==== 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 01-JUL-02 1M3W . COMPND 2 MOLECULE: H10H24; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.S.HUANG,B.R.GIBNEY,S.E.STAYROOK,P.L.DUTTON,M.LEWIS . 120 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 90.0 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 . 8 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 83.3 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 0 0 0 0 0 4 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 G >> 0 0 88 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-141.5 -2.4 32.4 -11.8 2 3 A G H 3> + 0 0 32 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.758 360.0 71.3 -62.6 -24.8 -1.5 33.3 -8.2 3 4 A G H 3> S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 104.0 37.8 -58.3 -48.7 -4.6 35.4 -8.0 4 5 A E H <> S+ 0 0 96 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.922 116.9 52.4 -68.7 -44.4 -7.0 32.5 -7.9 5 6 A I H X S+ 0 0 16 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.902 108.6 51.3 -55.9 -46.3 -4.6 30.4 -5.8 6 7 A W H X S+ 0 0 98 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.960 110.4 47.8 -56.9 -52.7 -4.4 33.2 -3.3 7 8 A K H X S+ 0 0 129 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.863 110.1 53.0 -58.0 -38.0 -8.2 33.5 -3.0 8 9 A L H X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.910 112.6 43.9 -65.9 -40.3 -8.5 29.8 -2.6 9 10 A H H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.890 110.6 54.1 -71.4 -37.9 -6.0 29.7 0.3 10 11 A E H X S+ 0 0 77 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.822 107.3 54.7 -65.2 -28.9 -7.5 32.8 1.9 11 12 A E H X S+ 0 0 63 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.874 112.1 39.6 -70.2 -42.1 -10.8 30.9 1.8 12 13 A F H X S+ 0 0 5 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.724 109.3 60.7 -82.5 -20.5 -9.6 27.8 3.6 13 14 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.963 109.3 44.6 -66.7 -47.4 -7.5 29.8 6.0 14 15 A K H X S+ 0 0 124 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.920 113.8 49.0 -62.9 -46.7 -10.8 31.5 7.1 15 16 A K H X S+ 0 0 71 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.942 110.5 51.1 -59.5 -45.8 -12.6 28.1 7.2 16 17 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.861 108.3 52.0 -61.1 -35.0 -9.8 26.6 9.3 17 18 A E H X S+ 0 0 87 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.873 108.3 51.2 -69.7 -35.8 -10.0 29.5 11.7 18 19 A E H X S+ 0 0 110 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.903 109.9 51.0 -64.6 -41.1 -13.7 29.0 12.1 19 20 A L H X S+ 0 0 25 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.944 113.0 43.5 -62.1 -50.5 -13.1 25.3 12.8 20 21 A L H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.949 114.9 50.1 -58.6 -50.1 -10.4 26.1 15.5 21 22 A K H X S+ 0 0 122 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.808 111.9 48.5 -56.6 -37.1 -12.7 28.8 17.0 22 23 A L H X S+ 0 0 58 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.906 108.4 55.1 -70.8 -43.3 -15.5 26.3 17.0 23 24 A H H X S+ 0 0 16 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.974 111.1 41.1 -54.8 -61.7 -13.4 23.6 18.6 24 25 A E H X S+ 0 0 17 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.762 111.0 61.2 -61.2 -23.1 -12.3 25.7 21.6 25 26 A E H >X S+ 0 0 82 -4,-0.8 4,-2.1 -5,-0.3 3,-1.0 0.974 109.4 38.7 -66.6 -54.5 -15.9 27.1 21.8 26 27 A R H 3< S+ 0 0 83 -4,-2.4 4,-0.4 1,-0.3 -2,-0.2 0.772 108.2 65.0 -66.2 -25.1 -17.4 23.6 22.4 27 28 A L H 3< S+ 0 0 15 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.791 108.4 40.8 -68.3 -25.9 -14.4 22.7 24.6 28 29 A K H << S+ 0 0 146 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.916 106.4 59.5 -85.1 -49.9 -15.7 25.4 27.0 29 30 A K < 0 0 158 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.563 360.0 360.0 -55.1 -5.9 -19.4 24.7 26.7 30 31 A M 0 0 113 -4,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 0.836 360.0 360.0-105.9 360.0 -18.2 21.3 28.0 31 !