==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 04-AUG-04 1U7M . COMPND 2 MOLECULE: FOUR-HELIX BUNDLE MODEL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.MAGLIO,F.NASTRI,J.R.CALHOUN,S.LAHR,V.PAVONE,W.F.DEGRADO, . 106 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 82.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 69.8 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+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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 1 A M 0 0 202 0, 0.0 3,-0.4 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 -62.3 6.9 21.9 -1.8 2 2 A D > + 0 0 88 1,-0.2 3,-0.9 2,-0.1 4,-0.3 0.044 360.0 122.7 -88.4 25.0 9.0 18.6 -1.4 3 3 A Y T >> + 0 0 64 1,-0.2 4,-1.8 2,-0.1 3,-1.0 0.607 42.4 95.9 -63.3 -14.0 6.2 16.8 0.6 4 4 A L H 3> S+ 0 0 30 -3,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.817 81.3 53.3 -52.9 -37.4 5.9 13.8 -1.9 5 5 A R H <> S+ 0 0 130 -3,-0.9 4,-2.3 2,-0.2 -1,-0.3 0.859 106.8 52.3 -64.8 -38.7 8.4 11.7 0.2 6 6 A E H <> S+ 0 0 122 -3,-1.0 4,-1.8 -4,-0.3 -2,-0.2 0.913 112.0 45.5 -66.8 -42.8 6.3 12.1 3.3 7 7 A L H X S+ 0 0 10 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.966 113.0 50.3 -60.8 -54.5 3.1 11.0 1.5 8 8 A Y H X S+ 0 0 31 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.853 109.5 51.9 -52.8 -44.1 4.9 8.0 -0.1 9 9 A K H X S+ 0 0 153 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.924 113.0 42.3 -64.4 -44.3 6.3 6.9 3.3 10 10 A L H X S+ 0 0 47 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.904 113.1 54.7 -68.3 -37.8 2.9 6.9 5.0 11 11 A E H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.879 113.4 43.0 -53.8 -40.2 1.5 5.3 1.8 12 12 A Q H X S+ 0 0 90 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.755 104.7 62.2 -84.6 -23.0 4.2 2.5 2.4 13 13 A Q H X S+ 0 0 112 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.894 107.9 44.5 -68.5 -36.9 3.7 2.2 6.2 14 14 A A H X S+ 0 0 1 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.945 113.6 52.1 -64.9 -44.6 0.1 1.1 5.4 15 15 A M H X S+ 0 0 42 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.883 108.7 48.8 -60.7 -41.1 1.6 -1.2 2.6 16 16 A K H X S+ 0 0 123 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.884 114.7 46.0 -68.1 -37.5 4.2 -2.8 5.1 17 17 A L H >X S+ 0 0 56 -4,-1.6 4,-2.4 -5,-0.2 3,-1.2 0.935 111.0 53.0 -62.1 -47.1 1.3 -3.4 7.6 18 18 A Y H 3X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.810 97.1 66.4 -61.7 -32.7 -0.8 -4.8 4.7 19 19 A R H 3< S+ 0 0 207 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.819 113.5 32.4 -53.7 -35.7 2.0 -7.3 3.7 20 20 A E H XX S+ 0 0 125 -3,-1.2 4,-1.6 -4,-0.6 3,-1.2 0.787 109.0 65.1 -96.7 -35.1 1.3 -9.0 7.1 21 21 A A H 3X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.3 -2,-0.2 0.890 96.4 61.3 -51.6 -40.9 -2.4 -8.3 7.3 22 22 A S H 3< S+ 0 0 24 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.769 102.0 51.6 -56.6 -30.8 -2.6 -10.6 4.1 23 23 A E H X4 S+ 0 0 153 -3,-1.2 3,-0.9 -4,-0.2 -1,-0.2 0.913 113.3 41.9 -75.8 -43.2 -1.2 -13.5 6.3 24 24 A K H 3< S+ 0 0 129 -4,-1.6 3,-0.4 1,-0.3 -2,-0.2 0.885 109.6 60.8 -68.6 -34.6 -3.8 -13.1 9.1 25 25 A A T 3< + 0 0 3 -4,-2.8 6,-0.4 1,-0.2 -1,-0.3 -0.002 65.5 134.2 -75.8 25.6 -6.5 -12.5 6.4 26 26 A R < + 0 0 193 -3,-0.9 -1,-0.2 -2,-0.2 -2,-0.1 0.718 40.9 100.5 -52.3 -25.7 -5.7 -16.1 5.0 27 27 A N S >> S- 0 0 100 -3,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.505 81.7-131.2 -62.2 125.8 -9.5 -16.7 4.8 28 28 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.657 102.3 62.1 -68.4 -16.2 -10.4 -16.2 1.1 29 29 A E T >4 S+ 0 0 111 2,-0.2 3,-1.0 1,-0.1 -4,-0.0 0.973 113.9 35.1 -66.4 -51.6 -13.4 -13.8 1.8 30 30 A K G X>>S+ 0 0 73 -3,-0.5 3,-2.4 1,-0.2 4,-2.4 0.914 111.2 64.0 -64.7 -43.6 -11.0 -11.3 3.5 31 31 A K G 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 -6,-0.4 -2,-0.2 0.354 105.8 45.4 -69.9 7.5 -8.2 -12.3 0.9 32 32 A S G <45S+ 0 0 87 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.168 115.3 46.9-126.6 13.0 -10.5 -10.9 -1.9 33 33 A V T <>5S+ 0 0 42 -3,-2.4 4,-0.9 2,-0.1 3,-0.4 0.701 116.3 38.4-118.7 -48.6 -11.4 -7.6 0.0 34 34 A L H X5S+ 0 0 16 -4,-2.4 4,-2.8 1,-0.2 -3,-0.2 0.719 109.4 69.4 -72.0 -16.6 -8.0 -6.4 1.3 35 35 A Q H > S+ 0 0 97 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.866 111.6 47.4 -70.0 -33.6 -8.6 -4.8 -4.1 37 37 A I H X S+ 0 0 5 -4,-0.9 4,-2.8 2,-0.2 3,-0.4 0.987 110.7 52.6 -61.9 -57.9 -7.0 -2.2 -1.7 38 38 A L H X S+ 0 0 37 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.842 111.2 46.3 -48.2 -43.1 -3.5 -3.9 -2.2 39 39 A E H X S+ 0 0 91 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.886 119.5 40.1 -69.8 -38.1 -3.9 -3.7 -6.1 40 40 A D H X S+ 0 0 38 -4,-1.7 4,-1.0 -3,-0.4 -2,-0.2 0.794 115.6 52.8 -68.8 -34.3 -5.1 0.0 -5.9 41 41 A E H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.848 107.0 49.4 -88.7 -32.5 -2.5 0.8 -3.1 42 42 A E H X S+ 0 0 121 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.845 105.2 63.0 -60.9 -37.1 0.5 -0.5 -5.1 43 43 A K H X S+ 0 0 82 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.852 98.3 53.7 -61.2 -35.4 -0.9 1.6 -8.0 44 44 A H H >X S+ 0 0 0 -4,-1.0 4,-3.0 2,-0.2 3,-0.6 0.977 108.9 47.3 -63.9 -56.9 -0.3 4.8 -5.9 45 45 A I H 3X S+ 0 0 28 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.860 108.0 58.9 -42.9 -44.3 3.4 3.9 -5.3 46 46 A E H 3X S+ 0 0 104 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.894 113.1 36.6 -59.1 -40.1 3.6 3.2 -9.1 47 47 A W H + 0 0 76 2,-0.1 4,-0.8 1,-0.1 -1,-0.1 0.453 39.1 79.4-111.4 -3.5 -5.2 -5.2 14.0 58 4 B L H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.881 