.4 165.4-108.8 73.9 18.6 8.4 -3.8 63 98 A P T 3 S+ 0 0 45 0, 0.0 23,-0.4 0, 0.0 -1,-0.2 0.720 73.5 51.3 -63.6 -22.6 19.9 10.1 -0.7 64 99 A N T 3 S+ 0 0 63 -24,-0.3 2,-0.3 -21,-0.2 -23,-0.1 0.345 75.7 127.0 -98.2 6.0 16.8 12.2 -0.1 65 100 A L < + 0 0 0 -3,-1.6 -20,-0.2 1,-0.2 21,-0.2 -0.479 22.0 162.0 -65.7 122.9 14.4 9.4 -0.2 66 101 A T + 0 0 58 -22,-3.1 22,-3.0 1,-0.3 23,-1.8 0.669 62.5 41.3-112.4 -28.5 12.2 9.5 2.9 67 102 A S E -bc 45 89B 13 -23,-1.5 -21,-2.4 20,-0.2 2,-0.4 -0.991 62.0-179.0-128.6 127.2 9.2 7.3 1.9 68 103 A L E -bc 46 90B 0 21,-2.7 23,-2.9 -2,-0.4 2,-0.7 -0.949 6.1-174.5-136.0 110.3 9.4 4.1 -0.0 69 104 A N E +bc 47 91B 33 -23,-2.3 -21,-2.6 -2,-0.4 23,-0.2 -0.922 20.0 153.5-111.9 104.5 6.4 2.0 -1.0 70 105 A L + 0 0 0 21,-3.1 3,-0.3 -2,-0.7 5,-0.2 -0.094 23.9 157.9-117.2 28.3 7.4 -1.2 -2.7 71 106 A S + 0 0 13 1,-0.2 -21,-2.0 20,-0.1 -20,-0.2 -0.280 59.4 10.8 -57.6 138.3 4.2 -3.1 -1.7 72 107 A N S S+ 0 0 91 21,-3.0 -20,-0.5 -23,-0.2 -21,-0.4 0.961 93.8 116.5 57.9 64.6 3.2 -6.2 -3.7 73 108 A N S S- 0 0 16 21,-1.3 -19,-0.1 -3,-0.3 -1,-0.1 -0.405 73.8-103.8-131.8-155.9 6.2 -6.8 -5.9 74 109 A Q + 0 0 68 -21,-3.0 2,-0.2 -2,-0.2 21,-0.1 -0.119 54.2 157.5-133.0 37.2 8.7 -9.7 -6.0 75 110 A I + 0 0 0 -5,-0.2 21,-2.7 19,-0.2 -20,-0.2 -0.435 16.9 174.7 -75.5 133.6 11.7 -8.3 -4.2 76 111 A T + 0 0 87 -22,-0.9 22,-0.5 1,-0.3 23,-0.4 0.591 67.9 37.9-109.5 -15.7 14.2 -10.8 -2.6 77 112 A D + 0 0 76 -23,-0.3 -21,-0.5 20,-0.1 -1,-0.3 -0.994 46.0 178.8-146.3 124.7 16.9 -8.5 -1.4 78 113 A I > + 0 0 0 21,-0.4 3,-2.0 -2,-0.4 4,-0.4 0.180 48.0 117.8-112.6 22.6 16.7 -5.1 0.2 79 114 A S G > + 0 0 38 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.852 66.7 65.5 -59.1 -36.3 20.5 -4.6 0.8 80 115 A P G 3 S+ 0 0 13 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.722 95.1 60.4 -62.2 -15.4 20.6 -1.6 -1.5 81 116 A I G X S+ 0 0 0 -3,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.643 81.0 88.7 -77.1 -15.9 18.3 0.3 1.0 82 117 A Q T < S+ 0 0 47 -3,-1.9 -1,-0.2 -4,-0.4 -3,-0.1 0.760 84.9 48.0 -67.1 -24.5 20.8 0.0 3.9 83 118 A Y T 3 S+ 0 0 164 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.376 82.6 103.8-100.7 17.6 22.7 3.1 3.2 84 119 A L X + 0 0 3 -3,-2.2 3,-1.1 1,-0.2 -1,-0.1 -0.735 45.8 178.2 -95.5 97.8 19.7 5.4 2.8 85 120 A P T 3 + 0 0 64 0, 0.0 23,-0.4 0, 0.0 -1,-0.2 0.667 68.6 59.5 -83.4 -18.2 19.7 7.2 6.1 86 121 A N T 3 S+ 0 0 67 -23,-0.4 2,-0.3 -21,-0.2 -22,-0.0 0.395 71.6 121.2 -89.7 -0.1 16.7 9.5 5.6 87 122 A V < + 0 0 0 -3,-1.1 21,-0.2 1,-0.2 -20,-0.2 -0.524 23.5 159.6 -66.1 122.0 14.1 6.7 5.0 88 123 A T + 0 0 47 -22,-3.0 22,-2.4 -2,-0.3 23,-2.1 0.587 62.9 45.7-115.9 -17.0 11.4 7.0 7.6 89 124 A K E +cd 67 111B 77 -23,-1.8 -21,-2.7 21,-0.2 2,-0.4 -0.991 61.4 177.6-135.5 123.3 8.5 5.1 6.0 90 125 A L E -cd 68 112B 0 21,-2.4 23,-2.7 -2,-0.4 2,-0.7 -0.965 9.5-170.7-133.9 111.9 9.0 1.7 4.4 91 126 A F E +cd 69 113B 44 -23,-2.9 -21,-3.1 -2,-0.4 23,-0.1 -0.916 22.6 152.4-110.1 105.8 6.2 -0.3 2.8 92 127 A L + 0 0 0 21,-3.1 3,-0.3 -2,-0.7 5,-0.2 0.087 19.1 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