==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 13-MAY-11 3S0R . COMPND 2 MOLECULE: DE NOVO DESIGNED HELICAL ASSEMBLY; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.ACHARYA,G.GRIGORYAN,Y.H.KIM,W.F.DEGRADO . 60 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 90.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 83.3 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 0 0 0 0 2 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 A 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.4 16.3 -7.5 22.6 2 2 A E > + 0 0 165 3,-0.1 4,-1.7 4,-0.0 5,-0.2 0.516 360.0 36.1-127.0 -49.0 19.1 -8.1 25.0 3 3 A A H > S+ 0 0 67 2,-0.2 4,-1.9 3,-0.2 3,-0.2 0.987 117.7 49.0 -69.9 -58.9 20.7 -4.7 25.5 4 4 A E H > S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.870 121.7 35.5 -48.3 -43.7 17.5 -2.6 25.4 5 5 A S H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.742 106.2 63.0 -90.9 -27.0 15.8 -4.8 27.9 6 6 A A H X S+ 0 0 60 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.869 105.5 56.2 -59.9 -32.1 18.7 -5.7 30.2 7 7 A L H X S+ 0 0 30 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.972 104.0 47.4 -61.2 -59.2 18.6 -2.0 30.7 8 8 A E H X S+ 0 0 97 -4,-1.1 4,-1.9 1,-0.2 5,-0.2 0.944 112.6 49.7 -48.7 -59.1 15.0 -1.7 31.8 9 9 A Y H X S+ 0 0 163 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.878 107.8 55.5 -46.9 -47.5 15.4 -4.6 34.3 10 10 A A H X S+ 0 0 37 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.966 104.9 51.0 -51.9 -57.4 18.5 -3.0 35.7 11 11 A Q H X S+ 0 0 41 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.879 111.1 49.5 -49.7 -43.0 16.8 0.2 36.5 12 12 A Q H X S+ 0 0 99 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.925 109.0 50.5 -64.9 -47.4 14.0 -1.6 38.3 13 13 A A H X S+ 0 0 44 -4,-2.5 4,-2.3 1,-0.2 3,-0.4 0.976 110.9 50.5 -51.7 -56.1 16.5 -3.7 40.4 14 14 A L H X S+ 0 0 29 -4,-3.0 4,-3.6 1,-0.2 5,-0.3 0.910 104.4 60.6 -47.1 -45.4 18.1 -0.5 41.2 15 15 A E H X S+ 0 0 87 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.923 107.5 41.4 -52.3 -49.7 14.8 0.8 42.2 16 16 A K H X S+ 0 0 157 -4,-2.1 4,-2.8 -3,-0.4 -1,-0.3 0.839 114.3 53.8 -69.9 -30.2 14.2 -1.8 44.9 17 17 A A H X S+ 0 0 45 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.965 108.7 48.6 -64.9 -50.5 17.8 -1.4 46.0 18 18 A Q H X S+ 0 0 26 -4,-3.6 4,-1.6 1,-0.2 -2,-0.2 0.853 114.8 46.4 -55.6 -39.7 17.3 2.4 46.4 19 19 A L H X S+ 0 0 95 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.934 110.7 48.9 -70.6 -51.0 14.1 1.7 48.4 20 20 A A H X S+ 0 0 64 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.922 111.4 53.3 -52.9 -46.9 15.5 -1.0 50.7 21 21 A L H X S+ 0 0 22 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.894 107.5 49.4 -51.8 -49.2 18.4 1.4 51.3 22 22 A Q H X S+ 0 0 113 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.897 111.1 49.5 -62.0 -43.2 16.0 4.2 52.2 23 23 A A H >X S+ 0 0 59 -4,-2.7 4,-2.6 2,-0.2 3,-1.4 0.930 108.8 55.4 -59.2 -42.9 14.2 1.9 54.6 24 24 A A H 3X S+ 0 0 42 -4,-2.8 4,-3.4 1,-0.3 -2,-0.2 0.959 102.8 52.1 -56.3 -55.1 17.6 0.9 56.0 25 25 A R H 3X S+ 0 0 105 -4,-2.7 4,-1.4 1,-0.2 -1,-0.3 0.635 112.9 49.8 -56.9 -12.7 18.5 4.5 56.8 26 26 A Q H 0 0 80 0, 0.0 4,-4.0 