==== 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 TOXIN 30-MAR-07 2PCO . COMPND 2 MOLECULE: LATARCIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.V.DUBOVSKII,P.E.VOLYNSKY,A.A.POLYANSKY,V.V.CHUPIN, . 26 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 57.7 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 . 1 3.8 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+3), SAME NUMBER PER 100 RESIDUES . 14 53.8 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 0 0 0 0 0 0 0 0 0 0 0 0 1 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 S 0 0 126 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 149.0 12.1 5.1 7.9 2 2 A M + 0 0 193 2,-0.1 2,-0.4 0, 0.0 0, 0.0 0.702 360.0 63.9 -85.8 -24.5 15.1 6.4 6.0 3 3 A W S S- 0 0 141 1,-0.1 4,-0.1 2,-0.0 2,-0.1 -0.796 84.5-124.3-103.9 143.0 17.3 6.2 9.1 4 4 A S - 0 0 76 2,-0.4 -2,-0.1 -2,-0.4 -1,-0.1 -0.309 36.6 -97.0 -74.4 166.5 18.2 3.0 10.9 5 5 A G S S+ 0 0 89 2,-0.1 2,-0.5 -2,-0.1 3,-0.4 0.902 117.7 64.5 -51.7 -46.8 17.6 2.6 14.6 6 6 A M + 0 0 95 1,-0.2 -2,-0.4 2,-0.1 -1,-0.0 -0.730 65.0 110.9 -77.7 122.7 21.2 3.6 15.1 7 7 A W S > S+ 0 0 116 -2,-0.5 4,-2.3 -4,-0.1 5,-0.2 0.268 71.6 47.0-154.8 -60.3 21.5 7.2 14.0 8 8 A R H > S+ 0 0 214 -3,-0.4 4,-1.9 1,-0.2 5,-0.1 0.861 115.9 48.5 -65.7 -37.2 22.1 9.6 16.9 9 9 A R H > S+ 0 0 197 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.788 110.7 51.9 -71.5 -29.1 24.7 7.3 18.3 10 10 A K H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.854 110.3 47.5 -73.6 -37.0 26.3 7.1 14.9 11 11 A L H X S+ 0 0 84 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.838 112.1 50.8 -70.9 -34.5 26.4 10.9 14.7 12 12 A K H X S+ 0 0 160 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.897 111.3 47.7 -66.8 -42.0 27.9 10.9 18.2 13 13 A K H X S+ 0 0 148 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.892 112.0 50.4 -65.6 -41.1 30.5 8.4 17.1 14 14 A L H X S+ 0 0 115 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.949 112.0 47.2 -60.8 -51.2 31.2 10.4 14.0 15 15 A R H X S+ 0 0 200 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.948 113.5 47.5 -53.2 -54.8 31.6 13.6 16.1 16 16 A N H X S+ 0 0 112 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.907 114.2 47.1 -55.0 -46.5 33.8 11.9 18.6 17 17 A A H X S+ 0 0 35 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.875 111.5 51.0 -65.6 -39.0 36.0 10.4 15.9 18 18 A L H X S+ 0 0 117 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.892 111.1 47.8 -65.8 -41.0 36.2 13.7 14.1 19 19 A K H X S+ 0 0 150 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.857 110.8 52.2 -68.3 -36.3 37.3 15.4 17.2 20 20 A K H X S+ 0 0 107 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.905 113.4 43.5 -63.6 -43.1 39.8 12.7 17.8 21 21 A K H < S+ 0 0 172 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.850 115.1 49.6 -71.2 -35.6 41.2 13.1 14.3 22 22 A L H < S+ 0 0 150 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.904 120.5 34.3 -70.7 -43.1 41.1 16.9 14.6 23 23 A K H < S- 0 0 159 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.970 111.1-112.5 -77.2 -58.1 42.9 17.0 17.9 24 24 A G < - 0 0 55 -4,-2.4 -4,-0.1 -5,-0.3 -1,-0.1 -0.392 57.6 -56.6 158.4 -73.0 45.3 14.1 17.6 25 25 A E 0 0 142 1,-0.3 -1,-0.1 -6,-0.1 -2,-0.1 0.162 360.0 360.0-162.6 -61.3 44.5 11.2 20.0 26 26 A K 0 0 227 -3,-0.1 -1,-0.3 -6,-0.0 0, 0.0 -0.420 360.0 360.0 -65.2 360.0 44.4 12.0 23.6