==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 11-SEP-11 3TRW . COMPND 2 MOLECULE: VILLIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.E.MORTENSON,K.A.SATYSHUR,S.H.GELLMAN,K.T.FOREST . 68 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 63.2 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 . 7 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 2 0 0 2 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 1 A L 0 0 103 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.3 6.0 -3.5 2.8 2 2 A S > - 0 0 65 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.252 360.0-105.3 -57.9 163.4 2.3 -3.1 2.3 3 3 A D H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.867 122.1 54.6 -63.2 -36.8 1.2 0.5 2.8 4 4 A E H > S+ 0 0 148 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 110.4 44.1 -65.2 -43.8 -0.3 -0.5 6.2 5 5 A D H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.816 108.1 61.8 -66.8 -30.7 2.9 -2.0 7.4 6 6 A F H X S+ 0 0 4 -4,-1.9 4,-3.1 1,-0.2 5,-0.5 0.943 106.0 44.7 -59.4 -47.4 4.7 1.1 6.0 7 7 A K H X S+ 0 0 109 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.871 111.7 51.9 -66.2 -37.7 2.8 3.3 8.3 8 8 A A H < S+ 0 0 70 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.829 118.1 39.4 -66.2 -31.1 3.4 0.9 11.3 9 9 A V H < S+ 0 0 42 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.882 128.8 26.1 -89.0 -43.9 7.1 1.0 10.6 10 10 A F H < S- 0 0 11 -4,-3.1 -3,-0.2 2,-0.3 -2,-0.2 0.617 95.8-124.6 -99.0 -17.1 7.8 4.6 9.6 11 11 A G S < S+ 0 0 45 -4,-1.7 2,-0.3 -5,-0.5 -4,-0.2 0.613 83.3 64.7 86.0 10.9 4.9 6.4 11.5 12 12 A M S S- 0 0 48 -6,-0.4 -2,-0.3 -5,-0.0 -1,-0.2 -0.985 90.4 -87.9-157.9 156.8 3.6 8.1 8.3 13 13 A T > - 0 0 67 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.232 42.9-108.3 -61.7 159.1 2.0 7.2 5.0 14 14 A R H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.821 120.1 55.2 -55.9 -35.1 4.2 6.4 2.0 15 15 A S H 4 S+ 0 0 94 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.850 107.1 47.1 -74.1 -30.2 3.1 9.7 0.5 16 16 A A H >4 S+ 0 0 43 -3,-0.4 3,-1.6 1,-0.2 4,-0.3 0.944 113.3 51.5 -68.8 -43.3 4.2 11.8 3.5 17 17 A F H >< S+ 0 0 9 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.844 104.1 55.6 -61.1 -39.1 7.5 9.8 3.5 18 18 A A T 3< S+ 0 0 65 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.631 100.8 61.4 -69.9 -12.4 8.0 10.6 -0.2 19 19 A N T < S+ 0 0 152 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.510 86.4 98.2 -91.1 -3.8 7.8 14.3 0.6 20 20 A L S < S- 0 0 53 -3,-1.4 5,-0.1 -4,-0.3 -3,-0.0 -0.452 91.5 -86.6 -81.8 153.9 10.8 14.1 2.9 21 21 A P >> - 0 0 81 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.317 40.8-119.1 -55.4 142.6 14.3 15.2 1.9 22 22 A L H 3> S+ 0 0 113 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.853 112.6 56.8 -55.0 -37.5 16.0 12.2 0.3 23 23 A A H 3> S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.848 109.4 46.5 -67.8 -28.7 18.8 12.2 2.9 24 24 A K H <> S+ 0 0 115 -3,-1.0 4,-3.1 2,-0.2 -1,-0.2 0.856 107.5 56.0 -81.8 -35.4 16.2 11.8 5.6 25 25 A Q H X S+ 0 0 42 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.964 111.6 44.3 -53.8 -49.9 14.4 9.1 3.7 26 26 A Q H X S+ 0 0 105 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.926 112.8 52.2 -62.8 -44.1 17.6 7.1 3.6 27 27 A H H X S+ 0 0 107 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.946 109.2 48.4 -55.3 -54.0 18.3 7.9 7.2 28 28 A L H X S+ 0 0 38 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.870 111.4 51.2 -56.4 -39.7 14.9 6.7 8.3 29 29 A K H X>S+ 0 0 81 -4,-2.3 5,-2.4 -5,-0.2 4,-0.8 0.922 111.3 46.2 -64.0 -44.8 15.4 3.5 6.2 30 30 A K H ><5S+ 0 0 167 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.961 110.4 55.1 -59.6 -49.6 18.8 2.8 7.8 31 31 A E H 3<5S+ 0 0 90 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.837 113.8 40.0 -53.3 -36.7 17.3 3.5 11.3 32 32 A K H 3<5S- 0 0 58 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.544 109.3-123.5 -88.9 -7.0 14.6 0.8 10.6 33 33 A G T <<5 