* 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 32 2 B G 0 0 78 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-157.2 2.5 24.4 -10.9 33 3 B G >> - 0 0 51 1,-0.1 3,-1.5 3,-0.1 4,-1.0 -0.222 360.0 -82.6 -74.9 166.1 6.0 25.8 -11.1 34 4 B G H 3> S+ 0 0 60 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.480 124.4 69.8 -47.6 -2.3 8.1 27.0 -8.1 35 5 B E H >> S+ 0 0 135 2,-0.2 3,-1.0 1,-0.1 4,-1.0 0.934 98.5 45.4 -80.8 -50.7 6.2 30.3 -8.3 36 6 B I H <> S+ 0 0 40 -3,-1.5 4,-1.8 1,-0.3 -2,-0.2 0.733 105.3 66.8 -62.6 -22.3 2.9 28.8 -7.1 37 7 B W H 3X S+ 0 0 63 -4,-1.0 4,-2.7 2,-0.2 -1,-0.3 0.867 91.4 58.7 -67.8 -37.3 5.0 27.0 -4.4 38 8 B K H > 0 0 88 0, 0.0 4,-1.7 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0-145.5 -13.9 13.3 31.6 64 3 C G H 3> + 0 0 32 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.754 360.0 71.3 -61.9 -23.8 -11.4 12.3 28.9 65 4 C G H 3> S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 103.9 37.7 -58.9 -48.2 -14.1 10.3 27.2 66 5 C E H <> S+ 0 0 95 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.928 116.8 52.2 -69.3 -46.0 -16.0 13.4 26.1 67 6 C I H X S+ 0 0 16 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.941 108.8 51.6 -55.3 -47.2 -12.8 15.3 25.4 68 7 C W H X S+ 0 0 94 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.941 110.3 47.2 -56.0 -52.0 -11.5 12.5 23.2 69 8 C K H X S+ 0 0 129 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.881 110.5 53.3 -58.4 -39.4 -14.7 12.3 21.1 70 9 C L H X S+ 0 0 3 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.910 112.7 43.6 -63.5 -42.8 -14.7 16.0 20.7 71 10 C H H X S+ 0 0 4 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.879 110.9 53.4 -70.4 -39.3 -11.1 16.0 19.4 72 11 C E H X S+ 0 0 76 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.883 107.6 54.9 -63.3 -31.4 -11.7 13.0 17.2 73 12 C E H X S+ 0 0 64 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.867 112.1 39.9 -68.2 -42.1 -14.6 14.9 15.7 74 13 C F H X S+ 0 0 6 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.662 109.4 60.2 -83.2 -17.5 -12.6 17.9 14.7 75 14 C L H X S+ 0 0 9 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.910 109.1 44.8 -70.4 -45.9 -9.7 15.8 13.6 76 15 C K H X S+ 0 0 127 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.939 113.9 49.2 -62.1 -48.8 -12.0 14.3 11.1 77 16 C K H X S+ 0 0 71 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.927 110.4 51.1 -57.6 -46.0 -13.5 17.7 10.1 78 17 C F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.864 108.2 51.7 -62.2 -35.0 -10.0 19.1 9.7 79 18 C E H X S+ 0 0 91 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.885 108.6 51.6 -69.7 -35.2 -9.0 16.2 7.4 80 19 C E H X S+ 0 0 108 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 109.7 50.8 -64.8 -40.4 -12.1 16.8 5.3 81 20 C L H X S+ 0 0 26 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.937 113.2 43.2 -62.6 -49.4 -11.1 20.4 5.0 82 21 C L H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.946 114.6 50.5 -60.8 -49.3 -7.5 19.6 3.9 83 22 C K H X S+ 0 0 126 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.867 111.7 48.9 -56.9 -37.7 -8.8 17.0 1.5 84 23 C L H X S+ 0 0 59 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.898 108.1 54.8 -70.5 -42.6 -11.3 19.5 0.1 85 24 C H H X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.966 110.8 41.8 -56.0 -59.4 -8.6 22.1 -0.3 86 25 C E H X S+ 0 0 17 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.757 110.8 60.9 -61.9 -22.0 -6.2 20.0 -2.4 87 26 C E H >X S+ 0 0 82 -4,-1.0 4,-2.2 -5,-0.3 3,-1.2 0.985 109.4 39.0 -67.9 -54.9 -9.2 18.7 -4.3 88 27 C R H 3< S+ 0 0 85 -4,-2.5 4,-0.4 1,-0.3 -2,-0.2 0.789 108.2 64.6 -64.8 -26.9 -10.2 22.2 -5.5 89 28 C L H 3< S+ 0 0 14 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.791 108.5 41.0 -67.8 -25.1 -6.5 23.0 -6.0 90 29 C K H << S+ 0 0 148 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.910 106.4 59.1 -86.5 -49.7 -6.5 20.3 -8.7 91 30 C K < 0 0 159 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.569 360.0 360.0 -55.3 -6.7 -9.9 21.2 -10.2 92 31 C M 0 0 114 -4,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 0.839 360.0 360.0-103.4 360.0 -8.1 24.5 -10.8 93 !* 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 94 2 D G 0 0 74 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-157.3 -9.0 21.2 33.3 95 3 D G >> - 0 0 50 1,-0.1 3,-1.5 3,-0.1 4,-1.0 -0.225 360.0 -83.1 -73.7 165.6 -6.0 19.7 35.2 96 4 D G H 3> S+ 0 0 61 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.418 124.2 70.2 -49.0 0.1 -2.8 18.5 33.6 97 5 D E H >> S+ 0 0 138 2,-0.2 3,-1.1 1,-0.1 4,-0.9 0.909 98.3 45.4 -81.7 -51.0 -4.6 15.2 32.8 98 6 D I H <> S+ 0 0 42 -3,-1.5 4,-1.8 1,-0.3 -2,-0.2 0.729 105.1 66.9 -62.2 -22.6 -6.8 16.8 30.1 99 7 D W H 3X S+ 0 0 63 -4,-1.0 4,-2.6 1,-0.2 -1,-0.3 0.856 91.4 58.7 -67.7 -36.0 -3.7 18.4 28.9 100 8 D K H