==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 18-MAR-07 2P6J . COMPND 2 MOLECULE: DESIGNED ENGRAILED HOMEODOMAIN VARIANT UVF; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR P.S.SHAH,G.K.HOM,S.A.ROSS,J.K.LASSILA,K.A.CROWHURST,S.L.MAYO . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 65.4 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 . 2 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 48.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 7.7 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 1 0 2 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 M 0 0 216 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -26.2 -12.2 -8.9 4.7 2 2 A K + 0 0 189 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.816 360.0 149.2 -91.1 106.0 -8.7 -10.2 3.8 3 3 A Q S S- 0 0 73 -2,-0.9 37,-0.5 36,-0.0 34,-0.3 0.180 74.0 -4.0-117.3 13.2 -7.6 -8.5 0.6 4 4 A W S S- 0 0 49 32,-0.1 2,-0.7 35,-0.1 32,-0.1 -0.899 102.8 -52.5-173.0-169.8 -3.9 -8.6 1.4 5 5 A S >> - 0 0 51 30,-0.3 4,-1.9 -2,-0.3 3,-1.6 -0.884 50.4-135.7 -89.5 117.7 -1.6 -9.6 4.2 6 6 A E H 3> S+ 0 0 119 -2,-0.7 4,-1.4 1,-0.3 3,-0.2 0.866 102.7 42.9 -34.3 -59.0 -2.9 -7.8 7.3 7 7 A N H 3> S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.652 108.7 60.6 -74.6 -14.4 0.6 -6.7 8.5 8 8 A V H <> S+ 0 0 15 -3,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.927 100.4 52.7 -75.0 -46.3 1.6 -5.7 5.0 9 9 A E H X S+ 0 0 60 -4,-1.9 4,-1.3 1,-0.2 3,-0.4 0.914 110.5 51.1 -52.3 -45.1 -1.3 -3.1 4.7 10 10 A E H X S+ 0 0 78 -4,-1.4 4,-1.2 1,-0.2 3,-0.4 0.923 111.0 45.5 -55.9 -49.8 0.0 -1.7 8.0 11 11 A K H X S+ 0 0 95 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.574 100.8 66.1 -84.3 -7.7 3.6 -1.4 6.8 12 12 A L H X S+ 0 0 0 -4,-1.6 4,-3.1 -3,-0.4 5,-0.4 0.878 102.5 49.8 -71.2 -38.7 2.6 0.1 3.5 13 13 A K H X>S+ 0 0 72 -4,-1.3 5,-2.5 -3,-0.4 4,-0.9 0.901 110.7 51.6 -58.8 -41.7 1.5 3.1 5.6 14 14 A E H <5S+ 0 0 45 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.899 117.0 37.1 -60.0 -43.2 4.9 2.8 7.2 15 15 A F H <5S+ 0 0 58 -4,-1.8 6,-0.4 3,-0.2 -2,-0.2 0.830 124.5 36.0 -87.4 -33.9 6.7 2.9 3.9 16 16 A V H <>S+ 0 0 17 -4,-3.1 5,-0.6 5,-0.2 -3,-0.2 0.964 134.3 14.7 -83.3 -61.9 4.6 5.3 1.9 17 17 A K T <5S+ 0 0 99 -4,-0.9 -3,-0.2 -5,-0.4 -4,-0.1 0.905 127.8 50.4 -83.5 -43.6 3.4 8.0 4.4 18 18 A R T - 0 0 90 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.321 28.6-119.1 -67.0 151.0 6.7 6.0 -6.3 24 24 A Q H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.828 111.9 55.5 -63.2 -33.6 3.9 3.8 -7.5 25 25 A E H > S+ 0 0 146 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.956 115.4 36.4 -64.9 -50.4 6.1 1.9 -9.9 26 26 A E H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.875 115.2 58.7 -67.3 -37.4 8.6 0.9 -7.1 27 27 A L H X S+ 0 0 4 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.908 102.2 52.5 -56.6 -46.1 5.6 0.6 -4.7 28 28 A H H X S+ 0 0 52 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.861 110.0 48.4 -63.2 -36.7 4.0 -2.0 -6.9 29 29 A Q H X S+ 0 0 118 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.929 113.6 46.1 -67.3 -44.5 7.1 -4.1 -7.0 30 30 A Y H X S+ 0 0 55 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.820 108.4 60.0 -66.3 -31.1 7.4 -3.8 -3.2 31 31 A A H X>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 4,-1.8 0.959 107.0 42.1 -60.0 -52.7 3.7 -4.7 -3.0 32 32 A Q H <5S+ 0 0 107 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.616 109.3 62.8 -76.5 -12.0 4.1 -8.1 -4.7 33 33 A R H <5S+ 0 0 188 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.930 110.7 35.2 -71.4 -49.5 7.2 -8.6 -2.6 34 34 A L H <5S- 0 0 64 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.1 0.732 131.1 -87.2 -80.3 -23.7 5.4 -8.5 0.7 35 35 A G T <5S+ 0 0 35 -4,-1.8 -30,-0.3 -5,-0.2 -3,-0.2 0.711 74.6 144.0 120.1 38.8 2.3 -10.2 -0.6 36 36 A L < - 0 0 19 -5,-2.7 2,-0.3 -32,-0.1 -32,-0.1 -0.449 29.8-154.8 -94.4 176.8 -0.1 -7.6 -2.1 37 37 A N >> - 0 0 61 -34,-0.3 4,-2.3 -2,-0.1 3,-0.7 -0.964 36.5-101.2-149.7 154.2 -2.3 -7.7 -5.1 38 38 A E H 3> S+ 0 0 116 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.751 120.3 61.4 -53.0 -28.2 -3.7 -5.0 -7.3 39 39 A E H 3> S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.966 110.8 37.4 -59.6 -54.4 -7.0 -5.2 -5.4 40 40 A A H <> S+ 0 0 1 -3,-0.7 4,-2.7 -37,-0.5 -2,-0.2 0.817 114.2 58.7 -67.0 -31.2 -5.4 -4.2 -2.2 41 41 A I H X S+ 0 0 10 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.917 108.6 42.9 -67.4 -43.3 -3.2 -1.8 -4.1 42 42 A R H X>S+ 0 0 155 -4,-2.7 4,-3.0 2,-0.2 5,-0.5 0.937 113.7 53.1 -64.3 -46.6 -6.2 0.1 -5.5 43 43 A Q H X5S+ 0 0 40 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 108.0 50.9 -51.5 -47.2 -7.8 -0.1 -2.0 44 44 A F H <5S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 117.5 38.9 -66.0 -31.7 -4.7 1.4 -0.5 45 45 A F H ><5S+ 0 0 74 -4,-1.4 3,-1.4 -3,-0.4 4,-0.4 0.953 120.4 39.0 -83.0 -55.8 -4.6 4.3 -3.0 46 46 A E H 3<5S+ 0 0 88 -4,-3.0 6,-0.2 1,-0.3 -3,-0.2 0.851 128.3 35.5 -68.0 -33.6 -8.3 5.2 -3.4 47 47 A E T 3<