==== 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 3TRV . COMPND 2 MOLECULE: L-VILLIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.E.MORTENSON,K.A.SATYSHUR,S.H.GELLMAN,K.T.FOREST . 70 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 65.7 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 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 45.7 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 0 2 0 0 2 2 0 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 1 A L 0 0 131 0, 0.0 2,-0.1 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 146.0 4.8 2.7 15.0 2 2 A S > - 0 0 50 1,-0.1 4,-2.1 12,-0.0 5,-0.2 -0.352 360.0-106.1 -71.9 164.3 8.0 4.7 14.5 3 3 A D H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 11,-0.2 0.903 124.5 48.2 -61.2 -38.6 9.2 5.5 11.0 4 4 A E H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.853 106.0 58.7 -71.8 -31.6 11.9 2.8 11.2 5 5 A D H > S+ 0 0 71 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.910 104.2 51.2 -57.8 -44.6 9.2 0.4 12.5 6 6 A F H X S+ 0 0 27 -4,-2.1 4,-2.9 1,-0.2 6,-0.6 0.938 111.0 48.3 -58.5 -44.9 7.2 1.0 9.3 7 7 A K H X S+ 0 0 111 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.904 115.4 44.1 -62.7 -41.7 10.4 0.3 7.2 8 8 A A H < S+ 0 0 88 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.881 120.9 38.9 -69.4 -41.3 11.1 -2.9 9.2 9 9 A V H < S+ 0 0 55 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.907 131.5 22.3 -77.5 -44.9 7.6 -4.2 9.2 10 10 A F H < S- 0 0 23 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.503 91.9-125.4-107.3 -10.4 6.4 -3.3 5.7 11 11 A G S < S+ 0 0 68 -4,-1.4 2,-0.3 -5,-0.5 -4,-0.2 0.805 85.7 71.2 66.9 29.7 9.6 -2.9 3.7 12 12 A M S S- 0 0 50 -6,-0.6 -2,-0.3 0, 0.0 -1,-0.2 -0.947 91.3 -80.5-162.9 166.4 8.6 0.6 2.6 13 13 A T > - 0 0 67 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.285 39.8-109.2 -72.8 162.1 8.2 4.0 4.2 14 14 A R H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 121.1 47.6 -50.2 -51.6 5.3 5.1 6.4 15 15 A S H > S+ 0 0 70 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.897 110.0 51.8 -65.7 -38.2 4.2 7.5 3.6 16 16 A A H >4 S+ 0 0 38 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.927 110.8 49.0 -61.9 -42.9 4.5 4.8 1.0 17 17 A X H >< S+ 0 0 34 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.924 109.8 50.5 -59.7 -46.4 2.4 2.4 3.1 18 18 A A H 3< S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.655 106.2 58.3 -69.4 -16.2 -0.3 5.1 3.6 19 19 A N T << S+ 0 0 142 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.460 84.3 102.6 -93.2 -3.0 -0.4 5.7 -0.1 20 20 A L S < S- 0 0 32 -3,-1.5 5,-0.1 -4,-0.4 -3,-0.0 -0.442 87.7 -90.3 -75.6 154.6 -1.3 2.2 -1.1 21 21 A P >> - 0 0 70 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.292 41.9-114.0 -53.8 151.0 -4.9 1.2 -2.0 22 22 A L H 3> S+ 0 0 124 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.839 114.0 58.0 -67.5 -32.6 -6.8 0.1 1.0 23 23 A W H 3> S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.869 110.0 46.9 -58.8 -35.9 -7.2 -3.6 -0.0 24 24 A K H <> S+ 0 0 78 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.908 109.7 50.6 -78.9 -41.8 -3.4 -3.7 -0.2 25 25 A Q H X S+ 0 0 19 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.938 113.5 48.1 -54.6 -46.6 -2.8 -2.0 3.2 26 26 A Q H X S+ 0 0 116 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.928 113.5 46.0 -63.2 -45.7 -5.3 -4.5 4.7 27 27 A H H X S+ 0 0 91 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.913 110.2 52.3 -65.1 -44.1 -3.7 -7.5 3.0 28 28 A L H < S+ 0 0 23 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.881 115.7 43.2 -62.1 -36.0 -0.1 -6.5 3.9 29 29 A K H ><>S+ 0 0 46 -4,-2.0 5,-2.6 -5,-0.3 3,-1.4 0.950 112.8 50.4 -68.7 -51.0 -1.3 -6.2 7.5 30 30 A K H ><5S+ 0 0 149 -4,-3.1 3,-1.6 1,-0.3 -2,-0.2 0.870 103.1 58.2 -62.4 -36.4 -3.3 -9.4 7.7 31 31 A E T 3<5S+ 0 0 109 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.728 111.3 44.7 -67.3 -17.8 -0.6 -11.6 6.3 32 32 A K T < 5S- 0 0 85 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.369 121.9-107.1 -97.6 -3.8 1.6 -10.5 9.2 33 33 A G T < 5S+ 0 0 58 -3,-1.6 -3,-0.2 -4,-0.4 2,-0.2 0.573 75.6 137.2 84.1 12.7 -1.2 -10.9 11.8 34 34 A L < 0 0 69 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.526 360.0 360.0 -93.1 160.5 -1.7 -7.1 12.1 35 35 A F 0 0 231 -2,-0.2 -1,-0.1 -6,-0.1 -5,-0.1 0.820 360.0 360.0-106.1 360.0 -4.9 -5.0 12.3 36 !