==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 28-MAY-08 3DA4 . COMPND 2 MOLECULE: COLICIN-M; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ZETH,R.ALBRECHT,C.ROMER,V.BRAUN . 540 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 14.1 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 . 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 . 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 . 39 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 4 0 0 2 0 2 0 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 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 2 0 0 0 0 4 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 . 0 0 4 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 A E 0 0 234 0, 0.0 249,-0.1 0, 0.0 247,-0.0 0.000 360.0 360.0 360.0-115.8 5.9 26.6 8.3 2 3 A T - 0 0 46 247,-0.1 2,-0.3 1,-0.1 247,-0.3 -0.264 360.0-117.3 -69.1 152.8 5.2 25.6 4.8 3 4 A L B -a 249 0A 49 245,-3.5 247,-2.9 1,-0.0 2,-0.5 -0.732 20.3-122.2 -95.9 145.1 3.0 22.5 4.3 4 5 A T - 0 0 99 -2,-0.3 2,-0.6 245,-0.2 247,-0.1 -0.718 18.1-157.4 -86.9 125.5 4.2 19.4 2.6 5 6 A V - 0 0 2 -2,-0.5 68,-0.1 245,-0.5 62,-0.0 -0.886 27.7-117.1 -97.6 129.4 2.3 18.3 -0.4 6 7 A H - 0 0 103 -2,-0.6 3,-0.1 1,-0.1 131,-0.1 -0.383 32.6-104.4 -64.2 138.9 2.8 14.7 -1.0 7 8 A A - 0 0 2 1,-0.1 -1,-0.1 129,-0.1 5,-0.1 -0.383 49.4 -92.2 -52.2 142.7 4.5 13.9 -4.2 8 9 A P + 0 0 0 0, 0.0 105,-3.0 0, 0.0 106,-0.6 -0.415 64.4 156.2 -58.0 136.4 1.9 12.6 -6.6 9 10 A S >> - 0 0 13 103,-0.3 4,-3.4 100,-0.2 3,-1.9 -0.945 57.1-112.5-160.2 146.7 1.9 8.9 -6.3 10 11 A P T 34 S+ 0 0 57 0, 0.0 101,-0.1 0, 0.0 102,-0.1 0.835 118.5 57.3 -52.6 -30.2 -0.7 6.4 -7.1 11 12 A S T 34 S+ 0 0 118 1,-0.2 99,-0.1 99,-0.1 101,-0.1 0.625 121.1 23.4 -77.3 -14.5 -0.9 5.7 -3.3 12 13 A T T <4 S+ 0 0 31 -3,-1.9 -1,-0.2 -5,-0.1 65,-0.2 0.536 97.0 106.2-126.2 -20.6 -1.7 9.3 -2.5 13 14 A N S < S- 0 0 17 -4,-3.4 61,-0.1 98,-0.1 60,-0.1 -0.314 71.2-118.8 -64.5 148.6 -3.2 10.7 -5.6 14 15 A L - 0 0 10 59,-0.5 -2,-0.1 2,-0.1 -1,-0.1 -0.485 28.4-111.5 -73.6 156.6 -6.8 11.3 -5.7 15 16 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 94,-0.2 0.648 98.7 27.2 -53.4 -19.5 -8.6 9.3 -8.4 16 17 A S S > S- 0 0 38 93,-0.1 3,-2.1 92,-0.1 5,-0.1 -0.999 87.4 -97.6-155.1 146.1 -9.1 12.6 -10.1 17 18 A Y G > S+ 0 0 6 -2,-0.3 3,-2.2 1,-0.3 5,-0.3 -0.400 118.7 12.0 -55.9 137.5 -7.9 16.1 -10.7 18 19 A G G >> S- 0 0 0 56,-0.3 3,-2.5 1,-0.3 4,-0.9 0.715 125.6 -82.0 64.2 20.3 -9.9 18.3 -8.3 19 20 A N G <4 S- 0 0 67 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.812 79.6 -69.8 47.4 32.5 -11.1 15.1 -6.6 20 21 A G G <4 S+ 0 0 55 -3,-2.2 -1,-0.3 2,-0.4 -2,-0.2 0.389 126.6 99.6 71.3 -5.4 -13.6 15.1 -9.5 21 22 A A T <4 S+ 0 0 87 -3,-2.5 2,-0.3 1,-0.2 -2,-0.2 0.785 93.4 18.5 -81.3 -32.3 -15.3 18.1 -8.0 22 23 A F S < S- 0 0 37 -4,-0.9 -2,-0.4 -5,-0.3 2,-0.3 -0.961 70.7-163.9-136.3 159.8 -13.6 20.4 -10.4 23 24 A S - 0 0 73 -2,-0.3 2,-0.7 -3,-0.1 -5,-0.1 -0.917 31.1-106.9-134.9 158.6 -11.8 19.8 -13.6 24 25 A L + 0 0 7 -2,-0.3 2,-0.3 54,-0.0 25,-0.1 -0.824 65.4 132.1 -86.4 120.1 -9.4 21.8 -15.7 25 26 A S - 0 0 29 -2,-0.7 3,-0.1 24,-0.1 -2,-0.0 -0.970 59.2 -66.0-164.3 165.8 -11.5 22.9 -18.6 26 27 A A - 0 0 8 -2,-0.3 14,-0.1 1,-0.1 3,-0.1 -0.216 65.4 -84.9 -61.6 147.4 -12.3 25.9 -20.6 27 28 A P - 0 0 79 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.095 44.1-106.5 -41.4 142.4 -14.2 28.8 -19.0 28 29 A H - 0 0 156 -3,-0.1 -3,-0.0 7,-0.1 7,-0.0 -0.750 34.9-160.2 -71.3 110.2 -17.9 28.6 -19.0 29 30 A V > - 0 0 78 -2,-0.9 3,-1.9 4,-0.2 4,-0.3 -0.888 17.8-133.8 -93.8 110.4 -18.9 31.1 -21.6 30 31 A P T 3 S+ 0 0 99 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.407 88.2 14.9 -69.0 140.5 -22.5 31.9 -20.8 31 32 A G T 3 S+ 0 0 88 -2,-0.1 -3,-0.0 1,-0.1 -2,-0.0 0.446 97.8 102.9 75.0 -1.3 -24.7 31.9 -23.8 32 33 A A S < S- 0 0 66 -3,-1.9 -1,-0.1 1,-0.3 -4,-0.0 0.507 81.6-137.1 -85.9 -2.9 -22.0 30.1 -25.8 33 34 A G + 0 0 45 -4,-0.3 -1,-0.3 2,-0.0 -4,-0.2 -0.301 56.2 1.6 77.3-166.1 -24.0 26.9 -25.4 34 35 A P S S- 0 0 111 0, 0.0 2,-0.4 0, 0.0 -6,-0.0 -0.121 81.4-105.7 -55.2 143.0 -22.5 23.5 -24.5 35 36 A L - 0 0 81 4,-0.1 2,-0.3 -9,-0.0 -7,-0.1 -0.605 41.7-158.6 -70.8 123.6 -18.7 23.4 -24.0 36 37 A L >> - 0 0 107 -2,-0.4 4,-1.8 -3,-0.1 3,-1.0 -0.826 26.6-114.1-108.5 151.6 -17.3 21.7 -27.0 37 38 A V H 3> S+ 0 0 90 -2,-0.3 4,-4.7 1,-0.3 5,-0.2 0.765 111.6 64.3 -53.8 -34.8 -14.0 20.0 -27.2 38 39 A Q H 3> S+ 0 0 119 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.927 106.4 43.6 -59.5 -45.4 -12.6 22.6 -29.6 39 40 A V H <> S+ 0 0 67 -3,-1.0 4,-3.3 2,-0.2 -1,-0.2 0.949 118.4 44.0 -59.2 -50.2 -12.9 25.3 -27.0 40 41 A V H X S+ 0 0 14 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.927 113.3 51.5 -67.2 -41.2 -11.5 23.0 -24.3 41 42 A Y H X S+ 0 0 76 -4,-4.7 4,-1.4 1,-0.2 57,-0.4 0.921 113.6 43.8 -57.8 -50.0 -8.8 21.8 -26.6 42 43 A S H X S+ 0 0 59 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.871 111.6 55.3 -63.9 -38.9 -7.8 25.4 -27.4 43 44 A F H >< S+ 0 0 15 -4,-3.3 3,-1.2 -5,-0.2 6,-0.8 0.942 105.4 51.2 -59.3 -45.2 -8.1 26.2 -23.8 44 45 A F H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.5 52.5 -63.8 -29.1 -5.7 23.5 -22.9 45 46 A Q H 3< S+ 0 0 76 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.681 100.4 84.9 -73.7 -19.5 -3.3 24.8 -25.4 46 47 A S S XX S- 0 0 22 -3,-1.2 3,-1.8 -4,-0.8 4,-0.6 -0.501 87.1-122.0 -90.9 155.3 -3.6 28.2 -23.8 47 48 A P H >> S+ 0 0 43 0, 0.0 4,-2.3 0, 0.0 3,-1.0 0.788 108.2 76.3 -56.5 -26.8 -1.7 29.6 -20.9 48 49 A N H 3> S+ 0 0 91 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.783 84.3 60.5 -60.4 -24.7 -5.1 30.0 -19.4 49 50 A M H <> S+ 0 0 