==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 21-SEP-11 3TWE . COMPND 2 MOLECULE: ALPHA4H; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.C.BUER,J.L.MEAGHER,J.A.STUCKEY,E.N.G.MARSH . 51 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 86.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 84.3 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 1 1 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 G > 0 0 82 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 122.6 40.1 22.3 25.4 2 2 A N H > + 0 0 152 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.875 360.0 46.8 -53.5 -49.0 42.7 24.4 23.5 3 3 A A H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 115.3 46.9 -63.2 -42.9 45.1 21.6 22.6 4 4 A D H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.927 113.7 48.6 -65.0 -42.6 42.3 19.3 21.3 5 5 A E H X S+ 0 0 92 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.908 112.8 47.4 -65.7 -36.8 40.8 22.3 19.4 6 6 A L H X S+ 0 0 92 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.931 109.5 54.3 -68.7 -40.2 44.1 23.1 17.8 7 7 A Y H X S+ 0 0 43 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.915 110.5 46.4 -58.7 -45.2 44.7 19.4 17.0 8 8 A K H X S+ 0 0 77 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.885 111.4 50.7 -66.8 -41.0 41.3 19.3 15.1 9 9 A E H X S+ 0 0 109 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.926 110.7 48.5 -65.1 -40.5 42.0 22.6 13.3 10 10 A L H X S+ 0 0 26 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.872 108.6 54.9 -65.9 -34.1 45.4 21.3 12.1 11 11 A E H X S+ 0 0 75 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.908 106.5 51.6 -64.4 -39.4 43.7 18.1 11.0 12 12 A D H X S+ 0 0 88 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.919 111.0 46.8 -62.5 -42.8 41.3 20.1 8.9 13 13 A L H X S+ 0 0 74 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.920 111.2 52.1 -65.5 -39.9 44.2 22.0 7.3 14 14 A Q H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.918 110.4 48.3 -59.8 -42.6 46.0 18.7 6.7 15 15 A E H X S+ 0 0 47 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.852 107.1 55.6 -68.5 -34.7 42.9 17.3 5.0 16 16 A R H X S+ 0 0 176 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.915 109.4 47.3 -63.4 -41.1 42.5 20.4 2.8 17 17 A L H X S+ 0 0 25 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.900 109.5 53.8 -67.6 -38.5 46.1 19.9 1.6 18 18 A R H X S+ 0 0 114 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.922 111.6 45.5 -59.0 -42.2 45.3 16.2 1.0 19 19 A K H X S+ 0 0 115 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.869 108.9 54.7 -72.9 -33.2 42.3 17.2 -1.2 20 20 A L H X S+ 0 0 73 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.902 106.4 52.6 -64.5 -40.1 44.3 19.9 -3.0 21 21 A R H X S+ 0 0 40 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.927 109.0 49.9 -59.1 -43.4 46.9 17.2 -4.0 22 22 A K H >X S+ 0 0 114 -4,-1.7 4,-2.0 1,-0.2 3,-0.5 0.927 109.4 51.2 -61.9 -42.2 44.0 15.0 -5.3 23 23 A K H 3< S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 106.2 55.2 -64.2 -35.9 42.7 18.1 -7.4 24 24 A L H 3< S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 111.6 43.9 -64.9 -31.0 46.2 18.6 -8.9 25 25 A R H << 0 0 179 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.809 360.0 360.0 -81.1 -34.2 46.1 15.0 -10.1 26 26 A S < 0 0 138 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.994 360.0 360.0 -66.5 360.0 42.5 15.2 -11.4 27 !* 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 28 2 B N > 0 0 164 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 149.2 54.6 23.7 -11.9 29 3 B A H > + 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.857 360.0 48.6 -53.8 -41.0 52.0 21.1 -10.8 30 4 B D H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 113.5 45.4 -69.8 -39.3 54.7 18.6 -9.7 31 5 B E H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 116.5 46.9 -65.8 -45.1 56.7 21.3 -7.6 32 6 B L H X S+ 0 0 80 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.928 110.9 51.9 -63.0 -45.0 53.5 22.6 -6.1 33 7 B Y H X S+ 0 0 31 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.930 109.3 49.7 -58.1 -47.6 52.3 19.0 -5.4 34 8 B K H X S+ 0 0 128 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.887 111.3 49.1 -61.7 -40.1 55.6 18.1 -3.6 35 9 B E H X S+ 0 0 92 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.926 110.1 51.0 -65.9 -42.8 55.4 21.3 -1.5 36 10 B L H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.901 110.7 48.9 -61.6 -41.0 51.7 20.6 -0.5 37 11 B E H X S+ 0 0 83 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.881 109.7 51.3 -68.0 -36.1 52.6 17.1 0.6 38 12 B D H X S+ 0 0 65 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 111.3 48.0 -67.4 -38.0 55.5 18.3 2.7 39 13 B L H X S+ 0 0 70 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.907 110.8 51.8 -65.8 -38.7 53.2 20.9 4.4 40 14 B Q H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.917 110.3 48.3 -62.9 -42.3 50.6 18.1 5.0 41 15 B E H X S+ 0 0 73 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.881 109.0 53.7 -66.8 -36.4 53.3 15.9 6.5 42 16 B R H X S+ 0 0 148 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.906 108.5 49.2 -66.1 -37.5 54.5 18.8 8.7 43 17 B L H X S+ 0 0 24 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.909 109.7 51.3 -66.9 -40.8 50.9 19.3 10.0 44 18 B R H X S+ 0 0 96 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 111.4 48.6 -60.8 -41.1 50.6 15.5 10.7 45 19 B K H X S+ 0 0 115 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.886 110.1 50.5 -67.7 -35.5 53.9 15.8 12.7 46 20 B L H X S+ 0 0 90 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.902 109.8 51.0 -68.3 -38.1 52.7 18.8 14.7 47 21 B R H X S+ 0 0 27 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.900 107.8 52.5 -64.5 -39.3 49.5 17.0 15.5 48 22 B K H X S+ 0 0 154 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.897 109.6 50.0 -62.2 -39.4 51.6 14.0 16.7 49 23 B K H < S+ 0 0 143 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.900 106.5 54.1 -66.1 -39.0 53.6 16.5 19.0 50 24 B L H < S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.905 111.2 47.3 -60.0 -40.0 50.3 17.9 20.4 51 25 B R H < 0 0 183 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.791 360.0 360.0 -66.7 -38.2 49.3 14.3 21.3 52 26 B S < 0 0 123 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.762 360.0 360.0 -64.2 360.0 52.8 13.6 22.9