==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 13-AUG-02 1MFT . COMPND 2 MOLECULE: FOUR-HELIX BUNDLE MODEL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.J.LAHR,S.E.STAYROOK,B.NORTH,J.KAPLAN,S.GEREMIA,W.DEGRADO . 102 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 84.3 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 80.4 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+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 0 0 0 0 0 0 0 0 0 0 2 2 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 2 A D > 0 0 157 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 4.5 10.1 -10.2 -3.5 2 3 A Y H > + 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.923 360.0 49.3 -58.9 -52.9 7.7 -7.6 -2.1 3 4 A L H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 110.0 54.3 -56.3 -38.3 6.2 -9.6 0.8 4 5 A R H > S+ 0 0 167 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 112.6 41.8 -60.2 -49.9 9.8 -10.5 1.8 5 6 A E H X S+ 0 0 71 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.837 112.8 53.3 -69.1 -33.6 10.9 -6.9 2.0 6 7 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.929 108.0 52.9 -64.7 -44.2 7.6 -5.8 3.6 7 8 A Y H X S+ 0 0 47 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.909 108.9 46.8 -58.3 -49.1 8.2 -8.4 6.3 8 9 A K H X S+ 0 0 88 -4,-1.9 4,-3.0 1,-0.2 3,-0.4 0.939 109.7 55.0 -59.9 -47.0 11.7 -7.3 7.2 9 10 A L H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.874 106.1 51.8 -53.8 -40.6 10.6 -3.6 7.3 10 11 A E H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.840 111.5 47.3 -66.8 -33.5 7.9 -4.6 9.9 11 12 A Q H X S+ 0 0 95 -4,-1.5 4,-1.8 -3,-0.4 -2,-0.2 0.914 111.6 48.7 -74.0 -43.2 10.5 -6.3 12.0 12 13 A Q H X S+ 0 0 94 -4,-3.0 4,-1.9 2,-0.2 3,-0.2 0.936 113.7 49.0 -59.8 -45.6 13.0 -3.4 11.8 13 14 A A H X S+ 0 0 5 -4,-2.7 4,-2.6 -5,-0.3 3,-0.4 0.956 107.9 53.2 -57.0 -52.9 10.1 -1.2 12.7 14 15 A M H X S+ 0 0 58 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.784 108.3 51.3 -53.7 -32.8 9.1 -3.4 15.6 15 16 A K H X S+ 0 0 132 -4,-1.8 4,-2.1 -3,-0.2 -1,-0.3 0.885 111.4 46.9 -74.1 -38.5 12.6 -3.2 17.0 16 17 A L H X S+ 0 0 48 -4,-1.9 4,-2.1 -3,-0.4 -2,-0.2 0.871 113.1 47.3 -72.1 -38.3 12.7 0.6 16.8 17 18 A Y H X S+ 0 0 2 -4,-2.6 4,-3.9 2,-0.2 5,-0.2 0.878 112.2 49.6 -72.3 -36.8 9.3 1.1 18.5 18 19 A R H X S+ 0 0 144 -4,-1.6 4,-2.9 -5,-0.3 5,-0.2 0.991 115.8 42.8 -62.2 -57.3 10.1 -1.3 21.3 19 20 A E H X S+ 0 0 74 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.861 117.5 48.8 -53.7 -38.2 13.4 0.4 21.9 20 21 A A H X S+ 0 0 6 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.942 111.7 47.7 -68.5 -48.9 11.5 3.7 21.5 21 22 A S H < S+ 0 0 0 -4,-3.9 -2,-0.2 1,-0.2 -3,-0.2 0.931 110.2 52.5 -56.1 -51.2 8.7 2.8 23.9 22 23 A E H < S+ 0 0 95 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 112.1 43.5 -55.3 -42.5 11.0 1.5 26.6 23 24 A K H < S+ 0 0 132 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.796 89.5 108.7 -75.7 -29.3 13.2 4.7 26.7 24 25 A A < + 0 0 13 -4,-1.8 -3,-0.0 1,-0.2 -4,-0.0 -0.226 40.4 176.3 -51.6 127.8 10.1 6.9 26.6 25 26 A R + 0 0 241 5,-0.0 -1,-0.2 0, 0.0 3,-0.1 0.427 56.5 89.7-114.0 -6.6 9.6 8.5 30.0 26 27 A N S > S- 0 0 73 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.846 74.6-142.9 -91.1 122.6 6.6 10.6 29.0 27 28 A P H > S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.933 97.5 47.6 -49.0 -56.2 3.5 8.4 29.7 28 29 A E