==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 01-MAY-07 2PPZ . COMPND 2 MOLECULE: VILLIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR W.GRONWALD,T.HOHM,D.HOFFMANN . 36 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 58.3 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 . 6 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 41.7 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+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 1 0 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 1 A M 0 0 245 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.1 -7.2 -10.4 3.9 2 2 A L - 0 0 95 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.837 360.0-120.0-163.9 121.2 -4.1 -9.0 5.4 3 3 A S > - 0 0 92 -2,-0.3 4,-1.2 1,-0.1 0, 0.0 -0.121 31.3-112.1 -57.6 157.3 -3.2 -8.2 9.1 4 4 A D H > S+ 0 0 106 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.876 120.6 47.5 -59.4 -39.0 -2.4 -4.6 10.0 5 5 A E H >> S+ 0 0 140 1,-0.2 3,-0.7 2,-0.2 4,-0.7 0.854 105.6 58.2 -71.1 -35.8 1.2 -5.6 10.6 6 6 A D H 3> S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.751 90.7 74.6 -65.5 -23.8 1.4 -7.5 7.3 7 7 A F H 3X S+ 0 0 52 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.2 0.913 97.0 45.4 -55.1 -46.0 0.5 -4.2 5.6 8 8 A K H > - 0 0 84 -2,-0.3 4,-2.4 1,-0.2 3,-0.7 -0.264 41.8-155.9 -50.4 103.3 7.1 2.5 6.5 15 15 A R H 3> S+ 0 0 58 -2,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.781 92.9 60.2 -53.8 -27.2 3.3 2.3 6.2 16 16 A S H 34 S+ 0 0 83 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.921 108.3 40.4 -67.9 -45.3 3.2 5.1 8.7 17 17 A A H <4 S+ 0 0 56 -3,-0.7 3,-0.4 1,-0.2 -2,-0.2 0.842 119.3 46.7 -72.0 -34.4 5.2 7.5 6.4 18 18 A F H >< S+ 0 0 52 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.855 101.1 64.8 -75.5 -36.5 3.3 6.3 3.4 19 19 A A T 3< S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.714 83.1 79.7 -59.1 -19.8 -0.1 6.5 5.1 20 20 A N T 3 S+ 0 0 132 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.703 87.4 72.0 -61.4 -18.5 0.6 10.3 5.2 21 21 A L S < S- 0 0 90 -3,-2.3 5,-0.0 1,-0.1 -3,-0.0 -0.598 94.7 -95.3 -98.2 160.4 -0.5 10.3 1.6 22 22 A P >> - 0 0 78 0, 0.0 3,-1.2 0, 0.0 4,-0.6 -0.236 32.6-110.5 -69.7 160.4 -4.1 9.9 0.1 23 23 A L H 3> S+ 0 0 136 1,-0.3 4,-1.1 2,-0.2 3,-0.3 0.706 109.9 80.2 -64.3 -19.0 -5.4 6.6 -1.1 24 24 A W H >4 S+ 0 0 206 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.889 94.4 44.8 -54.9 -42.1 -5.3 8.0 -4.6 25 25 A K H X> S+ 0 0 98 -3,-1.2 4,-1.3 1,-0.2 3,-0.9 0.745 104.2 64.7 -74.4 -23.9 -1.5 7.3 -4.7 26 26 A Q H 3X S+ 0 0 40 -4,-0.6 4,-2.2 -3,-0.3 -1,-0.2 0.752 86.0 72.6 -70.0 -24.1 -2.2 3.8 -3.3 27 27 A Q H S+ 0 0 89 -3,-0.9 4,-1.9 -4,-0.3 3,-0.5 0.892 108.4 56.6 -81.6 -43.8 -0.8 2.8 -8.3 29 29 A L H X S+ 0 0 22 -4,-1.3 4,-1.4 1,-0.3 5,-0.4 0.901 104.7 53.6 -54.3 -44.0 1.2 1.0 -5.6 30 30 A K H < S+ 0 0 101 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.847 111.1 46.3 -60.4 -34.8 -1.4 -1.9 -5.7 31 31 A K H < S+ 0 0 166 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.757 103.1 64.3 -78.8 -26.0 -0.9 -2.1 -9.4 32 32 A E H < S- 0 0 132 -4,-1.9 -2,-0.2 -3,-0.1 -1,-0.2 0.859 133.6 -9.5 -65.2 -36.0 2.9 -2.0 -9.0 33 33 A K S < S+ 0 0 126 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.606 124.4 61.2-125.0 -68.4 2.8 -5.3 -7.1 34 34 A L - 0 0 81 -5,-0.4 0, 0.0 1,-0.1 0, 0.0 0.100 65.3-143.6 -56.1 177.5 -0.7 -6.5 -6.2 35 35 A L 0 0 156 1,-0.4 -1,-0.1 -3,-0.0 -5,-0.0 0.753 360.0 360.0-112.7 -51.4 -3.3 -7.3 -8.9 36 36 A F 0 0 223 -6,-0.0 -1,-0.4 -5,-0.0 -2,-0.0 -0.727 360.0 360.0-129.9 360.0 -6.6 -6.2 -7.5