==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 05-JUL-99 1QUZ . COMPND 2 MOLECULE: HSTX1 TOXIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.SAVARIN,R.ROMI-LEBRUN,S.ZINN-JUSTIN,B.LEBRUN,T.NAKAJIMA, . 34 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 61.8 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 . 4 11.8 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 . 1 2.9 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 . 1 2.9 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 . 6 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.9 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 1 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 . 1 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 68 0, 0.0 28,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 151.2 -0.5 -1.3 1.7 2 2 A S - 0 0 68 26,-0.2 2,-0.2 22,-0.1 26,-0.2 -0.644 360.0-165.6-106.2 160.7 -2.2 1.2 4.2 3 3 A a - 0 0 3 -2,-0.2 20,-0.0 1,-0.1 26,-0.0 -0.769 24.7-151.0-137.1 176.1 -5.5 3.2 3.9 4 4 A R S S+ 0 0 164 1,-0.9 -1,-0.1 -2,-0.2 23,-0.1 0.629 94.8 1.8-116.1 -51.7 -7.4 6.1 5.5 5 5 A T S > S- 0 0 85 22,-0.0 3,-1.8 18,-0.0 -1,-0.9 -0.888 92.3 -99.9-128.0 157.3 -11.0 5.0 4.8 6 6 A P G > S+ 0 0 62 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.644 117.2 70.2 -65.0 -10.9 -11.6 1.6 3.0 7 7 A K G > S+ 0 0 153 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.668 85.0 69.3 -76.7 -14.6 -12.2 3.4 -0.5 8 8 A D G < S+ 0 0 64 -3,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.634 92.9 58.8 -75.6 -10.5 -8.4 4.2 -0.5 9 9 A b G <> S+ 0 0 0 -3,-1.0 4,-3.0 -4,-0.2 5,-0.3 0.594 83.8 83.8 -89.3 -12.1 -7.9 0.4 -1.0 10 10 A A H <> S+ 0 0 8 -3,-0.8 4,-0.8 -4,-0.2 -2,-0.2 0.785 92.9 45.6 -60.4 -29.0 -10.0 0.7 -4.3 11 11 A D H > S+ 0 0 97 -4,-0.3 4,-0.8 -3,-0.3 -1,-0.2 0.953 120.2 35.2 -82.2 -57.1 -6.9 1.8 -6.2 12 12 A P H > S+ 0 0 40 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.854 120.8 51.0 -64.0 -31.9 -4.2 -0.9 -4.8 13 13 A c H X>S+ 0 0 0 -4,-3.0 5,-3.0 2,-0.2 4,-1.8 0.860 110.1 48.8 -75.6 -32.5 -7.1 -3.6 -4.7 14 14 A R H <5S+ 0 0 157 -4,-0.8 -1,-0.2 -5,-0.3 -3,-0.1 0.684 117.6 43.5 -75.7 -16.0 -8.1 -2.8 -8.4 15 15 A K H <5S+ 0 0 185 -4,-0.8 -2,-0.2 4,-0.1 -1,-0.2 0.851 123.1 32.5 -92.5 -42.4 -4.4 -3.1 -9.2 16 16 A E H <5S+ 0 0 122 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.846 141.9 9.5 -88.7 -38.5 -3.4 -6.3 -7.2 17 17 A T T <5S- 0 0 77 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.786 97.8-124.5-103.5 -51.3 -6.7 -8.4 -7.3 18 18 A G S