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 179.4 28.2 8.3 61.5 33 2 B E H > + 0 0 182 1,-0.2 4,-1.5 2,-0.2 3,-0.1 0.846 360.0 13.5 -38.3 -80.7 30.0 5.1 60.6 34 3 B A H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.871 124.2 64.5 -66.9 -38.2 27.3 3.0 58.9 35 4 B E H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.904 108.4 41.5 -45.6 -46.7 25.1 6.1 58.5 36 5 B S H X S+ 0 0 57 -4,-4.0 4,-1.7 2,-0.2 -1,-0.2 0.803 108.8 56.9 -79.4 -33.3 27.8 7.6 56.3 37 6 B A H X S+ 0 0 59 -4,-1.5 4,-2.2 -5,-0.4 -2,-0.2 0.933 112.5 44.7 -59.0 -45.1 28.4 4.3 54.4 38 7 B L H X S+ 0 0 39 -4,-2.9 4,-3.5 2,-0.2 -2,-0.2 0.960 107.3 56.2 -61.4 -54.0 24.7 4.4 53.5 39 8 B E H X S+ 0 0 69 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.835 112.8 43.5 -50.7 -34.8 24.6 8.0 52.6 40 9 B Y H X S+ 0 0 157 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.847 110.8 54.4 -77.5 -38.3 27.4 7.3 50.1 41 10 B A H X S+ 0 0 38 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.981 112.4 45.0 -57.1 -55.3 25.6 4.1 49.0 42 11 B Q H X S+ 0 0 39 -4,-3.5 4,-2.0 2,-0.2 5,-0.2 0.959 113.6 47.9 -46.1 -65.3 22.5 6.2 48.3 43 12 B Q H X S+ 0 0 108 -4,-2.2 4,-1.5 1,-0.3 3,-0.3 0.896 116.5 43.6 -46.5 -51.2 24.4 9.1 46.6 44 13 B A H X S+ 0 0 34 -4,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.877 108.5 59.2 -64.3 -40.1 26.3 6.6 44.4 45 14 B L H X S+ 0 0 42 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.846 107.2 47.0 -58.6 -34.7 23.2 4.6 43.7 46 15 B E H X S+ 0 0 88 -4,-2.0 4,-1.8 -3,-0.3 -1,-0.2 0.787 106.3 54.6 -82.4 -29.3 21.5 7.7 42.3 47 16 B K H X S+ 0 0 124 -4,-1.5 4,-2.6 -5,-0.2 5,-0.2 0.899 109.7 53.4 -65.0 -34.1 24.4 8.6 40.1 48 17 B A H X S+ 0 0 43 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.956 107.9 45.0 -62.9 -55.7 23.9 5.1 38.9 49 18 B Q H X S+ 0 0 16 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.828 113.6 55.0 -58.7 -29.8 20.3 5.4 38.0 50 19 B L H X S+ 0 0 97 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.915 109.3 42.7 -68.8 -45.4 21.3 8.7 36.4 51 20 B A H X S+ 0 0 65 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.806 112.0 61.6 -66.7 -29.6 23.9 7.1 34.1 52 21 B L H X S+ 0 0 25 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.952 104.4 41.8 -60.3 -58.5 21.3 4.4 33.6 53 22 B Q H X S+ 0 0 111 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.916 110.4 61.3 -55.6 -43.4 18.6 6.6 32.1 54 23 B A H X S+ 0 0 59 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.896 108.3 41.0 -52.2 -49.3 21.4 8.4 30.0 55 24 B A H X S+ 0 0 44 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.938 113.1 55.8 -64.5 -47.2 22.4 5.1 28.3 56 25 B R H >X S+ 0 0 7 -4,-2.4 4,-1.0 1,-0.2 3,-0.8 0.962 111.3 42.6 -45.7 -64.3 18.7 4.2 27.9 57 26 B Q H >< S+ 0 0 113 -4,-3.2 3,-0.9 1,-0.3 -1,-0.2 0.871 108.4 57.2 -53.8 -44.0 17.9 7.4 26.1 58 27 B A H >< S+ 0 0 63 -4,-2.1 3,-1.1 1,-0.3 -1,-0.3 0.894 109.1 50.3 -55.1 -35.2 21.0 7.3 24.0 59 28 B L H << S+ 0 0 99 -4,-2.2 -1,-0.3 -3,-0.8 -2,-0.3 0.678 100.2 59.7 -78.3 -23.1 19.6 4.0 22.9 60 29 B K T << 0 0 128 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.108 360.0 360.0 -86.5 21.2 16.2 5.4 22.2 61 30 B A < 0 0 118 -3,-1.1 0, 0.0 -5,-0.2 0, 0.0 -0.962 360.0 360.0-137.0 360.0 18.2 7.6 19.7