==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 16-OCT-07 2RJY . COMPND 2 MOLECULE: VILLIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.MENG,C.J.MCKNIGHT . 64 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 56.2 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 . 0 0.0 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 A L 0 0 164 0, 0.0 20,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 150.4 10.6 27.6 18.7 2 14 A E - 0 0 103 18,-0.3 2,-0.3 1,-0.1 0, 0.0 -0.325 360.0-145.6 -62.1 141.4 6.9 27.2 19.7 3 15 A T - 0 0 84 18,-0.1 27,-0.2 -2,-0.0 26,-0.1 -0.820 15.7-175.3-113.0 154.4 6.2 24.6 22.4 4 16 A F - 0 0 43 25,-2.5 27,-0.3 -2,-0.3 5,-0.1 -0.971 36.9 -83.0-143.0 154.7 3.2 22.3 22.9 5 17 A P >> - 0 0 80 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.226 40.2-116.6 -58.4 148.4 2.1 19.8 25.6 6 18 A L H 3> S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.896 114.4 55.9 -51.1 -45.8 3.5 16.3 25.3 7 19 A D H 3> S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.838 106.6 50.2 -61.4 -33.1 0.1 14.8 24.7 8 20 A V H <4 S+ 0 0 52 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.910 111.0 48.2 -70.5 -41.7 -0.5 17.1 21.7 9 21 A L H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.862 119.3 39.3 -68.8 -32.8 2.9 16.2 20.1 10 22 A V H < S+ 0 0 39 -4,-2.2 2,-0.5 -5,-0.2 -2,-0.2 0.911 120.0 43.0 -81.7 -42.5 2.3 12.5 20.6 11 23 A N S < S+ 0 0 109 -4,-2.5 2,-0.4 -5,-0.3 -1,-0.2 -0.415 85.7 100.0-110.1 59.2 -1.3 12.3 19.7 12 24 A T S S- 0 0 42 -2,-0.5 5,-0.1 -3,-0.4 2,-0.1 -0.998 71.7-111.9-138.9 137.7 -2.0 14.5 16.7 13 25 A A >> - 0 0 58 -2,-0.4 3,-1.1 1,-0.1 4,-0.8 -0.414 33.5-114.5 -66.7 145.8 -2.4 13.4 13.1 14 26 A A G >4 S+ 0 0 90 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.884 117.2 51.0 -47.1 -49.5 0.4 14.6 10.8 15 27 A E G 34 S+ 0 0 169 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.783 111.2 50.2 -62.4 -26.4 -1.9 16.9 8.8 16 28 A D G <4 S+ 0 0 115 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.495 79.6 123.7 -91.6 -6.0 -3.2 18.4 12.1 17 29 A L S << S- 0 0 27 -3,-1.2 -8,-0.1 -4,-0.8 -3,-0.0 -0.260 76.0 -96.7 -56.3 140.1 0.2 19.1 13.6 18 30 A P > - 0 0 33 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.312 32.2-120.2 -57.5 143.9 0.7 22.8 14.6 19 31 A R T 3 S+ 0 0 234 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.800 108.5 63.0 -57.4 -30.7 2.5 24.6 11.8 20 32 A G T 3 S+ 0 0 18 2,-0.1 2,-0.5 -17,-0.0 -18,-0.3 0.326 83.5 93.4 -80.6 8.4 5.3 25.6 14.2 21 33 A V < - 0 0 9 -3,-1.8 5,-0.1 -20,-0.1 -18,-0.1 -0.895 69.4-140.5-106.7 127.3 6.4 22.0 15.0 22 34 A D > - 0 0 74 -2,-0.5 3,-1.9 3,-0.3 6,-0.2 -0.739 16.4-150.2 -78.9 112.4 9.2 20.3 13.0 23 35 A P T 3 S+ 0 0 73 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.723 94.2 53.2 -60.8 -19.1 7.8 16.8 12.7 24 36 A S T 3 S+ 0 0 78 1,-0.2 3,-0.1 40,-0.1 -2,-0.0 0.530 116.9 37.1 -91.4 -7.2 11.2 15.3 12.6 25 37 A R X + 0 0 79 -3,-1.9 3,-1.8 1,-0.1 4,-0.4 -0.301 64.5 149.6-139.6 52.7 12.3 17.0 15.8 26 38 A K G > + 0 0 19 37,-0.5 3,-2.1 -3,-0.5 4,-0.1 0.828 68.8 68.5 -56.7 -33.0 9.2 17.0 18.0 27 39 A E G > S+ 0 0 2 1,-0.3 3,-1.3 36,-0.2 -1,-0.3 0.794 89.9 62.7 -57.8 -27.6 11.4 16.9 21.1 28 40 A N G < S+ 0 0 62 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.660 100.4 55.1 -72.0 -13.0 12.6 20.4 20.4 29 41 A H G < S+ 0 0 2 -3,-2.1 -25,-2.5 -4,-0.4 2,-0.3 0.283 86.0 99.3-104.3 10.5 9.0 21.6 20.8 30 42 A L S < S- 0 0 0 -3,-1.3 -3,-0.0 -27,-0.2 -27,-0.0 -0.676 83.0-106.4 -90.5 149.6 8.6 20.1 24.3 31 43 A S > - 0 0 41 -27,-0.3 4,-2.8 -2,-0.3 5,-0.2 -0.295 