==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 20-OCT-98 1BYZ . COMPND 2 MOLECULE: PROTEIN (SYNTHETIC DESIGNED PEPTIDE "ALPHA-1"); . AUTHOR G.G.PRIVE,D.H.ANDERSON,L.WESSON,D.CASCIO,D.EISENBERG . 48 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 66.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 66.7 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 4 0 0 0 0 0 0 0 0 0 0 0 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 1 101 A E > 0 0 145 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.6 5.4 -3.4 21.0 2 102 A L H > + 0 0 84 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 360.0 47.2 -58.2 -42.4 3.9 -1.0 18.4 3 103 A L H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.912 110.5 51.8 -66.8 -38.5 2.0 -3.9 16.9 4 104 A K H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.930 112.2 47.1 -60.8 -43.7 0.8 -5.0 20.3 5 105 A K H X S+ 0 0 126 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.920 113.9 46.4 -65.4 -41.9 -0.4 -1.5 21.1 6 106 A L H X S+ 0 0 63 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.906 112.3 49.7 -68.7 -40.6 -2.2 -1.1 17.7 7 107 A L H X S+ 0 0 34 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.908 109.9 52.7 -62.7 -38.1 -3.9 -4.5 17.9 8 108 A E H X S+ 0 0 72 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.894 109.0 49.7 -62.9 -38.4 -5.0 -3.6 21.5 9 109 A E H < S+ 0 0 149 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.928 110.2 49.7 -65.7 -43.0 -6.5 -0.3 20.1 10 110 A L H < S+ 0 0 125 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 109.3 52.8 -62.2 -37.7 -8.4 -2.2 17.3 11 111 A K H < 0 0 36 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.872 360.0 360.0 -63.8 -38.2 -9.7 -4.7 19.9 12 112 A G < 0 0 97 -4,-1.8 -1,-0.1 -5,-0.2 -2,-0.1 -0.058 360.0 360.0 72.4 360.0 -11.0 -1.7 22.0 13 !* 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 14 201 B E > 0 0 136 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -35.9 -16.4 -10.7 20.9 15 202 B L H > + 0 0 148 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.894 360.0 46.3 -59.4 -40.4 -15.2 -13.1 18.1 16 203 B L H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.871 108.5 55.4 -69.4 -36.9 -13.1 -10.3 16.7 17 204 B K H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.934 108.8 48.8 -58.7 -43.7 -11.8 -9.4 20.2 18 205 B K H X S+ 0 0 99 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.921 112.1 47.9 -62.2 -44.9 -10.6 -13.0 20.6 19 206 B L H X S+ 0 0 91 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.948 113.4 47.6 -59.4 -48.0 -8.9 -13.0 17.1 20 207 B L H X S+ 0 0 16 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.883 108.7 53.0 -64.2 -39.4 -7.2 -9.6 17.8 21 208 B E H X S+ 0 0 76 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.864 109.3 50.3 -64.8 -32.8 -6.0 -10.6 21.3 22 209 B E H < S+ 0 0 145 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.891 109.5 49.7 -71.3 -38.6 -4.4 -13.8 19.8 23 210 B L H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.892 112.4 49.7 -64.0 -36.6 -2.6 -11.7 17.1 24 211 B K H < 0 0 65 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.905 360.0 360.0 -64.1 -45.4 -1.4 -9.4 19.9 25 212 B G < 0 0 97 -4,-2.1 -1,-0.1 -5,-0.2 -2,-0.1 -0.131 360.0 360.0 79.1 360.0 -0.2 -12.4 21.9 26 !* 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 27 301 C E > 0 0 117 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -33.7 1.4 -8.7 4.7 28 302 C L H > + 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.932 360.0 47.7 -59.3 -45.5 2.7 -6.2 7.3 29 303 C L H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 109.9 52.8 -61.5 -43.6 4.6 -9.0 9.0 30 304 C K H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.931 109.2 49.3 -55.8 -46.6 6.0 -10.2 5.6 31 305 C K H X S+ 0 0 39 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.903 109.7 51.0 -62.6 -40.1 7.3 -6.7 4.9 32 306 C L H X S+ 0 0 31 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.927 111.3 47.9 -63.2 -41.4 8.9 -6.4 8.3 33 307 C L H X S+ 0 0 102 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.883 109.4 53.9 -66.4 -36.7 10.7 -9.8 7.8 34 308 C E H X S+ 0 0 87 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.892 108.3 50.3 -58.1 -42.2 11.8 -8.6 4.3 35 309 C E H < S+ 0 0 48 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.852 109.6 49.5 -70.7 -32.2 13.3 -5.5 5.9 36 310 C L H < S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.859 111.8 50.0 -66.4 -39.9 15.2 -7.6 8.5 37 311 C K H < 0 0 187 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.899 360.0 360.0 -68.4 -40.1 16.5 -9.8 5.6 38 312 C G < 0 0 116 -4,-2.3 -3,-0.1 -5,-0.2 -4,-0.1 0.594 360.0 360.0 84.5 360.0 17.7 -6.9 3.5 39 !* 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 40 401 D E > 0 0 140 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -36.2 13.1 1.9 4.8 41 402 D L H > + 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.936 360.0 46.1 -59.3 -45.4 11.8 -0.4 7.5 42 403 D L H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 111.4 52.5 -63.5 -40.2 9.8 2.5 9.0 43 404 D K H > S+ 0 0 146 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 111.0 45.9 -62.4 -44.7 8.6 3.5 5.5 44 405 D K H X S+ 0 0 60 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.912 111.6 52.9 -66.1 -39.7 7.3 0.0 4.7 45 406 D L H X S+ 0 0 21 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.938 111.0 46.5 -55.6 -51.0 5.7 -0.2 8.2 46 407 D L H X S+ 0 0 93 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.890 111.0 52.0 -63.5 -38.7 3.8 3.1 7.6 47 408 D E H X S+ 0 0 92 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.923 112.0 46.3 -61.2 -45.3 2.7 2.0 4.1 48 409 D E H < S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 111.6 51.6 -67.0 -38.1 1.3 -1.2 5.5 49 410 D L H < S+ 0 0 77 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.886 114.7 42.6 -63.6 -40.1 -0.5 0.6 8.3 50 411 D K H < 0 0 141 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.803 360.0 360.0 -79.8 -28.8 -2.1 3.1 6.0 51 412 D G < 0 0 109 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.308 360.0 360.0 62.8 360.0 -3.1 0.6 3.2