==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 03-FEB-05 1YRF . COMPND 2 MOLECULE: VILLIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.K.CHIU,J.KUBELKA,R.HERBST-IRMER,W.A.EATON,J.HOFRICHTER, . 35 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 60.0 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 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.9 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 1 0 0 0 1 0 1 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 42 A L 0 0 107 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.4 -6.4 9.3 7.0 2 43 A S > - 0 0 61 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.272 360.0-109.4 -64.9 163.0 -2.6 9.1 7.2 3 44 A D H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 121.6 53.4 -66.5 -35.1 -0.8 12.3 6.4 4 45 A E H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 109.7 46.2 -64.5 -46.6 0.4 10.6 3.2 5 46 A D H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.883 110.2 54.6 -62.0 -40.4 -3.1 9.7 2.2 6 47 A F H X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 6,-0.3 0.935 108.2 48.4 -58.1 -47.6 -4.4 13.2 3.0 7 48 A K H X S+ 0 0 113 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.885 112.3 49.6 -61.3 -38.2 -1.8 14.8 0.8 8 49 A A H < S+ 0 0 80 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.929 115.9 42.0 -62.8 -47.7 -2.7 12.3 -2.0 9 50 A V H < S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.943 127.5 28.2 -67.7 -45.5 -6.5 13.0 -1.8 10 51 A F H < S- 0 0 26 -4,-2.9 -1,-0.2 2,-0.3 -2,-0.2 0.536 97.8-125.0-101.7 -6.5 -6.3 16.8 -1.3 11 52 A G S < S+ 0 0 64 -4,-1.8 2,-0.3 -5,-0.3 -4,-0.2 0.666 83.1 57.3 74.1 18.2 -3.2 17.7 -3.2 12 53 A M S S- 0 0 64 -6,-0.3 -2,-0.3 -5,-0.2 -1,-0.1 -0.952 90.7 -84.7-164.8 165.1 -1.5 19.6 -0.3 13 54 A T > - 0 0 74 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.306 39.3-109.2 -71.6 164.1 -0.5 18.9 3.3 14 55 A R H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.885 120.9 56.0 -54.3 -42.9 -2.8 19.2 6.3 15 56 A S H 4 S+ 0 0 90 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.888 109.3 45.1 -59.8 -44.3 -1.0 22.2 7.3 16 57 A A H >4 S+ 0 0 36 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.920 112.0 51.5 -61.7 -47.7 -1.6 23.9 4.0 17 58 A F H >< S+ 0 0 5 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.864 99.1 65.0 -59.3 -34.6 -5.3 22.9 3.9 18 59 A A T 3< S+ 0 0 58 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.647 93.6 62.6 -66.4 -14.9 -5.7 24.3 7.4 19 60 A N T < S+ 0 0 142 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.600 84.7 94.6 -83.4 -11.0 -5.0 27.8 6.0 20 61 A L S < S- 0 0 49 -3,-1.8 5,-0.1 -4,-0.3 -3,-0.0 -0.355 95.8 -79.7 -74.9 159.3 -8.0 27.7 3.7 21 62 A P > - 0 0 63 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.237 42.2-119.0 -53.8 146.3 -11.3 29.3 4.8 22 63 A L H > S+ 0 0 136 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.895 113.7 51.9 -59.8 -42.4 -13.2 27.0 7.1 23 64 A W H > S+ 0 0 168 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.851 109.8 51.3 -62.7 -32.5 -16.2 26.7 4.8 24 65 A K H > S+ 0 0 80 -3,-0.4 4,-2.9 2,-0.2 5,-0.3 0.894 106.5 52.2 -73.6 -39.8 -13.8 25.7 2.0 25 66 A Q H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.945 112.0 47.8 -57.4 -44.9 -12.1 23.0 4.0 26 67 A Q H X S+ 0 0 112 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.937 113.3 47.9 -60.6 -48.5 -15.6 21.6 4.7 27 68 A H H X S+ 0 0 83 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.924 111.3 48.9 -57.6 -48.4 -16.6 21.8 1.1 28 69 A L H X S+ 0 0 47 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.892 113.0 47.7 -65.7 -38.6 -13.4 20.2 -0.2 29 70 A K H ><>S+ 0 0 49 -4,-2.2 5,-2.6 -5,-0.3 3,-0.8 0.947 112.8 47.9 -65.1 -47.0 -13.7 17.4 2.3 30 71 A K H ><5S+ 0 0 125 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.892 106.4 57.8 -62.8 -39.0 -17.4 16.8 1.5 31 72 A E H 3<5S+ 0 0 140 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.789 109.2 46.0 -59.4 -28.4 -16.7 16.8 -2.3 32 73 A K T <<5S- 0 0 124 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.266 122.2-107.7 -96.2 7.4 -14.2 13.9 -1.7 33 74 A G T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.687 80.6 121.2 73.2 21.5 -16.8 12.1 0.5 34 75 A L < 0 0 54 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.593 360.0 360.0-115.9 167.3 -14.8 12.8 3.8 35 76 A F 0 0 232 -2,-0.2 -9,-0.0 -3,-0.1 0, 0.0 -0.818 360.0 360.0-115.9 360.0 -15.7 14.6 7.1