H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.927 111.3 49.7 -52.7 -54.7 1.6 9.7 26.6 29 30 A K H >> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.955 110.5 51.1 -49.3 -57.5 4.5 9.2 24.2 30 31 A K H 3X S+ 0 0 66 -4,-2.5 4,-2.9 1,-0.3 5,-0.3 0.887 106.6 53.7 -48.1 -49.6 5.0 5.7 25.5 31 32 A S H 3X S+ 0 0 76 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.859 111.2 48.1 -56.2 -36.2 1.4 4.8 25.0 32 33 A V H X S+ 0 0 54 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.875 109.6 53.5 -63.4 -37.9 -1.4 -10.4 8.4 47 48 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.899 103.8 54.8 -64.4 -38.6 1.5 -10.8 6.0 48 49 A E H 3< S+ 0 0 117 -4,-1.8 3,-0.5 1,-0.3 -1,-0.2 0.726 98.2 67.5 -64.4 -20.0 2.0 -14.4 7.1 49 50 A T H << S+ 0 0 96 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.802 114.4 26.1 -68.0 -30.9 -1.7 -14.7 6.1 50 51 A I << 0 0 19 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.104 360.0 360.0-121.1 20.2 -0.7 -14.2 2.5 51 52 A N 0 0 104 -3,-0.5 -3,-0.1 -4,-0.2 -47,-0.0 -0.014 360.0 360.0 -80.2 360.0 2.9 -15.5 2.6 52 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 53 2 B D > 0 0 156 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -83.6 16.4 11.6 16.5 54 3 B Y H > + 0 0 101 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.808 360.0 50.7 -65.9 -29.8 14.8 8.3 17.3 55 4 B L H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.821 107.4 51.0 -77.3 -34.0 11.6 9.9 16.1 56 5 B R H > S+ 0 0 144 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.891 111.5 48.9 -69.2 -38.9 13.1 11.1 12.9 57 6 B E H X S+ 0 0 84 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.915 111.0 49.3 -66.2 -41.2 14.4 7.6 12.3 58 7 B L H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.902 110.9 51.5 -62.5 -40.6 10.9 6.2 13.1 59 8 B Y H X S+ 0 0 71 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.960 108.2 50.3 -61.0 -53.3 9.5 8.7 10.6 60 9 B K H X S+ 0 0 139 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.908 109.6 52.1 -51.7 -46.5 11.9 7.7 7.9 61 10 B L H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.913 110.5 47.1 -57.0 -47.0 11.0 4.0 8.4 62 11 B E H X S+ 0 0 2 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.928 109.4 52.7 -61.7 -48.3 7.3 4.7 8.1 63 12 B Q H X S+ 0 0 70 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.903 112.9 46.2 -52.2 -46.1 7.7 6.8 5.0 64 13 B Q H X S+ 0 0 101 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.946 113.4 47.0 -63.0 -52.5 9.6 3.9 3.4 65 14 B A H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.883 113.8 50.7 -58.2 -37.5 7.1 1.3 4.5 66 15 B M H X S+ 0 0 30 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.955 111.9 45.5 -64.1 -49.9 4.4 3.6 3.2 67 16 B K H X S+ 0 0 127 -4,-2.9 4,-1.0 -5,-0.2 -1,-0.2 0.716 115.3 49.1 -66.1 -23.1 6.1 4.0 -0.1 68 17 B L H X S+ 0 0 37 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.868 110.8 46.2 -86.8 -38.6 6.7 0.2 -0.3 69 18 B Y H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.834 107.8 59.7 -71.0 -32.8 3.2 -0.9 0.5 70 19 B R H X S+ 0 0 95 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.948 110.0 41.1 -59.4 -51.0 1.8 1.6 -2.0 71 20 B E H X S+ 0 0 67 -4,-1.0 4,-1.9 1,-0.2 5,-0.2 0.966 116.3 49.7 -60.0 -56.8 3.8 0.0 -4.9 72 21 B A H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.862 112.0 46.0 -52.8 -45.5 3.1 -3.6 -3.7 73 22 B S H < S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.928 