==== 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 1YU8 . 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) . 4434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 60.9 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 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 17.2 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 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 13 X L 0 0 153 0, 0.0 2,-0.4 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 123.0 10.1 28.5 19.1 2 14 X E - 0 0 95 18,-0.5 2,-0.3 2,-0.0 0, 0.0 -0.817 360.0-158.2 -99.4 134.4 6.7 27.2 19.9 3 15 X T - 0 0 81 -2,-0.4 27,-0.2 18,-0.1 26,-0.1 -0.842 9.0-173.2-109.9 150.9 6.3 24.6 22.7 4 16 X F - 0 0 44 25,-2.6 27,-0.4 -2,-0.3 5,-0.0 -0.957 34.1 -85.5-140.0 155.6 3.3 22.2 23.1 5 17 X P >> - 0 0 79 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.268 39.6-116.6 -60.3 148.4 2.2 19.7 25.8 6 18 X L H 3> S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.906 114.6 55.8 -50.9 -46.2 3.6 16.3 25.5 7 19 X D H 3> S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.838 107.1 49.8 -61.2 -33.1 0.2 14.8 24.9 8 20 X V H <4 S+ 0 0 52 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.912 111.0 48.2 -70.7 -42.4 -0.4 17.1 21.9 9 21 X L H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.869 119.6 39.2 -67.9 -33.5 3.0 16.2 20.3 10 22 X V H < S+ 0 0 40 -4,-2.4 2,-0.5 -5,-0.2 -2,-0.2 0.913 119.9 42.8 -80.6 -43.4 2.4 12.5 20.8 11 23 X N S < S+ 0 0 109 -4,-2.5 2,-0.4 -5,-0.3 -1,-0.2 -0.415 85.8 102.0-109.2 58.5 -1.3 12.3 20.0 12 24 X T S S- 0 0 44 -2,-0.5 5,-0.1 -3,-0.4 2,-0.1 -0.998 71.2-111.0-137.7 138.7 -1.9 14.5 16.9 13 25 X A >> - 0 0 45 -2,-0.4 3,-0.9 1,-0.1 4,-0.7 -0.393 33.5-114.9 -65.4 144.8 -2.4 13.5 13.3 14 26 X A G >4 S+ 0 0 81 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.870 116.9 47.3 -48.3 -47.4 0.4 14.5 11.0 15 27 X E G 34 S+ 0 0 161 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.764 111.8 52.9 -68.8 -23.4 -1.7 17.0 9.0 16 28 X D G <4 S+ 0 0 116 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.471 79.6 122.2 -90.0 -5.5 -3.1 18.4 12.3 17 29 X L S << S- 0 0 23 -3,-1.0 -8,-0.1 -4,-0.7 -3,-0.0 -0.308 77.5 -96.4 -60.9 138.7 0.3 19.1 13.8 18 30 X P > - 0 0 34 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.303 32.0-121.3 -55.0 141.4 0.8 22.8 14.7 19 31 X R T 3 S+ 0 0 232 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.795 108.2 61.8 -56.1 -31.4 2.6 24.6 11.9 20 32 X G T 3 S+ 0 0 21 2,-0.1 -18,-0.5 -17,-0.0 2,-0.5 0.355 83.9 93.5 -80.8 6.0 5.4 25.6 14.3 21 33 X V < - 0 0 9 -3,-1.9 5,-0.1 -20,-0.1 -18,-0.1 -0.877 69.9-139.7-103.6 126.2 6.5 22.0 15.1 22 34 X D > - 0 0 82 -2,-0.5 3,-2.0 3,-0.3 6,-0.2 -0.724 15.2-150.1 -78.1 113.4 9.3 20.3 13.2 23 35 X P T 3 S+ 0 0 74 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.727 94.8 53.3 -59.7 -21.0 7.9 16.8 12.9 24 36 X S T 3 S+ 0 0 94 1,-0.2 3,-0.1 40,-0.1 -2,-0.0 0.472 116.7 36.8 -91.2 -4.6 11.4 15.3 12.9 25 37 X A X + 0 0 11 -3,-2.0 3,-1.8 1,-0.1 4,-0.4 -0.272 64.4 149.0-142.5 51.4 12.4 17.1 16.1 26 38 X K G > + 0 0 19 37,-0.5 3,-2.0 -3,-0.4 4,-0.1 0.822 68.1 69.4 -56.3 -32.8 9.3 17.0 18.3 27 39 X E G > S+ 0 0 11 1,-0.3 3,-1.3 36,-0.2 -1,-0.3 0.788 89.6 62.3 -58.5 -27.6 11.5 16.9 21.4 28 40 X N G < S+ 0 0 81 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.685 100.3 55.6 -70.4 -17.1 12.6 20.5 20.7 29 41 X H G < S+ 0 0 10 -3,-2.0 -25,-2.6 -4,-0.4 2,-0.3 0.288 86.5 97.8-100.3 8.8 9.0 21.6 21.1 30 42 X L S < S- 0 0 1 -3,-1.3 -3,-0.0 -27,-0.2 -27,-0.0 -0.682 83.5-107.0 -91.5 148.9 8.6 20.1 24.6 31 43 X S > - 0 0 43 -27,-0.4 4,-2.8 -2,-0.3 5,-0.2 -0.290 35.5-104.9 -64.9 163.9 9.0 22.3 27.6 32 44 X D H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 123.7 52.6 -58.4 -38.2 12.2 21.8 29.5 33 45 X E H > S+ 0 0 152 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 111.0 44.9 -63.5 -46.3 10.2 20.0 32.2 34 46 X D H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.901 112.0 52.3 -67.0 -38.7 8.6 17.6 29.7 35 47 X F H X>S+ 0 0 6 -4,-2.8 4,-3.0 1,-0.2 5,-0.7 0.935 111.3 47.4 -61.3 -44.8 11.9 16.9 28.0 36 48 X K H X5S+ 0 0 156 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.908 114.6 46.7 -62.0 -43.0 13.5 16.1 31.4 37 49 X A H <5S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.888 118.5 40.8 -67.1 -41.1 10.5 13.8 32.3 38 50 X V H <5S+ 0 0 21 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.928 130.5 21.3 -75.5 -46.4 10.5 12.0 28.9 39 51 X F H <5S- 0 0 19 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.760 80.6-146.3 -99.2 -27.9 14.2 11.6 28.2 40 52 X G S < - 0 0 94 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.324 38.6-113.1 -72.6 161.4 19.9 17.0 29.1 43 55 X R H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.868 119.1 52.4 -60.4 -37.3 19.0 18.2 25.6 44 56 X S H > S+ 0 0 75 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.894 107.8 49.8 -65.8 -41.8 22.7 18.4 24.8 45 57 X A H 4 S+ 0 0 39 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.926 112.2 48.7 -63.9 -41.8 23.3 14.8 25.9 46 58 X F H >< S+ 0 0 3 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.934 109.1 52.3 -63.1 -43.5 20.4 13.6 23.8 47 59 X A H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.716 103.8 59.8 -64.2 -21.7 21.7 15.6 20.8 48 60 X N T 3< S+ 0 0 127 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.556 85.0 94.1 -85.2 -8.7 25.0 13.8 21.2 49 61 X L S < S- 0 0 52 -3,-1.5 5,-0.1 -4,-0.5 -3,-0.0 -0.509 96.6 -88.6 -75.8 153.2 23.5 10.4 20.8 50 62 X P >> - 0 0 64 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.309 39.1-113.8 -59.6 150.1 23.6 9.1 17.2 51 63 X L H 3> S+ 0 0 113 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.894 115.9 55.2 -53.3 -45.2 20.6 10.2 15.1 52 64 X W H 3> S+ 0 0 153 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.831 108.7 48.6 -60.9 -31.0 19.3 6.6 14.8 53 65 X K H <> S+ 0 0 85 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.880 108.5 51.8 -77.7 -38.1 19.4 6.2 18.6 54 66 X Q H X S+ 0 0 27 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.943 113.4 47.3 -57.7 -47.6 17.5 9.5 19.2 55 67 X Q H X S+ 0 0 62 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.919 110.4 50.6 -60.3 -45.5 14.9 8.2 16.7 56 68 X N H X S+ 0 0 63 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.891 110.2 49.2 -63.3 -39.4 14.7 4.8 18.3 57 69 X L H X S+ 0 0 50 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.918 112.0 50.1 -63.9 -42.6 14.2 6.3 21.7 58 70 X K H <>S+ 0 0 7 -4,-2.2 5,-2.3 -5,-0.2 6,-0.8 0.832 99.0 67.6 -66.0 -31.7 11.5 8.6 20.3 59 71 X K H ><5S+ 0 0 101 -4,-2.0 3,-1.4 1,-0.2 5,-0.2 0.942 104.3 40.1 -57.4 -51.5 9.6 5.8 18.6 60 72 X E H 3<5S+ 0 0 196 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 112.9 57.0 -69.5 -25.9 8.4 4.0 21.7 61 73 X K T 3<5S- 0 0 85 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.423 114.7-115.8 -82.0 0.7 7.7 7.3 23.4 62 74 X G T < 5S+ 0 0 32 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.598 89.1 106.8 76.4 14.3 5.4 8.3 20.5 63 75 X L < 0 0 0 -5,-2.3 -37,-0.5 -6,-0.1 -4,-0.2 0.321 360.0 360.0-107.7 5.7 7.5 11.2 19.4 64 76 X F 0 0 128 -6,-0.8 -40,-0.1 -5,-0.2 -39,-0.1 -0.543 360.0 360.0 -76.0 360.0 9.1 9.9 16.2