==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 13-MAY-04 1T8J . COMPND 2 MOLECULE: BBA5; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.D.STRUTHERS,J.J.OTTESEN,B.IMPERIALI . 23 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 10 43.5 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 . 1 4.3 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 . 3 13.0 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 . 6 26.1 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 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 Y 0 0 147 0, 0.0 6,-0.1 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 139.2 58.7 -41.6 -3.5 2 2 A R + 0 0 182 1,-0.1 5,-0.2 2,-0.0 3,-0.1 0.338 360.0 168.7 -21.0 126.9 61.9 -41.3 -1.2 3 3 A V - 0 0 78 3,-0.8 2,-0.6 1,-0.1 4,-0.1 -0.542 61.8 -77.1-141.2 77.5 61.2 -40.8 2.6 4 4 A X S S+ 0 0 108 1,-0.2 2,-1.4 2,-0.1 -1,-0.1 -0.593 128.2 25.2 81.3-108.1 64.6 -41.2 4.6 5 5 A S S S+ 0 0 128 -2,-0.6 2,-0.2 -3,-0.1 -1,-0.2 -0.550 121.2 75.9 -87.6 68.0 65.2 -45.1 4.8 6 6 A Y - 0 0 124 -2,-1.4 -3,-0.8 0, 0.0 2,-0.2 -0.860 44.2-179.9-174.9 138.3 63.1 -45.5 1.6 7 7 A D - 0 0 118 -2,-0.2 -2,-0.0 -5,-0.2 -3,-0.0 -0.763 32.6-179.1-136.4 83.1 63.0 -45.2 -2.1 8 8 A F - 0 0 26 -2,-0.2 -1,-0.1 1,-0.0 5,-0.0 0.861 16.5-164.8 -56.2 -54.4 59.4 -46.5 -2.4 9 9 A S + 0 0 107 5,-0.0 -1,-0.0 1,-0.0 -2,-0.0 0.978 68.4 87.7 49.8 61.7 58.5 -46.5 -6.2 10 10 A R - 0 0 171 2,-0.0 -1,-0.0 0, 0.0 -2,-0.0 0.473 54.3-173.3-146.8 -68.4 54.8 -46.9 -5.2 11 11 A S S S+ 0 0 83 1,-0.2 -2,-0.0 -10,-0.0 -3,-0.0 0.453 90.6 57.8 46.2 14.2 52.7 -43.6 -4.5 12 12 A D S > S+ 0 0 123 3,-0.1 4,-1.4 2,-0.0 -1,-0.2 0.548 109.8 40.8-122.0 -43.3 49.7 -45.9 -3.3 13 13 A E H > S+ 0 0 103 2,-0.2 4,-0.6 1,-0.2 -4,-0.0 0.815 124.2 40.6 -66.1 -41.0 51.9 -47.7 -0.5 14 14 A L H > S+ 0 0 2 2,-0.2 4,-0.6 1,-0.1 -1,-0.2 0.374 112.2 54.4 -87.7 -2.1 53.5 -44.1 0.3 15 15 A A H > S+ 0 0 28 2,-0.1 4,-2.0 3,-0.1 -2,-0.2 0.733 101.7 62.9 -88.5 -31.1 50.0 -42.4 -0.1 16 16 A K H X S+ 0 0 122 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.812 103.9 44.5 -48.7 -47.3 48.9 -45.0 2.6 17 17 A L H X S+ 0 0 76 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.881 116.3 45.6 -70.1 -46.0 51.3 -43.6 5.3 18 18 A L H < S+ 0 0 95 -4,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.737 113.1 52.5 -64.6 -29.8 50.3 -39.9 4.4 19 19 A R H < S+ 0 0 200 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.904 110.4 47.5 -67.0 -48.2 46.6 -41.2 4.4 20 20 A Q H < S+ 0 0 168 -4,-2.3 2,-1.0 1,-0.2 3,-0.3 0.843 107.2 59.4 -58.3 -43.3 47.3 -42.7 8.0 21 21 A H S < S+ 0 0 163 -4,-2.0 -1,-0.2 1,-0.2 -4,-0.0 -0.815 74.1 115.1 -91.6 93.1 49.0 -39.3 9.2 22 22 A A 0 0 93 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.660 360.0 360.0-129.9 -44.7 45.9 -36.9 8.6 23 23 A G 0 0 129 -3,-0.3 -1,-0.3 0, 0.0 0, 0.0 -0.988 360.0 360.0-179.5 360.0 44.5 -35.4 11.9