0 -3,-1.8 4,-2.4 -6,-0.8 -1,-0.3 0.892 107.9 45.0 -68.7 -33.6 -5.3 26.3 -18.7 50 51 A C H < - 0 0 27 -4,-2.5 3,-0.9 -5,-0.4 6,-0.2 0.236 19.3-107.2 101.1 137.7 -7.2 25.5 3.7 66 67 A A T 3 S+ 0 0 18 1,-0.3 -1,-0.1 -5,-0.2 6,-0.1 0.854 120.9 48.7 -62.2 -37.0 -3.7 24.8 2.5 67 68 A S T 3 S+ 0 0 79 -6,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.482 81.3 119.9 -87.5 -4.0 -3.1 22.4 5.3 68 69 A N <> - 0 0 51 -3,-0.9 4,-2.8 1,-0.2 3,-0.4 -0.469 67.9-135.6 -61.1 122.4 -6.4 20.5 4.6 69 70 A P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.874 106.5 50.0 -51.3 -40.3 -5.4 17.0 3.7 70 71 A L H > S+ 0 0 48 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.884 108.5 52.2 -64.5 -40.3 -7.7 17.0 0.8 71 72 A T H > S+ 0 0 0 -3,-0.4 4,-3.3 -6,-0.2 -1,-0.2 0.942 111.0 47.8 -58.1 -50.9 -6.3 20.3 -0.4 72 73 A L H X S+ 0 0 31 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.900 113.0 47.7 -55.3 -43.3 -2.9 18.7 -0.2 73 74 A Q H X S+ 0 0 79 -4,-2.4 4,-3.7 -5,-0.3 -59,-0.5 0.907 112.8 49.5 -67.2 -39.5 -4.1 15.7 -2.1 74 75 A I H X S+ 0 0 0 -4,-3.3 4,-3.5 2,-0.2 5,-0.4 0.915 112.0 47.2 -65.6 -44.0 -5.8 17.9 -4.7 75 76 A I H X S+ 0 0 2 -4,-3.3 4,-3.3 2,-0.2 5,-0.4 0.992 117.0 43.7 -58.5 -57.3 -2.6 19.9 -5.1 76 77 A S H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.945 119.7 42.4 -52.2 -50.9 -0.6 16.8 -5.4 77 78 A T H X S+ 0 0 0 -4,-3.7 4,-1.9 -5,-0.2 -1,-0.2 0.937 116.4 46.2 -65.1 -48.0 -3.1 15.1 -7.7 78 79 A N H X S+ 0 0 2 -4,-3.5 4,-1.5 1,-0.2 -1,-0.2 0.914 114.0 47.8 -65.0 -43.0 -3.8 18.2 -9.8 79 80 A I H X S+ 0 0 0 -4,-3.3 4,-3.0 -5,-0.4 -1,-0.2 0.910 106.0 59.7 -64.3 -38.7 -0.2 19.0 -10.2 80 81 A G H X S+ 0 0 0 -4,-2.6 4,-3.9 -5,-0.4 5,-0.3 0.902 100.5 57.1 -50.2 -43.2 0.4 15.3 -11.1 81 82 A Y H X S+ 0 0 26 -4,-1.9 4,-3.2 1,-0.2 -1,-0.2 0.941 109.5 43.9 -55.5 -44.5 -2.0 15.9 -13.9 82 83 A F H X S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-0.2 0.899 113.8 49.4 -69.5 -39.2 0.3 18.6 -15.1 83 84 A C H X S+ 0 0 2 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.924 113.7 47.4 -62.4 -43.8 3.3 16.5 -14.6 84 85 A N H X S+ 0 0 0 -4,-3.9 4,-2.1 -5,-0.2 -2,-0.2 0.945 115.3 44.7 -61.2 -48.2 1.7 13.7 -16.4 85 86 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.3 -2,-0.2 0.903 114.1 49.0 -61.9 -44.0 0.6 16.0 -19.2 86 87 A D H X S+ 0 0 2 -4,-3.4 4,-3.5 1,-0.2 5,-0.2 0.905 108.3 54.4 -67.3 -38.0 3.9 17.6 -19.4 87 88 A R H X S+ 0 0 7 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.936 109.6 47.7 -53.3 -47.2 5.6 14.3 -19.4 88 89 A N H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.878 112.2 49.6 -67.5 -37.5 3.5 13.3 -22.4 89 90 A L H < S+ 0 0 6 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.894 112.5 47.1 -66.6 -44.0 4.3 16.6 -24.0 90 91 A V H < S+ 0 0 13 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.937 116.6 43.9 -61.2 -42.2 