86.9 55.6 -90.0 -36.6 -7.8 -3.3 11.9 59 5 B R H > S+ 0 0 188 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 105.2 59.0 -55.8 -37.4 -7.8 0.2 13.5 60 6 B E H > S+ 0 0 118 -4,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.865 109.7 41.3 -60.4 -39.5 -4.0 0.1 12.8 61 7 B L H X S+ 0 0 12 -4,-0.8 4,-2.5 -3,-0.4 -2,-0.2 0.977 116.1 47.9 -69.0 -58.1 -4.7 -0.3 9.0 62 8 B Y H X S+ 0 0 36 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.828 109.6 52.4 -55.8 -43.5 -7.6 2.2 8.8 63 9 B K H X S+ 0 0 140 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.947 112.6 43.0 -66.8 -45.8 -5.9 5.0 10.7 64 10 B L H X S+ 0 0 20 -4,-1.1 4,-1.3 -5,-0.2 -2,-0.2 0.897 112.3 56.8 -63.0 -38.4 -2.7 4.9 8.5 65 11 B E H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.890 113.0 39.8 -54.2 -42.5 -5.1 4.6 5.5 66 12 B Q H X S+ 0 0 76 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.763 104.8 64.8 -85.6 -23.8 -6.8 7.9 6.6 67 13 B Q H X S+ 0 0 84 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.800 105.0 48.2 -66.8 -25.3 -3.6 9.7 7.6 68 14 B A H X S+ 0 0 2 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.956 110.6 49.9 -74.1 -51.0 -2.7 9.5 3.9 69 15 B M H X S+ 0 0 30 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.879 113.4 46.7 -50.5 -43.6 -6.2 10.9 2.9 70 16 B K H X S+ 0 0 154 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.868 111.6 50.1 -72.0 -34.0 -5.7 13.8 5.4 71 17 B L H X S+ 0 0 27 -4,-1.4 4,-3.1 -5,-0.2 -2,-0.2 0.911 107.5 55.8 -62.2 -40.3 -2.2 14.3 4.1 72 18 B Y H X S+ 0 0 6 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.829 104.4 53.2 -64.4 -33.1 -3.8 14.4 0.6 73 19 B R H X S+ 0 0 192 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.936 115.0 39.3 -61.1 -50.0 -6.2 17.2 1.8 74 20 B E H X S+ 0 0 91 -4,-1.5 4,-1.4 2,-0.2 3,-0.3 0.911 114.1 53.3 -74.0 -40.3 -3.3 19.4 2.9 75 21 B A H X S+ 0 0 4 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.880 104.2 58.6 -56.6 -38.8 -1.1 18.5 -0.0 76 22 B S H < S+ 0 0 38 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.859 100.8 55.2 -62.0 -34.6 -4.1 19.6 -2.2 77 23 B E H >< S+ 0 0 150 -4,-1.1 3,-0.6 -3,-0.3 -1,-0.2 0.914 116.6 36.5 -63.0 -41.8 -4.0 23.1 -0.7 78 24 B K H 3< S+ 0 0 108 -4,-1.4 2,-0.4 1,-0.2 3,-0.3 0.909 113.8 57.1 -73.8 -43.7 -0.3 23.4 -1.7 79 25 B A T 3< + 0 0 7 -4,-3.2 6,-0.5 1,-0.2 -1,-0.2 -0.026 65.8 138.5 -77.7 27.0 -0.7 21.5 -5.1 80 26 B R < + 0 0 207 -3,-0.6 -1,-0.2 -2,-0.4 -2,-0.1 0.628 36.8 106.5 -56.1 -18.3 -3.4 24.0 -6.2 81 27 B N S > S- 0 0 85 -3,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.442 81.5-123.8 -58.8 134.4 -1.9 23.9 -9.8 82 28 B P H > S+ 0 0 94 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.714 104.2 63.9 -66.0 -22.3 -4.3 21.9 -12.1 83 29 B E H >4 S+ 0 0 130 2,-0.2 3,-0.5 1,-0.1 -3,-0.0 0.986 116.7 