==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 06-SEP-94 1SRB . COMPND 2 MOLECULE: SARAFOTOXINS PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ATRACTASPIS MICROLEPIDOTA ANDERSONI; . AUTHOR R.SMITH,A.R.ATKINS . 21 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 42.9 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 . 3 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 19.0 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 1 0 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 0 102 0, 0.0 2,-0.4 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 177.8 5.6 1.9 3.8 2 2 A S - 0 0 97 9,-0.1 2,-0.5 2,-0.0 13,-0.0 -0.992 360.0-174.7-128.1 126.2 5.4 -1.6 5.1 3 3 A b + 0 0 58 -2,-0.4 2,-0.7 3,-0.1 3,-0.3 -0.773 19.4 164.4-120.6 80.9 4.5 -4.7 3.1 4 4 A K S S- 0 0 188 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.838 76.0 -0.9-111.0 97.2 4.3 -7.5 5.6 5 5 A D S S+ 0 0 165 -2,-0.7 -1,-0.2 1,-0.4 2,-0.2 0.493 124.0 85.2 100.8 21.6 2.4 -10.6 4.3 6 6 A M S S- 0 0 94 -3,-0.3 -1,-0.4 1,-0.2 -3,-0.1 -0.614 73.8-118.4-130.6-170.9 1.8 -8.8 1.0 7 7 A T - 0 0 73 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 -0.007 33.3-103.7-110.7-145.4 3.6 -8.1 -2.3 8 8 A D S > S+ 0 0 122 3,-0.1 4,-2.8 2,-0.1 5,-0.3 0.723 112.6 50.6-112.9 -60.3 4.6 -4.7 -3.8 9 9 A K H > S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 -3,-0.0 0.912 120.5 38.7 -45.2 -51.9 2.0 -4.0 -6.5 10 10 A E H >4 S+ 0 0 86 2,-0.2 3,-0.6 1,-0.2 4,-0.4 0.971 111.1 57.6 -65.5 -55.7 -0.8 -4.7 -3.9 11 11 A b H >> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 3,-1.8 0.881 106.8 50.3 -40.1 -51.4 1.0 -3.0 -1.0 12 12 A L H 3X S+ 0 0 68 -4,-2.8 4,-1.3 1,-0.3 -1,-0.3 0.904 98.0 65.5 -56.9 -44.6 1.1 0.2 -3.0 13 13 A Y H << S+ 0 0 151 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.537 114.0 34.7 -58.1 -3.9 -2.6 -0.0 -3.8 14 14 A F H <4 S+ 0 0 91 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.2 0.695 135.7 18.6-116.7 -46.0 -3.0 0.5 0.0 15 15 A a H < S+ 0 0 60 -4,-2.3 -3,-0.2 1,-0.1 -2,-0.2 0.792 130.0 43.7 -99.0 -37.0 -0.1 2.9 1.0 16 16 A H S < S+ 0 0 100 -4,-1.3 -1,-0.1 -5,-0.4 -4,-0.1 -0.195 82.1 105.2-102.7 40.1 0.8 4.4 -2.4 17 17 A Q + 0 0 109 -3,-0.2 2,-0.8 1,-0.1 -1,-0.2 -0.312 38.9 125.5-112.7 45.1 -2.8 4.9 -3.4 18 18 A D + 0 0 122 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.629 30.8 154.9-107.0 70.2 -2.6 8.7 -2.8 19 19 A V - 0 0 86 -2,-0.8 -2,-0.0 1,-0.1 -3,-0.0 -0.850 25.6-176.7-102.8 133.0 -3.8 10.0 -6.2 20 20 A I 0 0 171 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.438 360.0 360.0-126.4 54.5 -5.4 13.4 -6.5 21 21 A W 0 0 271 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.421 360.0 360.0 -95.8 360.0 -6.2 13.3 -10.2