==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN INHIBITOR 01-FEB-08 2K0D . COMPND 2 MOLECULE: COLICIN-E7 IMMUNITY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.M.FIGUEIREDO,S.B.WHITTAKER,S.E.KNOWLING,C.A.SPRONK, . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 53.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 0 0 0 0 0 0 0 0 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 X E 0 0 140 0, 0.0 2,-0.5 0, 0.0 16,-0.2 0.000 360.0 360.0 360.0 152.1 60.2 3.0 8.0 2 3 X L - 0 0 76 14,-0.1 2,-0.1 15,-0.1 12,-0.1 -0.709 360.0-171.0 -91.8 129.7 61.7 5.5 5.6 3 4 X K - 0 0 29 -2,-0.5 3,-0.1 10,-0.1 -1,-0.0 -0.146 28.6-121.0 -95.9-165.5 63.9 8.2 7.1 4 5 X N S S+ 0 0 140 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.719 88.8 26.4-109.3 -33.9 65.3 11.2 5.4 5 6 X S S > S- 0 0 59 1,-0.0 3,-1.5 38,-0.0 4,-0.3 -0.820 80.7-110.1-127.2 166.6 69.0 10.6 5.8 6 7 X I G > S+ 0 0 4 37,-0.4 3,-0.7 -2,-0.3 85,-0.3 0.712 110.1 72.2 -65.4 -18.0 71.4 7.6 6.4 7 8 X S G 3 S+ 0 0 58 1,-0.3 -1,-0.3 83,-0.2 82,-0.1 0.558 95.4 46.8 -83.6 -9.6 71.9 8.8 9.9 8 9 X D G < S+ 0 0 66 -3,-1.5 2,-0.6 83,-0.1 -1,-0.3 0.450 93.4 101.0-104.4 -1.0 68.4 7.9 11.2 9 10 X Y < - 0 0 0 -3,-0.7 82,-3.1 -4,-0.3 2,-0.2 -0.702 57.8-160.7 -90.3 120.0 68.7 4.5 9.6 10 11 X T B > -a 91 0A 7 -2,-0.6 4,-2.5 80,-0.3 5,-0.2 -0.460 39.4-100.2 -83.0 170.4 69.6 1.7 11.7 11 12 X E H > S+ 0 0 127 80,-0.6 4,-2.6 1,-0.2 5,-0.2 0.963 126.7 41.7 -58.3 -46.1 71.0 -1.3 10.1 12 13 X A H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 114.0 51.6 -70.1 -38.2 67.6 -3.1 10.3 13 14 X E H > S+ 0 0 48 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.868 111.9 48.5 -64.8 -32.9 65.7 0.1 9.3 14 15 X F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.925 109.6 50.1 -71.4 -43.6 68.0 0.4 6.4 15 16 X V H X S+ 0 0 15 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.814 105.0 59.9 -62.8 -29.0 67.4 -3.3 5.5 16 17 X Q H X S+ 0 0 62 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.936 108.9 42.5 -61.6 -45.9 63.7 -2.5 5.8 17 18 X L H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.934 113.1 53.7 -61.8 -47.2 64.2 0.1 3.0 18 19 X L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.828 107.5 50.3 -58.2 -37.6 66.4 -2.4 1.2 19 20 X K H X S+ 0 0 93 -4,-2.4 4,-2.5 2,-0.2 -1,-0.3 0.843 110.7 49.1 -70.6 -35.7 63.6 -5.0 1.4 20 21 X E H X S+ 0 0 70 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.883 110.8 50.0 -70.4 -36.7 61.2 -2.5 -0.0 21 22 X I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.922 111.2 49.9 -63.0 -41.7 63.7 -1.7 -2.8 22 23 X E