35.9-105.3 -65.6 162.4 8.9 22.4 27.3 32 44 A D H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 123.3 53.1 -58.3 -37.5 12.1 21.9 29.2 33 45 A E H > S+ 0 0 147 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 110.7 44.3 -64.1 -45.7 10.1 20.2 31.9 34 46 A D H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.891 111.7 53.6 -67.8 -37.4 8.5 17.7 29.5 35 47 A F H X>S+ 0 0 6 -4,-2.8 4,-2.9 1,-0.2 5,-0.6 0.947 111.0 46.7 -61.1 -45.8 11.8 17.1 27.7 36 48 A K H X5S+ 0 0 153 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.908 114.4 47.6 -61.4 -44.1 13.4 16.2 31.1 37 49 A A H <5S+ 0 0 78 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.905 118.0 40.6 -64.3 -41.8 10.5 14.0 32.0 38 50 A V H <5S+ 0 0 23 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.924 130.2 22.1 -75.5 -45.6 10.4 12.2 28.7 39 51 A F H <5S- 0 0 18 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.757 81.4-145.0 -99.9 -27.3 14.1 11.7 28.0 40 52 A G S < - 0 0 94 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.322 39.1-113.9 -72.0 161.3 19.8 17.1 28.9 43 55 A R H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.870 118.6 52.1 -61.7 -36.8 18.9 18.3 25.4 44 56 A S H > S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.907 107.8 50.6 -67.2 -40.5 22.6 18.4 24.5 45 57 A A H 4 S+ 0 0 39 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.922 111.8 48.1 -63.5 -40.9 23.2 14.9 25.7 46 58 A F H >< S+ 0 0 3 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.932 109.0 53.2 -64.6 -42.1 20.2 13.7 23.6 47 59 A A H 3< S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 104.0 58.6 -63.9 -22.8 21.6 15.6 20.5 48 60 A N T 3< S+ 0 0 127 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.550 84.9 94.5 -85.2 -10.0 24.9 13.8 21.0 49 61 A L S < S- 0 0 52 -3,-1.5 5,-0.1 -4,-0.5 -3,-0.0 -0.514 97.4 -88.4 -73.4 153.5 23.3 10.4 20.6 50 62 A P >> - 0 0 62 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.341 38.9-114.0 -61.7 148.5 23.5 9.1 17.1 51 63 A L H 3> S+ 0 0 95 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.876 115.8 54.9 -50.7 -44.8 20.5 10.2 15.0 52 64 A W H 3> S+ 0 0 155 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.839 108.9 48.4 -62.2 -31.2 19.2 6.7 14.6 53 65 A K H <> S+ 0 0 85 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.879 108.6 52.2 -76.8 -37.9 19.3 6.2 18.4 54 66 A Q H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.936 113.1 47.3 -57.8 -46.2 17.4 9.5 19.0 55 67 A Q H X S+ 0 0 65 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.918 110.2 50.9 -61.5 -45.7 14.9 8.2 16.5 56 68 A N H X S+ 0 0 56 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.895 110.6 48.7 -62.3 -40.8 14.6 4.8 18.1 57 69 A L H X S+ 0 0 46 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.924 112.3 49.9 -63.4 -42.1 14.0 6.3 21.6 58 70 A K H <>S+ 0 0 5 -4,-2.2 5,-2.4 -5,-0.2 6,-0.7 0.851 101.0 63.4 -66.0 -35.1 11.4 8.6 20.1 59 71 A K H ><5S+ 0 0 92 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.936 104.7 45.0 -57.1 -49.3 9.5 5.8 18.4 60 72 A E H 3<5S+ 0 0 170 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 113.0 52.9 -62.1 -34.1 8.6 4.0 21.6 61 73 A K T 3<5S- 0 0 85 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.398 115.3-113.5 -83.6 0.9 7.6 7.4 23.2 62 74 A G T < 5S+ 0 0 32 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.609 90.4 106.9 77.4 14.0 5.3 8.3 20.3 63 75 A L < 0 0 0 -5,-2.4 -37,-0.5 -6,-0.1 -4,-0.2 0.317 360.0 360.0-107.7 5.9 7.4 11.2 19.2 64 76 A F 0 0 129 -6,-0.7 -40,-0.1 -5,-0.2 -39,-0.1 -0.454 360.0 360.0 -71.7 360.0 9.0 9.8 16.0