==== 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 12-FEB-05 1YU7 . 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 . 64 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 54.7 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 . 10 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.1 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 1 1 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 13 X L 0 0 168 0, 0.0 2,-0.4 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 109.3 11.0 28.7 20.3 2 14 X E - 0 0 99 18,-0.2 2,-0.3 1,-0.0 0, 0.0 -0.708 360.0-152.9 -87.7 133.4 7.3 27.7 20.8 3 15 X T - 0 0 76 -2,-0.4 27,-0.2 18,-0.0 26,-0.1 -0.818 12.9-176.0-107.9 141.5 6.7 25.1 23.5 4 16 X F - 0 0 45 25,-2.5 27,-0.4 -2,-0.3 5,-0.1 -0.957 34.2 -87.1-136.3 155.2 3.7 22.7 23.6 5 17 X P > - 0 0 78 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.217 37.5-118.1 -58.3 149.0 2.4 20.1 26.0 6 18 X L H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.912 114.8 54.5 -54.2 -44.6 3.8 16.6 25.7 7 19 X D H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 106.7 51.3 -62.8 -32.8 0.4 15.2 24.8 8 20 X V H > S+ 0 0 46 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.924 112.5 45.2 -68.5 -43.6 0.0 17.6 22.0 9 21 X L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.845 120.4 40.2 -71.3 -30.6 3.4 16.7 20.5 10 22 X V H < S+ 0 0 38 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.912 128.0 25.1 -83.4 -41.1 2.8 13.0 20.9 11 23 X N H < S+ 0 0 110 -4,-2.6 2,-0.2 -5,-0.3 -3,-0.2 0.496 83.2 111.6-109.5 -2.5 -0.9 12.7 19.9 12 24 X T S < S- 0 0 40 -4,-1.7 5,-0.1 -5,-0.2 -4,-0.0 -0.532 75.8-106.3 -73.9 135.9 -1.9 15.6 17.6 13 25 X A > - 0 0 40 -2,-0.2 3,-2.0 1,-0.1 4,-0.5 -0.303 28.8-116.8 -58.0 143.2 -2.6 14.4 14.1 14 26 X A G > S+ 0 0 85 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.882 115.2 54.9 -49.8 -45.4 0.1 15.4 11.7 15 27 X E G 3 S+ 0 0 159 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.647 112.2 44.4 -66.1 -14.3 -2.2 17.7 9.7 16 28 X D G < S+ 0 0 113 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.312 79.1 129.4-112.0 7.2 -3.1 19.5 12.9 17 29 X L S < S- 0 0 26 -3,-1.3 -8,-0.1 -4,-0.5 -3,-0.0 -0.368 76.2 -92.1 -63.2 139.1 0.3 20.0 14.4 18 30 X P > - 0 0 34 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.279 38.9-121.0 -51.1 137.3 1.0 23.6 15.4 19 31 X R T 3 S+ 0 0 244 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.745 106.6 57.2 -57.2 -27.9 2.6 25.2 12.4 20 32 X G T 3 S+ 0 0 25 2,-0.1 2,-0.4 -19,-0.0 -1,-0.3 0.537 81.5 102.4 -82.3 -7.2 5.8 26.2 14.2 21 33 X V S < S- 0 0 6 -3,-1.8 5,-0.1 -20,-0.1 -18,-0.0 -0.647 72.2-133.7 -81.1 127.1 6.7 22.7 15.4 22 34 X D > - 0 0 74 -2,-0.4 3,-1.9 3,-0.3 6,-0.2 -0.722 14.5-150.8 -76.5 111.9 9.5 21.1 13.4 23 35 X P T 3 S+ 0 0 76 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.743 95.1 51.5 -57.8 -23.8 7.9 17.6 12.9 24 36 X S T 3 S+ 0 0 79 1,-0.2 3,-0.1 40,-0.1 -2,-0.1 0.528 117.5 37.2 -89.9 -7.7 11.4 16.1 12.8 25 37 X R X + 0 0 84 -3,-1.9 3,-1.9 1,-0.1 4,-0.4 -0.275 64.6 148.5-137.8 50.3 12.5 17.7 16.1 26 38 X K G > + 0 0 23 37,-0.5 3,-1.8 -3,-0.5 4,-0.2 0.827 68.7 68.0 -55.9 -31.2 9.4 17.6 18.2 27 39 X E G > S+ 0 0 4 1,-0.3 3,-1.3 36,-0.2 -1,-0.3 0.779 88.5 64.3 -61.3 -27.0 11.6 17.2 21.3 28 40 X N G < S+ 0 0 68 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.719 99.4 55.8 -68.3 -18.1 12.9 20.8 20.8 29 41 X H G < S+ 0 0 14 -3,-1.8 -25,-2.5 -4,-0.4 -1,-0.2 0.356 84.7 100.6 -97.9 6.0 9.4 22.0 21.5 30 42 X L S < S- 0 0 1 -3,-1.3 -3,-0.0 -27,-0.2 2,-0.0 -0.597 82.2-106.3 -84.8 151.4 9.0 20.3 24.8 31 43 X S > - 0 0 32 -27,-0.4 4,-2.7 -2,-0.2 5,-0.2 -0.322 34.8-106.1 -67.5 163.0 9.4 22.4 27.9 32 44 X D H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 122.7 53.4 -58.2 -41.8 12.6 21.9 29.8 33 45 X E H > S+ 0 0 158 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 111.3 44.6 -60.0 -43.7 10.7 20.0 32.5 34 46 X D H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.880 110.4 53.6 -71.1 -36.2 9.1 17.7 29.9 35 47 X F H X>S+ 0 0 6 -4,-2.7 4,-3.0 2,-0.2 5,-0.7 0.933 110.8 48.1 -62.4 -42.3 12.4 17.1 28.1 36 48 X K H X5S+ 0 0 156 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.930 114.4 46.0 -61.3 -47.0 13.9 16.0 31.4 37 49 X A H <5S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.881 119.4 39.8 -64.1 -40.8 11.0 13.7 32.2 38 50 X V H <5S+ 0 0 20 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.921 131.1 20.4 -79.2 -45.2 10.9 12.2 28.8 39 51 X F H <5S- 0 0 17 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.736 80.8-145.8-101.4 -25.0 14.5 11.7 27.9 40 52 X G S < - 0 0 91 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.312 38.0-116.1 -73.2 162.0 20.4 17.1 28.8 43 55 X R H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.882 118.1 52.5 -63.4 -36.5 19.3 18.4 25.5 44 56 X S H > S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.912 108.0 49.3 -65.7 -43.4 23.0 18.6 24.6 45 57 X A H 4 S+ 0 0 40 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.914 111.5 50.0 -63.3 -41.3 23.6 15.0 25.5 46 58 X F H >< S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.926 109.5 50.6 -62.5 -43.3 20.6 13.9 23.5 47 59 X A H 3< S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.711 104.4 60.0 -67.5 -19.4 21.8 15.9 20.4 48 60 X N T 3< S+ 0 0 129 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.519 85.5 95.2 -86.0 -8.4 25.3 14.2 20.8 49 61 X L S < S- 0 0 52 -3,-1.5 5,-0.1 -4,-0.4 -3,-0.0 -0.519 97.0 -89.7 -76.1 152.0 23.7 10.8 20.3 50 62 X P >> - 0 0 71 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.337 40.4-114.6 -58.7 148.0 23.9 9.4 16.8 51 63 X L H 3> S+ 0 0 80 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.885 114.9 58.3 -55.1 -39.9 20.7 10.6 14.9 52 64 X Y H 3> S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.865 107.6 47.2 -60.3 -33.0 19.5 7.0 14.5 53 65 X K H <> S+ 0 0 88 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.868 109.5 52.2 -76.9 -35.9 19.5 6.6 18.3 54 66 X Q H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.932 113.4 46.8 -59.4 -47.2 17.7 9.9 18.8 55 67 X Q H X S+ 0 0 63 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.918 110.6 50.2 -60.7 -47.3 15.1 8.7 16.4 56 68 X N H X S+ 0 0 66 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.889 111.0 48.5 -62.6 -40.6 14.8 5.2 17.9 57 69 X L H X S+ 0 0 51 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.941 113.2 49.2 -63.0 -45.8 14.3 6.7 21.4 58 70 X K H <>S+ 0 0 6 -4,-2.3 5,-2.5 -5,-0.2 6,-0.7 0.864 103.4 60.6 -61.2 -37.2 11.7 9.1 20.0 59 71 X K H ><5S+ 0 0 85 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.927 106.5 44.5 -59.3 -47.0 9.8 6.3 18.2 60 72 X E H 3<5S+ 0 0 173 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 114.0 51.4 -66.7 -30.5 9.0 4.4 21.4 61 73 X K T 3<5S- 0 0 84 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.362 115.4-113.5 -88.1 3.5 8.0 7.6 23.1 62 74 X G T < 5S+ 0 0 29 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.638 88.9 108.2 73.7 19.2 5.7 8.8 20.3 63 75 X L < 0 0 0 -5,-2.5 -37,-0.5 -6,-0.1 -36,-0.2 0.317 360.0 360.0-110.1 6.1 7.8 11.7 19.3 64 76 X F 0 0 121 -6,-0.7 -40,-0.1 -5,-0.2 -39,-0.1 -0.516 360.0 360.0 -72.4 360.0 9.2 10.6 16.0