H X S+ 0 0 73 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.942 112.6 48.6 -57.4 -47.6 63.9 -5.5 -3.3 23 24 X K H X S+ 0 0 99 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.934 114.7 41.3 -61.4 -52.7 60.1 -5.6 -3.4 24 25 X E H X>S+ 0 0 21 -4,-3.0 5,-1.9 1,-0.2 4,-1.2 0.778 115.0 53.4 -72.2 -25.6 59.6 -2.8 -5.9 25 26 X N H <5S+ 0 0 30 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.934 113.2 40.9 -73.3 -46.4 62.6 -4.0 -8.0 26 27 X V H <5S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.757 119.7 45.3 -74.8 -25.4 61.2 -7.5 -8.4 27 28 X A H <5S- 0 0 62 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.765 106.7-139.3 -81.3 -26.8 57.7 -6.2 -8.9 28 29 X A T <5 + 0 0 80 -4,-1.2 -3,-0.2 -5,-0.2 2,-0.1 0.995 39.4 160.8 63.0 68.4 59.1 -3.6 -11.2 29 30 X T < - 0 0 55 -5,-1.9 -1,-0.1 1,-0.1 -5,-0.0 -0.326 30.0-152.1 -99.5-171.7 57.2 -0.6 -10.3 30 31 X D S > S+ 0 0 112 -2,-0.1 4,-2.9 3,-0.1 5,-0.2 0.634 77.3 54.6-131.9 -44.8 58.2 3.0 -11.0 31 32 X D H > S+ 0 0 117 1,-0.2 4,-0.8 2,-0.2 5,-0.0 0.959 125.8 21.4 -64.8 -52.5 56.8 5.5 -8.5 32 33 X V H > S+ 0 0 57 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.830 120.2 62.1 -85.8 -30.4 58.2 4.1 -5.4 33 34 X L H > S+ 0 0 12 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.956 108.8 43.6 -59.1 -47.4 60.8 2.1 -7.2 34 35 X D H X S+ 0 0 91 -4,-2.9 4,-1.7 2,-0.2 -1,-0.3 0.775 112.9 53.5 -69.6 -26.9 62.3 5.3 -8.4 35 36 X V H X S+ 0 0 63 -4,-0.8 4,-3.4 -5,-0.2 -2,-0.2 0.981 113.0 42.0 -67.1 -50.3 61.8 6.8 -4.9 36 37 X L H X S+ 0 0 3 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.841 111.9 53.4 -68.6 -39.5 63.6 4.1 -3.2 37 38 X L H X S+ 0 0 11 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.950 117.9 37.1 -59.3 -49.2 66.4 3.9 -5.7 38 39 X E H X S+ 0 0 119 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.875 115.1 54.9 -70.6 -40.0 67.1 7.5 -5.5 39 40 X H H X S+ 0 0 18 -4,-3.4 4,-1.9 2,-0.2 5,-0.2 0.929 109.6 48.0 -59.6 -46.2 66.5 7.6 -1.8 40 41 X F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.4 0.942 114.4 44.4 -60.3 -53.0 68.9 4.9 -1.2 41 42 X V H X S+ 0 0 32 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.816 112.2 53.1 -66.6 -31.0 71.6 6.5 -3.3 42 43 X K H < S+ 0 0 111 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.852 114.8 40.3 -73.0 -33.6 71.1 9.9 -1.9 43 44 X I H < S+ 0 0 6 -4,-1.9 -37,-0.4 -5,-0.2 -2,-0.2 0.870 125.3 35.5 -84.1 -35.7 71.4 8.7 1.7 44 45 X T H < S- 0 0 0 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.836 89.8-153.4 -81.7 -34.7 74.3 6.3 1.1 45 46 X E < + 0 0 93 -4,-1.9 -3,-0.1 -5,-0.4 -4,-0.1 0.642 33.9 162.0 65.0 22.4 75.8 8.7 -1.5 46 47 X H > - 0 0 20 -6,-0.3 3,-1.8 1,-0.1 -1,-0.3 -0.527 41.9-138.9 -72.6 133.7 77.3 5.6 -3.1 47 48 X P T 3 S+ 0 0 98 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.736 108.1 40.8 -67.5 -17.9 78.3 6.3 -6.7 48 49 X D T 3> S+ 0 0 92 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.254 80.2 142.5-124.1 33.7 77.1 3.0 -7.7 49 50 X G H <> S+ 0 0 1 -3,-1.8 4,-1.1 1,-0.2 3,-0.3 0.930 78.8 30.8 -45.0 -56.2 74.0 3.3 -5.5 50 51 X T H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.780 110.5 65.0 -85.9 -18.3 71.7 1.7 -7.7 51 52 X A H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.860 102.4 53.8 -65.9 -31.6 74.3 -0.6 -9.3 52 53 X L H X S+ 0 0 8 -4,-2.4 4,-2.5 -3,-0.3 -1,-0.2 0.875 109.1 47.2 -66.9 -38.4 74.4 -2.0 -5.8 53 54 X I H X S+ 0 0 4 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.963 115.7 45.2 -66.6 -48.1 70.7 -2.6 -5.8 54 55 X Y H X S+ 0 0 112 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.869 115.4 45.0 -64.4 -40.7 70.9 -4.1 -9.2 55 56 X E H X S+ 0 0 75 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.903 108.1 58.8 -71.2 -36.9 73.9 -6.3 -8.4 56 57 X A H X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.881 106.7 48.8 -57.8 -39.3 72.4 -7.4 -5.1 57 58 X A H X S+ 0 0 32 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.944 115.4 42.5 -64.1 -47.9 69.4 -8.7 -7.0 58 59 X A H X S+ 0 0 61 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.904 113.7 52.4 -66.0 -40.5 71.6 -10.6 -9.5 59 60 X R H X S+ 0 0 72 -4,-3.6 4,-2.1 9,-0.2 10,-0.3 0.794 111.9 47.4 -64.5 -30.8 73.9 -11.7 -6.6 60 61 X A H < S+ 0 0 34 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.885 110.2 51.6 -75.3 -42.7 70.7 -13.0 -4.9 61 62 X A H < S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.913 123.3 29.6 -60.7 -46.0 69.5 -14.7 -8.1 62 63 X A H < S- 0 0 83 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.930 93.1-167.5 -77.4 -48.2 72.8 -16.5 -8.5 63 64 X N < + 0 0 87 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.983 14.2 175.0 54.9 88.3 73.6 -16.6 -4.8 64 65 X P S S- 0 0 113 0, 0.0 -4,-0.0 0, 0.0 3,-0.0 0.950 78.7 -10.2 -79.9 -66.2 77.3 -17.7 -4.3 65 66 X G S S- 0 0 61 2,-0.3 2,-2.5 1,-0.0 3,-0.1 -0.134 93.0-107.8-130.7 37.2 77.8 -17.4 -0.6 66 67 X G S > S+ 0 0 33 -7,-0.2 3,-2.3 1,-0.1 -3,-0.1 -0.359 85.4 110.0 76.2 -63.0 74.7 -15.7 0.6 67 68 X D T 3 S+ 0 0 106 -2,-2.5 -2,-0.3 1,-0.3 -1,-0.1 -0.185 87.8 11.6 -56.2 125.9 76.4 -12.3 1.4 68 69 X G T 3 S+ 0 0 2 2,-0.1 2,-1.4 1,-0.1 -1,-0.3 0.149 100.3 106.6 92.6 -16.6 75.3 -9.5 -0.9 69 70 X