==== 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 2LDE . COMPND 2 MOLECULE: SARAFOTOXIN-I3; . SOURCE 2 SYNTHETIC: YES . AUTHOR F.CORDIER,A.ZORBA,M.HAJJ,F.DUCANCEL,D.SERVENT,M.DELEPIERRE . 25 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 32.0 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 . 1 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 28.0 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+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 1 0 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 a 0 0 110 0, 0.0 2,-0.5 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 113.4 4.0 6.5 -4.2 2 2 A S + 0 0 99 9,-0.0 2,-0.5 3,-0.0 3,-0.2 -0.941 360.0 165.3-126.8 110.5 7.7 5.8 -4.7 3 3 A b + 0 0 49 -2,-0.5 8,-0.1 1,-0.1 9,-0.0 -0.836 36.9 110.2-124.7 93.3 9.3 2.6 -3.4 4 4 A T S S+ 0 0 134 -2,-0.5 -1,-0.1 7,-0.0 4,-0.0 0.483 82.9 49.2-132.2 -26.8 12.7 1.9 -4.9 5 5 A D S S+ 0 0 144 -3,-0.2 2,-0.3 2,-0.1 -2,-0.1 -0.013 115.1 70.4 -92.3 25.1 14.9 2.6 -1.9 6 6 A M S S- 0 0 61 1,-0.0 -3,-0.1 3,-0.0 0, 0.0 -0.968 83.0-115.7-148.5 148.9 12.3 0.3 -0.3 7 7 A S > - 0 0 68 -2,-0.3 4,-1.2 1,-0.1 5,-0.1 -0.032 34.7-102.2 -79.6-173.1 11.4 -3.4 -0.5 8 8 A D H > S+ 0 0 120 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.927 119.3 44.6 -78.5 -47.3 8.2 -5.0 -1.7 9 9 A L H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.933 114.9 48.7 -63.8 -46.3 6.6 -5.7 1.7 10 10 A E H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.863 111.3 51.3 -63.6 -36.1 7.6 -2.2 3.0 11 11 A b H X S+ 0 0 16 -4,-1.2 4,-2.5 1,-0.2 5,-0.4 0.945 108.6 49.9 -65.2 -47.4 6.1 -0.6 -0.1 12 12 A M H X S+ 0 0 93 -4,-2.6 4,-1.5 3,-0.2 -2,-0.2 0.841 108.8 57.6 -60.7 -32.2 2.9 -2.5 0.3 13 13 A N H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.993 117.5 25.7 -60.5 -65.2 2.8 -1.3 3.9 14 14 A F H < S+ 0 0 85 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.784 129.2 43.8 -75.5 -26.8 2.9 2.4 3.4 15 15 A a H < S+ 0 0 41 -4,-2.5 -1,-0.2 -5,-0.3 3,-0.2 0.691 118.6 40.2 -95.3 -20.8 1.4 2.5 -0.1 16 16 A H S >< S+ 0 0 96 -4,-1.5 3,-0.7 -5,-0.4 -1,-0.2 0.093 84.3 97.4-116.4 22.7 -1.5 0.0 0.5 17 17 A K T 3 S+ 0 0 137 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.278 88.0 47.2 -92.4 11.5 -2.5 1.1 4.0 18 18 A D T 3 S+ 0 0 118 -3,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.116 76.9 137.8-135.4 17.5 -5.2 3.2 2.4 19 19 A V < - 0 0 38 -3,-0.7 3,-0.4 1,-0.1 -3,-0.1 -0.460 39.3-159.0 -68.2 137.9 -6.7 0.7 0.0 20 20 A I S > S+ 0 0 152 1,-0.2 4,-0.7 -2,-0.2 3,-0.4 0.645 77.3 80.6 -94.9 -15.3 -10.5 0.8 0.0 21 21 A W T 4 + 0 0 142 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.202 59.8 103.1 -82.4 21.9 -11.1 -2.7 -1.4 22 22 A V T 4 S+ 0 0 108 -3,-0.4 -1,-0.2 1,-0.1 3,-0.1 0.184 98.7 17.4 -89.6 18.5 -10.5 -4.2 2.0 23 23 A N T 4 S+ 0 0 158 -3,-0.4 2,-0.4 1,-0.4 -2,-0.2 0.335 130.8 32.3-148.4 -56.0 -14.2 -4.7 2.4 24 24 A R < 0 0 207 -4,-0.7 -1,-0.4 1,-0.1 -4,-0.0 -0.952 360.0 360.0-115.9 133.8 -15.9 -4.4 -1.0 25 25 A N 0 0 194 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.1 -0.036 360.0 360.0-154.9 360.0 -14.4 -5.4 -4.3