110.2 54.7 -67.4 -42.6 -0.7 -3.1 -3.3 74 23 B E H < S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.851 115.6 38.5 -57.1 -38.2 -1.0 -1.3 -6.7 75 24 B K H < S+ 0 0 141 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.753 87.6 112.7 -87.5 -24.6 0.7 -4.2 -8.5 76 25 B A < - 0 0 18 -4,-1.9 -3,-0.0 -5,-0.2 6,-0.0 -0.245 41.4-176.0 -52.0 125.2 -0.9 -7.1 -6.5 77 26 B R + 0 0 200 5,-0.0 -1,-0.2 4,-0.0 3,-0.0 0.722 60.6 88.3 -96.0 -27.8 -3.3 -9.0 -8.8 78 27 B N S > S- 0 0 88 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.596 74.3-144.4 -71.1 129.4 -4.6 -11.4 -6.1 79 28 B P H > S+ 0 0 108 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.868 98.4 50.1 -61.9 -39.5 -7.6 -9.6 -4.6 80 29 B E H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.886 111.7 47.6 -67.0 -41.7 -6.9 -10.9 -1.1 81 30 B K H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 113.3 49.2 -67.2 -40.2 -3.3 -9.9 -1.3 82 31 B K H X S+ 0 0 61 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.930 109.8 49.1 -65.4 -47.6 -4.2 -6.4 -2.5 83 32 B S H X S+ 0 0 48 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.897 113.3 48.4 -61.9 -38.5 -6.9 -5.7 0.1 84 33 B V H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.971 114.3 44.7 -63.6 -54.1 -4.4 -6.8 2.9 85 34 B L H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.914 114.3 48.5 -57.0 -48.1 -1.6 -4.6 1.5 86 35 B Q H X S+ 0 0 90 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.910 112.4 50.8 -59.2 -42.1 -3.9 -1.6 1.0 87 36 B K H X S+ 0 0 73 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.905 109.1 48.4 -63.2 -45.0 -5.3 -2.1 4.5 88 37 B I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.876 107.3 59.8 -63.2 -34.6 -1.8 -2.2 6.1 89 38 B L H X S+ 0 0 11 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.879 98.2 55.4 -59.2 -43.5 -1.0 1.0 4.1 90 39 B E H X S+ 0 0 122 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.906 108.5 51.7 -56.5 -40.3 -3.8 2.9 5.8 91 40 B D H X S+ 0 0 21 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.946 108.4 48.1 -61.3 -50.4 -2.1 1.9 9.0 92 41 B E H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.945 111.1 50.3 -58.3 -48.6 1.3 3.2 7.9 93 42 B E H X S+ 0 0 69 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.921 111.8 49.8 -54.8 -44.0 -0.1 6.5 6.7 94 43 B K H X S+ 0 0 68 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.902 106.2 54.9 -61.2 -42.7 -1.9 6.8 10.1 95 44 B H H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.884 105.5 54.2 -58.6 -38.4 1.4 6.0 12.0 96 45 B I H X S+ 0 0 15 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.929 110.6 44.8 -61.9 -45.4 3.0 8.9 10.1 97 46 B E H X S+ 0 0 115 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.897 111.4 53.4 -64.9 -41.8 0.2 11.3 11.3 98 47 B W H X S+ 0 0 75 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.884 109.3 49.3 -59.5 -38.7 0.5 9.9 14.8 99 48 B L H < S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 110.1 51.4 -70.6 -31.2 4.2 10.6 14.7 100 49 B E H < S+ 0 0 109 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.804 115.0 42.2 -75.8 -29.5 3.6 14.1 13.5 101 50 B T H < S+ 0 0 103 -4,-1.9 2,-1.5 -5,-0.1 -2,-0.2 0.738 80.4 95.6 -95.4 -24.4 1.1 14.9 16.3 102 51 B I < 0 0 40 -4,-1.7 -1,-0.1 -5,-0.2 -4,-0.0 -0.528 360.0 360.0 -75.7 94.0 2.4 13.5 19.6 103 52 B N 0 0 168 -2,-1.5 -2,-0.1 -74,-0.0 -3,-0.0 -0.886 360.0 360.0 163.5 360.0 4.1 16.6 21.0