G S < S+ 0 0 17 -3,-2.3 -12,-0.1 -10,-0.3 3,-0.1 -0.544 81.5 17.3 -95.2 69.4 72.6 -11.7 -2.3 70 71 X G S > S- 0 0 11 -2,-1.4 3,-1.9 1,-0.1 4,-0.5 -0.802 100.4 -69.2 150.5 170.1 69.7 -10.0 -0.7 71 72 X P G >> S+ 0 0 14 0, 0.0 3,-1.5 0, 0.0 4,-1.2 0.874 124.2 59.2 -57.9 -40.1 68.6 -6.8 1.0 72 73 X E G 34 S+ 0 0 127 1,-0.3 4,-0.4 2,-0.2 -57,-0.1 0.513 104.3 52.9 -72.5 0.7 70.7 -7.5 4.0 73 74 X G G <> S+ 0 0 6 -3,-1.9 4,-0.9 -5,-0.2 -1,-0.3 0.509 96.7 63.3-109.7 -4.0 73.7 -7.5 1.9 74 75 X I H <> S+ 0 0 9 -3,-1.5 4,-2.0 -4,-0.5 3,-0.4 0.924 105.9 47.1 -78.1 -46.0 73.2 -4.2 0.2 75 76 X V H X S+ 0 0 9 -4,-1.2 4,-2.7 1,-0.3 5,-0.2 0.873 106.9 57.9 -56.5 -44.5 73.5 -2.5 3.6 76 77 X K H > S+ 0 0 84 -4,-0.4 4,-1.0 1,-0.2 -1,-0.3 0.840 106.6 47.9 -58.5 -35.9 76.6 -4.5 4.3 77 78 X E H X S+ 0 0 57 -4,-0.9 4,-1.5 -3,-0.4 -2,-0.2 0.902 112.5 50.0 -73.5 -38.5 78.2 -3.1 1.2 78 79 X I H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.883 102.6 59.7 -67.3 -39.5 77.2 0.4 2.2 79 80 X K H X S+ 0 0 97 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.887 107.6 45.8 -61.6 -38.3 78.5 0.2 5.7 80 81 X E H X S+ 0 0 122 -4,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.897 115.1 46.2 -72.3 -39.1 82.0 -0.5 4.5 81 82 X W H X S+ 0 0 63 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.933 113.2 48.5 -67.4 -47.1 82.0 2.3 1.9 82 83 X R H X>S+ 0 0 16 -4,-3.2 5,-3.3 1,-0.2 4,-1.5 0.923 115.3 45.4 -60.8 -45.1 80.5 4.8 4.2 83 84 X A H <5S+ 0 0 70 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.924 114.4 47.5 -64.1 -46.8 83.1 3.9 6.9 84 85 X A H <5S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 112.8 48.6 -63.8 -39.9 86.0 3.9 4.4 85 86 X N H <5S- 0 0 90 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.806 115.7-120.5 -69.0 -29.0 84.9 7.2 2.9 86 87 X G T <5 + 0 0 65 -4,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.767 63.6 143.2 90.8 32.5 84.7 8.5 6.5 87 88 X K < - 0 0 58 -5,-3.3 2,-0.3 -6,-0.2 -1,-0.3 -0.755 60.3-100.2-104.8 147.9 81.1 9.3 6.2 88 89 X P - 0 0 88 0, 0.0 -82,-0.1 0, 0.0 3,-0.1 -0.536 50.4-179.9 -68.0 122.6 78.5 8.9 9.0 89 90 X G - 0 0 22 -2,-0.3 -80,-0.2 1,-0.3 -10,-0.1 0.335 36.3 -13.9 -96.8-129.0 76.6 5.7 8.3 90 91 X F - 0 0 35 1,-0.1 -1,-0.3 -82,-0.1 -80,-0.3 -0.241 58.8-133.1 -78.2 158.1 73.9 3.9 10.1 91 92 X K B -a 10 0A 78 -82,-3.1 -80,-0.6 -85,-0.3 2,-0.4 -0.533 21.6-107.4-101.9 175.2 72.7 4.6 13.5 92 93 X Q 0 0 167 -2,-0.2 -82,-0.1 -82,-0.2 -1,-0.0 -0.818 360.0 360.0-105.8 144.3 72.0 2.2 16.2 93 94 X G 0 0 121 -2,-0.4 -81,-0.1 -84,-0.0 -82,-0.1 -0.943 360.0 360.0 163.7 360.0 68.5 1.4 17.3