==== 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 3TRY . COMPND 2 MOLECULE: D-VILLIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.E.MORTENSON,K.A.SATYSHUR,S.H.GELLMAN,K.T.FOREST . 34 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 61.8 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 . 2 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 1 0 0 1 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 X 0 0 123 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.5 10.0 -14.2 15.6 2 2 A X > + 0 0 49 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.210 360.0 94.3 73.1-174.9 11.0 -17.1 17.8 3 3 A X H > S- 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 126.7 -48.7 59.2 44.1 10.7 -20.7 16.6 4 4 A X H > S- 0 0 144 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.839 112.6 -47.0 64.4 37.5 14.3 -20.7 15.4 5 5 A X H > S- 0 0 84 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.916 111.0 -51.5 72.4 44.6 14.0 -17.4 13.6 6 6 A X H X S- 0 0 23 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.940 112.0 -47.5 53.8 50.1 10.8 -18.5 11.9 7 7 A X H X S- 0 0 105 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.880 108.3 -54.4 60.1 41.6 12.5 -21.7 10.7 8 8 A X H < S- 0 0 82 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.853 117.3 -36.6 62.4 37.2 15.6 -19.9 9.4 9 9 A X H < S- 0 0 57 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.936 128.8 -29.2 82.3 51.1 13.5 -17.6 7.3 10 10 A X H < S+ 0 0 22 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.674 94.8 129.4 88.2 20.0 10.7 -19.9 6.0 11 11 A G S < S- 0 0 60 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.2 0.629 81.3 -73.1 -77.7 -13.0 12.6 -23.2 6.1 12 12 A X S S+ 0 0 45 -6,-0.3 -2,-0.3 -5,-0.1 -1,-0.3 -0.953 86.7 97.5 148.2-164.4 9.8 -24.8 8.1 13 13 A X > + 0 0 71 -2,-0.3 4,-2.1 -3,-0.1 3,-0.2 -0.347 36.4 110.5 78.1-165.5 8.5 -24.7 11.7 14 14 A X H > S- 0 0 113 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.858 120.0 -55.7 63.9 36.4 5.5 -22.6 12.6 15 15 A X H > S- 0 0 87 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.807 109.0 -47.0 64.9 31.4 3.4 -25.7 13.2 16 16 A X H >4 S- 0 0 40 -3,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.879 110.9 -50.9 75.8 41.6 4.2 -26.8 9.6 17 17 A X H >< S- 0 0 18 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.868 104.9 -58.2 61.0 39.7 3.4 -23.4 8.2 18 18 A X H 3< S- 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.776 101.6 -55.8 60.8 29.2 0.0 -23.4 10.0 19 19 A X T << S- 0 0 138 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.392 88.4-100.7 88.4 -1.3 -1.0 -26.6 8.2 20 20 A X S < S+ 0 0 45 -3,-1.5 -3,-0.0 -4,-0.1 5,-0.0 -0.504 87.4 91.1 81.1-155.6 -0.4 -25.1 4.8 21 21 A X > + 0 0 53 -2,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.271 39.9 111.3 58.2-157.8 -3.3 -23.8 2.7 22 22 A X H > S- 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 117.2 -53.8 62.7 40.8 -4.1 -20.2 3.3 23 23 A X H > S- 0 0 171 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 108.2 -50.3 64.2 34.5 -2.9 -19.2 -0.2 24 24 A X H > S- 0 0 91 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 109.0 -52.1 68.4 42.0 0.5 -20.9 0.4 25 25 A X H X S- 0 0 35 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.923 112.5 -44.9 55.7 47.0 0.8 -19.1 3.7 26 26 A X H X S- 0 0 92 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.909 111.9 -53.0 65.4 43.5 0.1 -15.7 2.1 27 27 A X H X S- 0 0 93 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.932 110.7 -45.1 57.2 51.2 2.4 -16.5 -0.8 28 28 A X H X S- 0 0 33 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.897 111.5 -54.1 62.2 43.4 5.4 -17.3 1.4 29 29 A X H >X>S- 0 0 73 -4,-2.0 5,-2.0 -5,-0.2 4,-1.0 0.931 111.9 -42.3 58.2 49.0 4.8 -14.3 3.6 30 30 A X H 3<5S- 0 0 152 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 108.1 -60.0 70.8 32.1 4.9 -11.9 0.8 31 31 A X H 3<5S- 0 0 121 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.752 115.8 -36.3 60.0 24.6 7.8 -13.6 -0.8 32 32 A X H <<5S+ 0 0 99 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.508 116.0 115.7 105.3 11.2 9.6 -12.8 2.4 33 33 A G T <5 0 0 60 -4,-1.0 -3,-0.2 -5,-0.1 -4,-0.1 0.926 360.0 360.0 -76.6 -49.0 8.0 -9.4 3.0 34 34 A X < 0 0 131 -5,-2.0 -1,-0.1 -6,-0.1 -5,-0.1 -0.285 360.0 360.0 136.9 360.0 6.1 -10.1 6.2