8.0 16.1 -23.4 91 92 A L H < S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.847 127.6 30.1 -71.8 -31.1 7.8 12.6 -24.7 92 93 A H S >< S- 0 0 60 -4,-2.3 3,-1.7 -5,-0.2 -1,-0.3 -0.596 83.4-165.3-130.0 68.2 5.7 13.5 -27.6 93 94 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.225 72.5 35.6 -59.7 143.9 6.6 17.0 -28.6 94 95 A G T 3 S+ 0 0 83 1,-0.5 2,-0.2 -5,-0.1 -5,-0.1 0.349 84.6 121.2 98.9 -7.1 4.1 18.6 -30.9 95 96 A I S < S- 0 0 53 -3,-1.7 -1,-0.5 -6,-0.2 2,-0.1 -0.537 71.9-101.3 -83.4 155.9 1.0 17.0 -29.4 96 97 A S > - 0 0 8 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.427 21.7-121.5 -73.8 161.5 -1.5 19.4 -28.1 97 98 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 114.2 60.1 -67.8 -38.7 -1.7 20.0 -24.4 98 99 A Y H > S+ 0 0 39 -57,-0.4 4,-2.1 1,-0.2 5,-0.2 0.940 110.0 42.0 -57.0 -46.3 -5.2 18.8 -24.5 99 100 A D H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.930 115.3 46.8 -65.4 -48.1 -4.0 15.5 -25.8 100 101 A A H < S+ 0 0 1 -4,-2.6 -12,-0.2 1,-0.2 -1,-0.2 0.809 117.7 46.9 -62.1 -30.9 -1.0 15.1 -23.6 101 102 A Y H < S+ 0 0 8 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.852 120.5 32.2 -81.4 -35.8 -3.2 16.1 -20.7 102 103 A H H < S+ 0 0 56 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.708 114.8 53.2-102.7 -23.0 -6.2 13.9 -21.4 103 104 A F S < S+ 0 0 112 -4,-2.6 2,-0.2 -5,-0.2 -1,-0.2 -0.517 70.2 159.5-148.7 79.3 -4.8 10.8 -23.0 104 105 A A - 0 0 14 2,-0.3 3,-0.1 -3,-0.2 -19,-0.1 -0.558 29.6-159.9 54.1 80.5 -2.6 10.0 -20.8 105 106 A K S S+ 0 0 121 -2,-0.2 2,-0.1 2,-0.2 -2,-0.1 -0.580 87.6 53.8 50.9 75.9 -1.7 7.0 -20.9 106 107 A P S S- 0 0 47 0, 0.0 -2,-0.3 0, 0.0 5,-0.1 0.673 112.6-106.1 -79.0 155.4 -0.5 6.6 -18.1 107 108 A A > - 0 0 42 1,-0.1 3,-1.7 -2,-0.1 -2,-0.2 -0.212 20.7-137.0 -51.5 126.8 -3.5 7.8 -16.2 108 109 A P G > S+ 0 0 14 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.835 105.8 58.7 -56.1 -33.3 -2.7 11.3 -14.7 109 110 A S G 3 S+ 0 0 14 1,-0.3 -100,-0.2 -94,-0.2 -96,-0.1 0.703 103.0 54.1 -69.7 -16.4 -4.3 10.2 -11.4 110 111 A Q G < S+ 0 0 92 -3,-1.7 -1,-0.3 -95,-0.1 -99,-0.1 0.372 80.3 140.5 -93.5 2.4 -1.7 7.4 -11.4 111 112 A Y < - 0 0 2 -3,-1.6 2,-0.6 -102,-0.2 -98,-0.1 -0.221 35.6-165.1 -54.0 126.7 1.0 10.0 -11.8 112 113 A D > - 0 0 33 -103,-0.2 4,-2.6 1,-0.2 5,-0.3 -0.914 6.9-167.4-118.9 103.8 3.9 9.0 -9.7 113 114 A Y H > S+ 0 0 1 -105,-3.0 4,-3.3 -2,-0.6 -1,-0.2 0.926 84.4 53.8 -57.8 -50.1 6.3 11.9 -9.3 114 115 A R H 4 S+ 0 0 132 -106,-0.6 -1,-0.2 1,-0.2 -105,-0.1 0.900 121.9 29.9 -53.0 -44.4 9.1 9.9 -7.8 115 116 A S H 4 S+ 0 0 40 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.743 132.1 33.5 -87.3 -23.0 9.2 7.4 -10.6 116 117 A M H < S+ 0 0 19 -4,-2.6 -3,-0.2 296,-0.1 -2,-0.2 0.606 77.9 120.8-114.0 -15.7 7.9 9.7 -13.4 117 118 A N < - 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