==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 09-MAR-07 2JOF . COMPND 2 MOLECULE: TRP-CAGE; . SOURCE 2 SYNTHETIC: YES . AUTHOR B.BARUA,N.H.ANDERSEN . 20 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 65.0 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 . 1 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 5.0 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 1 0 0 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 1 A D > 0 0 171 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 129.2 22.7 6.8 -3.4 2 2 A A H > + 0 0 69 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.880 360.0 56.8 -65.3 -40.7 26.0 4.8 -3.7 3 3 A Y H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.882 102.3 55.4 -63.1 -38.5 26.7 5.3 0.1 4 4 A A H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 113.5 41.1 -55.5 -48.6 23.3 3.7 1.0 5 5 A Q H X S+ 0 0 126 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.922 107.8 62.1 -67.3 -42.7 24.3 0.6 -1.0 6 6 A W H X>S+ 0 0 27 -4,-3.0 5,-2.7 1,-0.2 4,-0.6 0.897 109.2 42.0 -47.3 -50.3 27.9 0.8 0.4 7 7 A L H ><5S+ 0 0 99 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.922 111.1 56.3 -63.8 -46.2 26.5 0.2 3.9 8 8 A K H 3<5S+ 0 0 179 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.873 105.3 51.4 -54.2 -44.2 24.0 -2.5 2.7 9 9 A D H 3<5S- 0 0 78 -4,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.671 133.8 -90.5 -66.2 -18.7 26.8 -4.6 1.2 10 10 A G T X<5 - 0 0 28 -3,-1.3 3,-2.3 -4,-0.6 -3,-0.2 0.472 46.0-133.7 117.5 9.2 28.7 -4.4 4.6 11 11 A G G >>4 S+ 0 0 112 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.796 123.4 64.9 -54.2 -30.4 34.4 -2.0 5.3 13 13 A S G <4 S+ 0 0 111 -3,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.835 101.6 48.0 -60.3 -38.6 33.6 -5.7 5.1 14 14 A S G <4 S- 0 0 48 -3,-1.1 -1,-0.2 -8,-0.2 -3,-0.1 0.547 96.3-141.2 -81.4 -18.3 33.1 -5.5 1.3 15 15 A G << + 0 0 63 -3,-0.8 -2,-0.1 -4,-0.6 -1,-0.1 0.190 52.7 140.1 70.6 -13.6 36.4 -3.6 0.6 16 16 A R - 0 0 100 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.389 65.3-100.8 -54.7 126.5 34.7 -1.5 -2.1 17 17 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 -0.283 39.3-114.0 -52.6 129.7 36.0 2.2 -1.8 18 18 A P - 0 0 69 0, 0.0 2,-0.6 0, 0.0 -15,-0.1 -0.439 29.5-112.9 -64.8 140.1 33.5 4.5 0.0 19 19 A P 0 0 49 0, 0.0 -16,-0.1 0, 0.0 -13,-0.0 -0.668 360.0 360.0 -77.2 114.9 31.9 7.2 -2.2 20 20 A S 0 0 195 -2,-0.6 0, 0.0 -17,-0.0 0, 0.0 -0.772 360.0 360.0 -79.2 360.0 33.0 10.7 -1.0