==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 22-DEC-11 3V86 . COMPND 2 MOLECULE: DE NOVO DESIGN HELIX; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.ACHARYA,B.NORTH,J.SAVEN,W.DEGRADO . 27 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 92.6 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 . 3 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 81.5 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 1 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 Y > 0 0 234 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.5 19.4 -17.1 0.9 2 2 A V H > + 0 0 111 2,-0.2 4,-1.4 3,-0.1 5,-0.0 0.776 360.0 44.7 -94.8 -39.8 16.7 -14.4 1.2 3 3 A Y H > S+ 0 0 185 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.946 110.6 57.2 -65.9 -46.3 13.9 -16.7 2.4 4 4 A Q H > S+ 0 0 105 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.936 113.2 37.6 -45.4 -60.1 16.4 -18.4 4.8 5 5 A L H X S+ 0 0 101 -4,-0.7 4,-3.6 2,-0.2 5,-0.3 0.786 111.2 67.8 -64.2 -27.7 17.1 -15.0 6.5 6 6 A K H X S+ 0 0 140 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.990 108.5 30.4 -56.1 -67.1 13.4 -14.2 6.1 7 7 A D H < S+ 0 0 118 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.824 118.6 60.8 -66.4 -27.8 12.0 -16.8 8.4 8 8 A E H >X S+ 0 0 75 -4,-1.7 3,-2.4 -5,-0.4 4,-2.2 0.955 102.2 48.6 -59.8 -54.9 15.2 -16.5 10.5 9 9 A V H 3X S+ 0 0 85 -4,-3.6 4,-1.3 1,-0.3 -1,-0.2 0.830 106.2 62.1 -58.1 -27.8 14.6 -12.8 11.1 10 10 A G H 3X S+ 0 0 46 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.3 0.697 107.4 41.8 -68.3 -17.9 11.1 -14.0 12.1 11 11 A E H <> S+ 0 0 104 -3,-2.4 4,-2.8 -4,-0.4 5,-0.3 0.865 113.1 46.9-100.0 -41.8 12.6 -16.1 14.9 12 12 A L H X S+ 0 0 95 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.861 111.6 58.4 -60.4 -30.7 15.2 -13.8 16.5 13 13 A K H X S+ 0 0 108 -4,-1.3 4,-1.6 -5,-0.4 -1,-0.2 0.868 112.3 36.5 -64.4 -43.6 12.4 -11.3 16.3 14 14 A G H X S+ 0 0 32 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.965 114.4 55.2 -73.3 -56.8 10.1 -13.3 18.4 15 15 A E H X S+ 0 0 117 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.802 110.6 48.7 -37.5 -42.9 12.8 -14.6 20.7 16 16 A V H X S+ 0 0 85 -4,-1.9 4,-3.0 -5,-0.3 5,-0.3 0.918 104.7 55.1 -72.9 -46.9 13.7 -11.0 21.3 17 17 A R H X S+ 0 0 151 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.878 111.2 49.3 -52.3 -38.1 10.2 -9.9 22.1 18 18 A A H >X S+ 0 0 53 -4,-2.3 4,-2.8 2,-0.2 3,-0.6 0.971 108.9 49.6 -64.4 -56.1 10.2 -12.6 24.7 19 19 A L H 3X S+ 0 0 88 -4,-2.2 4,-2.7 1,-0.3 5,-0.5 0.908 109.1 52.5 -50.6 -48.7 13.6 -11.6 26.2 20 20 A K H 3X S+ 0 0 145 -4,-3.0 4,-1.3 1,-0.2 -1,-0.3 0.873 114.0 46.1 -54.1 -37.4 12.3 -8.0 26.5 21 21 A D H < S+ 0 0 133 -4,-1.3 3,-0.6 -5,-0.5 -1,-0.2 0.846 104.9 50.0 -59.2 -34.3 11.6 -6.6 32.1 25 25 A D H 3< S+ 0 0 138 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.870 103.6 62.1 -67.1 -42.5 9.8 -8.6 34.8 26 26 A L H 3< 0 0 141 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.655 360.0 360.0 -51.2 -25.2 13.3 -9.3 36.3 27 27 A K << 0 0 178 -4,-0.8 -3,-0.0 -3,-0.6 -4,-0.0 -0.370 360.0 360.0 -66.7 360.0 13.9 -5.7 36.9