26.7 -59.1 -61.8 -1.6 19.4 -13.2 84 30 B K H >> S+ 0 0 94 -3,-0.3 4,-2.7 1,-0.2 3,-2.2 0.888 115.1 65.3 -70.1 -38.9 -1.1 18.0 -9.7 85 31 B K H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 -6,-0.5 -2,-0.2 0.696 106.7 43.9 -60.1 -18.7 -4.7 18.8 -8.6 86 32 B S T << S+ 0 0 76 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.260 115.9 47.7-108.0 9.4 -6.0 16.3 -11.2 87 33 B V T X> S+ 0 0 64 -3,-2.2 4,-1.0 2,-0.1 3,-0.6 0.718 111.5 44.8-114.6 -43.9 -3.4 13.6 -10.4 88 34 B L H 3X S+ 0 0 18 -4,-2.7 4,-2.5 1,-0.2 -3,-0.1 0.751 104.3 68.8 -72.7 -19.0 -3.6 13.5 -6.5 89 35 B Q H 3> S+ 0 0 104 -5,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.832 95.6 52.8 -66.3 -32.6 -7.5 13.5 -6.9 90 36 B K H <> S+ 0 0 103 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.938 110.7 46.1 -72.1 -42.6 -7.4 10.0 -8.4 91 37 B I H X S+ 0 0 4 -4,-1.0 4,-2.7 2,-0.2 5,-0.2 0.941 111.5 54.2 -58.9 -46.7 -5.4 8.6 -5.4 92 38 B L H X S+ 0 0 37 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.914 110.5 45.0 -53.1 -46.5 -7.9 10.6 -3.2 93 39 B E H X S+ 0 0 128 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.892 112.4 51.4 -69.2 -37.1 -10.9 8.8 -4.9 94 40 B D H X S+ 0 0 12 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.885 111.6 47.7 -61.3 -40.6 -9.1 5.4 -4.6 95 41 B E H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.916 108.1 53.8 -71.5 -38.7 -8.5 6.0 -0.9 96 42 B E H X S+ 0 0 123 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.890 106.8 54.5 -59.7 -36.0 -12.2 7.1 -0.4 97 43 B K H X S+ 0 0 117 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.933 109.4 46.1 -59.2 -47.2 -13.0 3.7 -2.0 98 44 B H H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.904 110.7 52.8 -63.3 -42.3 -10.9 1.9 0.6 99 45 B I H X S+ 0 0 20 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.875 106.5 53.5 -64.6 -37.9 -12.4 3.9 3.4 100 46 B E H X S+ 0 0 109 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.943 113.7 42.1 -56.9 -48.2 -16.0 2.9 2.2 101 47 B W H X S+ 0 0 76 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.899 110.5 56.1 -69.8 -40.4 -14.9 -0.8 2.4 102 48 B L H X S+ 0 0 12 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.892 110.3 46.4 -55.9 -41.9 -13.1 -0.4 5.7 103 49 B E H < S+ 0 0 124 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.927 110.8 51.5 -65.9 -45.3 -16.4 1.0 7.2 104 50 B T H < S+ 0 0 116 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.780 115.2 44.0 -59.1 -27.7 -18.4 -1.9 5.6 105 51 B I H < S+ 0 0 56 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.648 92.4 99.9 -96.8 -18.5 -15.9 -4.3 7.2 106 52 B N < 0 0 75 -4,-1.4 -3,-0.0 -3,-0.3 -4,-0.0 -0.380 360.0 360.0 -67.0 145.8 -15.7 -2.6 10.7 107 53 B G 0 0 135 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.053 360.0 360.0 179.5 360.0 -17.8 -4.2 13.5