==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 11-FEB-05 1YU5 . COMPND 2 MOLECULE: VILLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.MENG,D.VARDAR,Y.WANG,H.C.GUO,J.F.HEAD,C.J.MCKNIGHT . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 55.2 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 . 1 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.0 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 2 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 10 X P 0 0 137 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-176.4 8.4 34.1 16.1 2 11 X T + 0 0 149 1,-0.1 2,-0.3 2,-0.1 3,-0.0 0.512 360.0 4.2 -94.2 -9.6 11.6 34.8 18.1 3 12 X K S S- 0 0 156 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.961 98.8 -63.4-163.0 170.4 12.1 31.1 19.0 4 13 X L - 0 0 105 -2,-0.3 2,-0.1 1,-0.1 20,-0.1 -0.392 55.1-115.8 -68.1 139.3 10.6 27.7 18.3 5 14 X E - 0 0 66 18,-0.5 2,-0.3 -2,-0.1 -1,-0.1 -0.461 26.6-147.0 -75.2 144.0 7.1 27.2 19.5 6 15 X T - 0 0 77 -2,-0.1 27,-0.2 18,-0.1 26,-0.1 -0.831 14.8-176.5-113.6 154.6 6.4 24.6 22.3 7 16 X F - 0 0 39 25,-2.6 27,-0.4 -2,-0.3 5,-0.1 -0.961 37.4 -80.4-144.0 156.8 3.3 22.4 22.8 8 17 X P >> - 0 0 78 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.244 40.1-118.2 -58.6 147.0 2.1 19.9 25.4 9 18 X L H 3> S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.909 113.8 56.3 -52.4 -45.2 3.5 16.4 25.1 10 19 X D H 3> S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.857 107.0 49.5 -61.1 -33.8 0.1 14.9 24.5 11 20 X V H <4 S+ 0 0 52 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.912 111.1 48.3 -69.9 -41.9 -0.5 17.2 21.5 12 21 X L H < S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.871 119.6 38.9 -67.8 -34.7 2.9 16.3 19.9 13 22 X V H < S+ 0 0 36 -4,-2.4 2,-0.7 -5,-0.2 -2,-0.2 0.919 119.5 43.8 -79.5 -43.6 2.3 12.6 20.4 14 23 X N S < S+ 0 0 108 -4,-2.6 2,-0.3 -5,-0.3 -1,-0.2 -0.494 86.6 97.4-110.7 64.9 -1.4 12.4 19.6 15 24 X T S S- 0 0 41 -2,-0.7 5,-0.1 -3,-0.3 2,-0.1 -0.992 71.6-112.1-147.1 137.9 -2.1 14.5 16.6 16 25 X A >> - 0 0 43 -2,-0.3 3,-1.1 1,-0.1 4,-0.7 -0.411 34.2-114.2 -67.4 147.2 -2.5 13.6 12.9 17 26 X A G >4 S+ 0 0 85 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.885 117.2 52.3 -48.2 -47.3 0.3 14.9 10.7 18 27 X E G 34 S+ 0 0 160 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.764 110.4 49.1 -63.3 -25.9 -2.1 17.2 8.8 19 28 X D G <4 S+ 0 0 115 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.457 81.6 121.4 -94.4 -2.6 -3.4 18.6 12.1 20 29 X L S << S- 0 0 25 -3,-1.2 -8,-0.1 -4,-0.7 -3,-0.0 -0.331 76.4 -98.0 -63.1 138.4 0.0 19.4 13.6 21 30 X P > - 0 0 39 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.264 30.5-120.1 -55.4 146.1 0.6 23.1 14.5 22 31 X R T 3 S+ 0 0 228 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.794 109.0 65.5 -59.3 -28.1 2.5 24.8 11.7 23 32 X G T 3 S+ 0 0 16 2,-0.1 2,-0.5 -17,-0.0 -18,-0.5 0.340 82.9 92.2 -79.2 7.5 5.2 25.7 14.2 24 33 X V < - 0 0 9 -3,-1.8 5,-0.1 -20,-0.1 -18,-0.1 -0.902 68.8-142.0-108.5 126.4 6.3 22.1 14.8 25 34 X D > - 0 0 73 -2,-0.5 3,-1.8 3,-0.3 6,-0.2 -0.740 17.0-151.0 -77.4 110.6 9.1 20.4 12.8 26 35 X P T 3 S+ 0 0 73 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.728 93.9 52.8 -59.2 -20.7 7.5 16.9 12.5 27 36 X S T 3 S+ 0 0 70 1,-0.2 3,-0.1 40,-0.1 -2,-0.0 0.536 117.2 36.8 -90.4 -9.1 11.0 15.3 12.3 28 37 X R X + 0 0 86 -3,-1.8 3,-2.0 1,-0.1 4,-0.4 -0.262 65.2 150.5-137.7 51.8 12.1 17.0 15.5 29 38 X K G > + 0 0 21 37,-0.5 3,-2.0 -3,-0.5 4,-0.1 0.815 67.9 68.9 -56.5 -31.7 9.1 17.1 17.7 30 39 X E G > S+ 0 0 5 1,-0.3 3,-1.3 36,-0.2 -1,-0.3 0.792 89.3 63.3 -59.1 -27.5 11.4 16.9 20.8 31 40 X N G < S+ 0 0 68 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.682 100.8 55.0 -69.1 -15.4 12.6 20.5 20.0 32 41 X H G < S+ 0 0 4 -3,-2.0 -25,-2.6 -4,-0.4 2,-0.3 0.291 85.2 98.5-104.0 9.5 9.0 21.6 20.6 33 42 X L S < S- 0 0 0 -3,-1.3 2,-0.0 -27,-0.2 -3,-0.0 -0.663 83.0-106.4 -89.0 150.4 8.5 20.2 24.1 34 43 X S > - 0 0 29 -27,-0.4 4,-2.9 -2,-0.3 5,-0.2 -0.305 35.4-104.9 -66.0 165.2 9.0 22.5 27.0 35 44 X D H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 123.3 53.0 -60.5 -38.4 12.2 22.0 29.0 36 45 X E H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 111.2 43.9 -64.4 -44.7 10.2 20.3 31.7 37 46 X D H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.890 111.3 54.5 -69.6 -36.7 8.5 17.8 29.3 38 47 X F H X>S+ 0 0 7 -4,-2.9 4,-2.9 1,-0.2 5,-0.6 0.943 110.6 46.8 -61.0 -43.9 11.8 17.1 27.5 39 48 X K H X5S+ 0 0 154 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.909 113.9 47.4 -63.2 -44.0 13.4 16.3 30.8 40 49 X A H <5S+ 0 0 82 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.899 118.3 41.0 -63.6 -42.0 10.5 14.0 31.8 41 50 X V H <5S+ 0 0 22 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.921 130.1 21.6 -74.8 -46.2 10.4 12.2 28.5 42 51 X F H <5S- 0 0 18 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.753 81.2-145.1 -99.7 -26.7 14.1 11.7 27.8 43 52 X G S < - 0 0 94 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.318 38.8-114.0 -72.1 161.5 19.8 17.2 28.6 46 55 X R H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.882 119.1 52.1 -61.1 -37.6 18.9 18.4 25.1 47 56 X S H > S+ 0 0 76 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.905 108.0 50.4 -66.4 -39.7 22.6 18.5 24.3 48 57 X A H 4 S+ 0 0 38 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.921 111.8 47.8 -65.3 -40.1 23.1 14.9 25.4 49 58 X F H >< S+ 0 0 4 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.930 109.6 53.0 -65.1 -42.0 20.2 13.7 23.3 50 59 X A H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.750 103.7 59.1 -63.8 -23.8 21.5 15.7 20.3 51 60 X N T 3< S+ 0 0 126 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.570 84.9 93.8 -83.3 -11.1 24.9 13.9 20.8 52 61 X L S < S- 0 0 52 -3,-1.5 5,-0.1 -4,-0.5 -3,-0.0 -0.506 97.4 -89.5 -74.0 152.8 23.3 10.5 20.4 53 62 X P >> - 0 0 64 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.340 38.5-113.6 -60.0 150.1 23.5 9.2 16.8 54 63 X L H 3> S+ 0 0 84 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.868 116.2 56.2 -54.0 -41.4 20.5 10.3 14.8 55 64 X W H 3> S+ 0 0 158 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.849 108.6 47.3 -62.8 -32.0 19.3 6.7 14.4 56 65 X K H <> S+ 0 0 85 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.882 109.1 53.1 -76.7 -37.8 19.3 6.3 18.2 57 66 X Q H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.939 112.6 46.7 -58.0 -45.6 17.4 9.5 18.7 58 67 X Q H X S+ 0 0 67 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.911 110.1 51.9 -63.7 -43.0 14.8 8.2 16.3 59 68 X N H X S+ 0 0 64 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.915 110.7 47.7 -63.0 -41.4 14.6 4.8 17.9 60 69 X L H X S+ 0 0 48 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.932 112.2 50.6 -63.9 -42.8 14.0 6.4 21.3 61 70 X K H <>S+ 0 0 6 -4,-2.3 5,-2.3 -5,-0.2 6,-0.7 0.861 101.0 63.3 -64.0 -34.5 11.4 8.7 19.8 62 71 X K H ><5S+ 0 0 80 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.938 104.7 44.3 -57.6 -48.4 9.5 5.9 18.1 63 72 X E H 3<5S+ 0 0 165 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 113.0 53.4 -65.1 -30.5 8.6 4.1 21.3 64 73 X K T 3<5S- 0 0 84 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.401 114.7-114.5 -86.1 0.2 7.6 7.4 22.9 65 74 X G T < 5S+ 0 0 32 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.600 89.9 107.0 76.9 14.3 5.3 8.3 20.1 66 75 X L < 0 0 0 -5,-2.3 -37,-0.5 -6,-0.2 -4,-0.2 0.339 360.0 360.0-106.3 5.1 7.4 11.3 18.9 67 76 X F 0 0 127 -6,-0.7 -40,-0.1 -5,-0.2 -39,-0.1 -0.483 360.0 360.0 -73.2 360.0 8.9 9.9 15.7