0 0 63 -3,-1.4 -3,-0.2 -4,-0.8 -2,-0.1 0.856 360.0 360.0 61.8 37.2 17.0 -1.6 8.9 34 34 A L < 0 0 111 -5,-2.4 -1,-0.1 -6,-0.2 -5,-0.1 0.071 360.0 360.0-125.4 360.0 14.8 -1.6 5.8 35 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 1 D L 0 0 111 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.3 16.9 18.7 23.7 37 2 D S > - 0 0 59 1,-0.1 4,-2.5 4,-0.0 5,-0.1 -0.260 360.0-107.4 -62.6 170.0 20.4 18.2 24.9 38 3 D D H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.884 123.4 55.8 -72.4 -34.8 21.2 14.5 25.8 39 4 D E H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 112.4 40.1 -54.7 -53.7 21.2 15.6 29.4 40 5 D D H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.855 111.6 57.9 -70.0 -36.6 17.6 17.0 29.1 41 6 D F H X S+ 0 0 15 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.957 110.1 43.5 -54.6 -51.7 16.6 14.1 26.9 42 7 D K H X S+ 0 0 94 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.883 112.4 53.6 -60.9 -42.1 17.5 11.7 29.7 43 8 D A H < S+ 0 0 83 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.853 117.0 37.6 -60.8 -39.3 15.9 13.9 32.3 44 9 D V H < S+ 0 0 48 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.888 129.5 27.6 -81.7 -44.7 12.6 14.0 30.4 45 10 D F H < S- 0 0 19 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.656 94.8-127.1 -97.4 -19.6 12.4 10.4 29.1 46 11 D G S < S+ 0 0 66 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.565 82.0 65.6 83.6 9.6 14.4 8.5 31.7 47 12 D M S S- 0 0 55 -6,-0.4 -2,-0.3 -5,-0.1 -1,-0.2 -0.972 88.0 -91.1-151.0 163.3 16.7 6.9 29.2 48 13 D T > - 0 0 54 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.256 41.8-106.1 -67.7 167.3 19.3 7.8 26.6 49 14 D R H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.856 120.4 56.5 -61.0 -37.8 18.5 8.6 23.0 50 15 D S H 4 S+ 0 0 92 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.886 108.7 44.5 -63.0 -42.5 19.9 5.2 22.0 51 16 D A H >4 S+ 0 0 46 2,-0.2 3,-1.7 1,-0.2 4,-0.4 0.954 113.4 51.0 -66.7 -48.0 17.6 3.3 24.3 52 17 D F H >< S+ 0 0 12 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.877 105.8 55.8 -56.0 -41.0 14.6 5.4 23.2 53 18 D A T 3< S+ 0 0 40 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.663 101.9 59.0 -68.7 -12.5 15.4 4.7 19.6 54 19 D N T < S+ 0 0 150 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.521 86.8 98.1 -93.5 -3.9 15.3 1.0 20.3 55 20 D L S < S- 0 0 54 -3,-1.4 5,-0.1 -4,-0.4 -3,-0.0 -0.440 90.7 -85.8 -77.6 156.9 11.7 1.1 21.5 56 21 D P >> - 0 0 82 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.285 40.6-118.5 -58.4 147.4 8.7 0.1 19.3 57 22 D L H 3> S+ 0 0 30 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.884 113.9 57.6 -60.0 -42.0 7.6 3.2 17.3 58 23 D A H 3> S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.855 108.8 47.6 -55.9 -34.3 4.1 3.2 18.9 59 24 D K H <> S+ 0 0 115 -3,-0.7 4,-3.1 2,-0.2 -1,-0.2 0.858 107.7 53.8 -77.6 -35.8 5.9 3.5 22.3 60 25 D Q H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.946 111.6 46.8 -59.4 -46.9 8.1 6.2 21.2 61 26 D Q H X S+ 0 0 97 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.917 113.2 48.6 -61.4 -44.4 5.0 8.1 20.0 62 27 D H H X S+ 0 0 107 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.955 109.8 51.0 -63.3 -50.6 3.2 7.4 23.3 63 28 D L H X S+ 0 0 33 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.921 111.8 47.4 -50.0 -52.3 6.2 8.5 25.4 64 29 D K H X>S+ 0 0 66 -4,-2.4 5,-3.0 1,-0.2 4,-1.0 0.891 113.8 47.2 -58.2 -42.5 6.5 11.8 23.5 65 30 D K H <5S+ 0 0 161 -4,-2.2 3,-0.4 2,-0.2 -1,-0.2 0.897 110.0 53.7 -65.2 -39.6 2.7 12.4 23.8 66 31 D E H <5S+ 0 0 118 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.884 113.1 43.0 -64.4 -38.5 2.8 11.5 27.5 67 32 D K H <5S- 0 0 93 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.588 113.5-117.1 -80.8 -13.5 5.6 14.2 28.0 68 33 D G T <5 0 0 64 -4,-1.0 -3,-0.2 -3,-0.4 -4,-0.1 0.783 360.0 360.0 78.6 28.2 3.9 16.8 25.8 69 34 D L < 0 0 121 -5,-3.0 -5,-0.1 -6,-0.2 -4,-0.1 0.414 360.0 360.0-131.5 360.0 6.8 16.7 23.4