* 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 37 1 B X 0 0 131 0, 0.0 2,-0.1 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0-145.0 4.8 -18.1 -19.0 38 2 B X > + 0 0 58 1,-0.1 4,-2.1 12,-0.0 5,-0.2 -0.350 360.0 106.4 70.7-163.5 1.6 -20.1 -18.6 39 3 B X H > S- 0 0 73 1,-0.2 4,-1.6 2,-0.2 11,-0.2 0.904 123.9 -48.6 59.7 39.5 0.5 -21.0 -15.1 40 4 B X H > S- 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 105.7 -59.1 70.8 31.1 -2.3 -18.4 -15.3 41 5 B X H > S- 0 0 71 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.924 103.3 -51.7 59.3 44.5 0.3 -15.8 -16.5 42 6 B X H X>S- 0 0 35 -4,-2.1 4,-2.9 1,-0.2 6,-0.6 0.934 110.2 -49.2 56.6 45.0 2.3 -16.3 -13.3 43 7 B X H X5S- 0 0 93 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.908 115.0 -43.8 61.9 42.0 -0.9 -15.7 -11.3 44 8 B X H <5S- 0 0 89 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.866 120.8 -39.3 70.5 39.3 -1.7 -12.5 -13.2 45 9 B X H <5S- 0 0 59 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.900 132.5 -19.8 78.7 44.3 1.8 -11.1 -13.2 46 10 B X H <5S+ 0 0 25 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.497 91.0 124.4 109.8 9.6 3.0 -12.1 -9.7 47 11 B G S < + 0 0 64 -2,-0.3 4,-2.8 -3,-0.1 5,-0.2 -0.347 36.8 106.9 79.5-165.0 1.6 -19.5 -8.6 50 14 B X H > S- 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 122.0 -48.5 47.2 52.3 4.6 -20.6 -10.6 51 15 B X H > S- 0 0 75 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.908 110.5 -49.7 60.9 45.2 5.5 -23.0 -7.7 52 16 B X H >4 S- 0 0 37 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.930 110.6 -50.8 62.4 43.5 5.2 -20.4 -5.1 53 17 B X H >< S- 0 0 14 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.936 109.6 -49.4 58.5 47.1 7.4 -17.9 -7.1 54 18 B X H 3< S- 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.641 106.1 -59.5 69.9 12.8 10.1 -20.5 -7.6 55 19 B X T << S- 0 0 138 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.397 85.1 -97.3 96.3 -1.3 10.0 -21.3 -3.8 56 20 B X S < S+ 0 0 39 -3,-1.6 5,-0.1 -4,-0.3 -3,-0.0 -0.518 91.3 88.5 79.9-157.7 10.9 -17.7 -2.8 57 21 B X >> + 0 0 73 -2,-0.2 4,-2.2 1,-0.1 3,-0.7 -0.303 42.2 112.1 60.8-154.1 14.5 -16.8 -2.0 58 22 B X H 3> S- 0 0 125 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.833 114.5 -58.2 66.2 32.9 16.4 -15.7 -5.1 59 23 B X H 3> S- 0 0 162 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.868 109.9 -46.6 60.2 36.3 16.8 -12.0 -4.1 60 24 B X H <> S- 0 0 68 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.902 109.5 -51.4 76.9 41.4 13.0 -11.9 -3.9 61 25 B X H X S- 0 0 27 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.948 113.4 -47.1 54.7 47.6 12.4 -13.6 -7.2 62 26 B X H X S- 0 0 138 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.926 113.7 -46.6 62.4 45.8 14.8 -11.1 -8.8 63 27 B X H X S- 0 0 89 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.907 109.2 -53.3 64.3 43.8 13.2 -8.1 -7.1 64 28 B X H < S- 0 0 23 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.872 116.3 -41.3 61.0 36.2 9.7 -9.1 -8.0 65 29 B X H ><>S- 0 0 51 -4,-1.8 5,-2.5 -5,-0.3 3,-1.4 0.942 113.3 -51.8 71.7 50.4 10.8 -9.4 -11.6 66 30 B X H ><5S- 0 0 152 -4,-3.1 3,-1.8 1,-0.3 -2,-0.2 0.881 102.5 -58.0 59.7 40.5 12.9 -6.3 -11.7 67 31 B X T 3<5S- 0 0 108 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.746 110.4 -45.7 63.7 20.7 10.3 -4.0 -10.3 68 32 B X T < 5S+ 0 0 83 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.359 121.0 107.2 95.7 1.1 8.1 -5.0 -13.3 69 33 B G T < 5S- 0 0 58 -3,-1.8 -3,-0.2 -4,-0.4 2,-0.2 0.589 76.4-136.1 -81.3 -12.7 10.9 -4.6 -15.9 70 34 B X < 0 0 70 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.534 360.0 360.0 93.6-160.2 11.2 -8.4 -16.3 71 35 B X 0 0 223 -2,-0.2 -9,-0.0 -3,-0.1 -1,-0.0 -0.911 360.0 360.0 108.6 360.0 14.4 -10.5 -16.4