==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-MAY-11 2LDF . COMPND 2 MOLECULE: SARAFOTOXIN-M; . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.CORDIER,A.ZORBA,M.HAJJ,F.DUCANCEL,D.SERVENT,M.DELEPIERRE . 24 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 10 41.7 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 4.2 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 . 8 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 4.2 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 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 a 0 0 84 0, 0.0 2,-0.4 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 154.9 -0.4 -1.5 -5.9 2 2 A S + 0 0 96 9,-0.1 2,-0.4 12,-0.0 12,-0.0 -0.954 360.0 155.0-137.1 114.7 0.3 2.2 -6.1 3 3 A b + 0 0 56 -2,-0.4 4,-0.0 1,-0.1 5,-0.0 -1.000 20.7 116.9-141.5 138.9 3.0 3.9 -4.1 4 4 A N S S+ 0 0 144 -2,-0.4 -1,-0.1 3,-0.0 4,-0.1 0.183 85.7 45.8-161.1 -43.6 5.0 7.1 -4.5 5 5 A D S S+ 0 0 160 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.568 112.0 65.0 -84.3 -11.4 4.1 9.4 -1.6 6 6 A I S S- 0 0 66 1,-0.1 -3,-0.0 2,-0.0 2,-0.0 -0.708 91.2 -93.5-115.4 165.6 4.5 6.5 0.7 7 7 A N > - 0 0 81 -2,-0.2 4,-2.6 1,-0.1 -1,-0.1 -0.243 29.9-114.1 -81.6 164.1 7.4 4.4 1.8 8 8 A D H > S+ 0 0 101 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.868 111.9 56.1 -65.3 -41.1 8.6 1.0 0.3 9 9 A K H > S+ 0 0 129 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 115.3 38.3 -60.2 -44.2 7.8 -1.1 3.4 10 10 A E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.897 115.7 55.5 -71.6 -39.9 4.2 0.1 3.4 11 11 A b H X S+ 0 0 16 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.950 111.7 40.6 -55.9 -55.0 4.1 -0.1 -0.4 12 12 A M H X S+ 0 0 106 -4,-3.5 4,-1.9 1,-0.2 5,-0.4 0.857 109.2 64.3 -66.0 -33.9 5.2 -3.7 -0.6 13 13 A Y H X S+ 0 0 140 -4,-1.6 4,-0.7 -5,-0.3 -1,-0.2 0.944 115.3 27.1 -53.5 -55.5 3.0 -4.6 2.4 14 14 A F H X>S+ 0 0 26 -4,-2.0 4,-1.9 2,-0.2 5,-1.5 0.490 110.6 74.2 -91.5 -3.0 -0.2 -3.7 0.7 15 15 A a H <5S+ 0 0 49 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.954 107.3 31.9 -72.2 -50.3 1.2 -4.5 -2.8 16 16 A H H <5S+ 0 0 153 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.727 119.8 57.0 -76.0 -22.1 1.1 -8.3 -2.3 17 17 A Q H <5S- 0 0 106 -4,-0.7 -2,-0.2 -5,-0.4 -1,-0.2 0.868 102.9-143.6 -67.1 -39.3 -1.9 -7.6 -0.1 18 18 A D T <5 - 0 0 97 -4,-1.9 2,-1.2 1,-0.2 -3,-0.2 0.993 15.9-165.2 65.5 70.7 -3.5 -5.9 -3.1 19 19 A V < - 0 0 42 -5,-1.5 -1,-0.2 1,-0.1 -5,-0.1 -0.767 9.4-177.2 -86.3 97.0 -5.4 -3.0 -1.5 20 20 A I + 0 0 123 -2,-1.2 -1,-0.1 -19,-0.1 2,-0.1 0.178 53.6 98.6 -79.6 18.0 -7.7 -1.9 -4.3 21 21 A W - 0 0 182 1,-0.1 -2,-0.1 3,-0.0 -3,-0.0 -0.246 47.8-175.3 -98.0-173.2 -9.0 0.8 -2.0 22 22 A D S S+ 0 0 148 1,-0.5 -1,-0.1 -2,-0.1 -3,-0.0 0.352 78.5 37.6-150.2 -51.5 -8.1 4.5 -1.7 23 23 A E 0 0 161 0, 0.0 -1,-0.5 0, 0.0 0, 0.0 -0.973 360.0 360.0-110.4 126.3 -10.1 5.8 1.3 24 24 A P 0 0 191 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.692 360.0 360.0 -88.1 360.0 -10.3 3.4 4.3