==== 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 1YRI . 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) . 2865.0 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 96 0, 0.0 2,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 151.8 -8.3 9.1 6.4 2 43 A S > - 0 0 59 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.307 360.0-104.1 -65.1 163.9 -4.7 8.4 7.4 3 44 A D H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.927 122.4 48.2 -62.5 -42.0 -2.2 11.2 6.9 4 45 A E H > S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 112.3 48.3 -64.4 -42.7 -0.7 9.6 3.8 5 46 A D H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 109.3 55.6 -63.5 -39.2 -4.2 9.0 2.3 6 47 A F H X S+ 0 0 5 -4,-2.8 4,-2.9 1,-0.2 6,-0.4 0.946 106.3 48.9 -57.5 -49.1 -5.1 12.6 3.1 7 48 A K H X S+ 0 0 98 -4,-2.0 4,-1.6 1,-0.2 5,-0.2 0.911 114.3 46.5 -61.2 -40.0 -2.1 14.0 1.2 8 49 A A H < S+ 0 0 83 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.920 115.9 43.9 -66.7 -43.0 -2.9 11.8 -1.8 9 50 A V H < S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.916 126.1 29.3 -71.4 -43.6 -6.6 12.6 -1.9 10 51 A F H < S- 0 0 21 -4,-2.9 -1,-0.2 2,-0.3 -2,-0.2 0.558 99.3-126.8 -97.6 -9.7 -6.4 16.4 -1.3 11 52 A G S < S+ 0 0 64 -4,-1.6 2,-0.3 -5,-0.4 -4,-0.2 0.691 80.6 62.6 70.7 24.3 -3.1 17.0 -2.9 12 53 A M S S- 0 0 60 -6,-0.4 -2,-0.3 -5,-0.2 -1,-0.2 -0.957 88.1 -86.5-163.0 166.6 -1.6 18.8 0.1 13 54 A T > - 0 0 70 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.283 39.7-109.5 -73.5 163.3 -0.6 18.2 3.7 14 55 A R H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.880 120.6 53.8 -58.5 -37.2 -3.1 18.6 6.6 15 56 A S H 4 S+ 0 0 91 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.919 109.7 46.7 -65.4 -41.6 -1.2 21.7 7.7 16 57 A A H >4 S+ 0 0 40 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.956 112.1 50.4 -62.1 -48.4 -1.5 23.2 4.3 17 58 A F H >< S+ 0 0 4 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.850 98.2 67.7 -58.1 -34.7 -5.2 22.4 4.1 18 59 A A T 3< S+ 0 0 57 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.681 92.5 62.2 -64.2 -16.8 -5.8 23.9 7.6 19 60 A N T < S+ 0 0 143 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.599 83.9 96.0 -85.4 -9.7 -5.1 27.3 6.0 20 61 A L S < S- 0 0 47 -3,-2.0 5,-0.1 -4,-0.3 -3,-0.0 -0.358 96.4 -79.6 -72.3 157.4 -8.0 27.1 3.6 21 62 A P > - 0 0 65 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.278 42.9-121.1 -53.4 143.0 -11.3 28.8 4.7 22 63 A L H > S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.896 109.8 52.4 -57.8 -42.8 -13.1 26.6 7.1 23 64 A W H > S+ 0 0 177 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.847 110.8 50.6 -68.2 -29.7 -16.4 26.2 5.0 24 65 A K H > S+ 0 0 77 -3,-0.4 4,-3.8 2,-0.3 5,-0.4 0.869 99.9 60.9 -76.9 -37.1 -14.2 25.1 2.1 25 66 A Q H X S+ 0 0 44 -4,-2.0 4,-1.6 1,-0.3 -2,-0.2 0.926 108.8 46.8 -50.8 -42.6 -12.3 22.5 4.2 26 67 A Q H X S+ 0 0 105 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.3 0.896 112.1 51.1 -63.5 -40.6 -15.8 21.2 4.5 27 68 A H H X S+ 0 0 86 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.932 109.2 47.0 -62.9 -50.8 -16.2 21.6 0.7 28 69 A L H X S+ 0 0 36 -4,-3.8 4,-0.5 1,-0.2 -1,-0.2 0.877 119.1 43.3 -65.3 -33.0 -13.1 19.8 -0.4 29 70 A K H ><>S+ 0 0 43 -4,-1.6 3,-1.8 -5,-0.4 5,-1.6 0.977 112.4 46.8 -75.7 -57.3 -13.9 17.0 2.1 30 71 A K H ><5S+ 0 0 105 -4,-2.7 3,-1.8 1,-0.3 -3,-0.2 0.869 108.5 59.0 -54.2 -37.5 -17.8 16.4 1.5 31 72 A E H 3<5S+ 0 0 140 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.790 106.1 48.4 -63.3 -28.1 -17.1 16.5 -2.2 32 73 A K T <<5S- 0 0 91 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.352 122.7-105.2 -88.1 3.2 -14.8 13.5 -1.7 33 74 A G T < 5S+ 0 0 64 -3,-1.8 -3,-0.2 -4,-0.4 2,-0.2 0.673 85.2 120.9 78.8 16.8 -17.3 11.6 0.4 34 75 A L < 0 0 44 -5,-1.6 -1,-0.3 -8,-0.1 -2,-0.1 -0.491 360.0 360.0-114.8 167.2 -15.3 12.5 3.6 35 76 A F 0 0 213 -2,-0.2 -9,-0.0 -6,-0.1 0, 0.0 -0.953 360.0 360.0-143.7 360.0 -15.8 14.3 6.9