==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 14-JUL-05 2AAP . COMPND 2 MOLECULE: JINGZHAOTOXIN-VII; . SOURCE 2 ORGANISM_SCIENTIFIC: CHILOBRACHYS JINGZHAO; . AUTHOR Z.LIAO,S.P.LIANG . 34 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 47.1 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 . 8 23.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 2 5.9 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+3), SAME NUMBER PER 100 RESIDUES . 1 2.9 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 0 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 118 0, 0.0 2,-0.6 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0-112.8 -4.9 11.0 1.4 2 2 A a + 0 0 95 2,-0.0 2,-0.4 16,-0.0 14,-0.1 -0.922 360.0 156.5-119.3 110.8 -2.5 9.4 4.0 3 3 A G + 0 0 17 -2,-0.6 14,-1.5 12,-0.2 2,-0.3 -0.995 6.5 161.5-134.7 135.2 -2.9 5.6 4.5 4 4 A G + 0 0 24 -2,-0.4 26,-0.2 1,-0.2 4,-0.1 -0.987 49.1 31.2-149.1 158.7 -0.2 3.1 5.9 5 5 A L S S- 0 0 110 -2,-0.3 25,-0.3 1,-0.2 -1,-0.2 0.978 137.5 -21.3 56.8 83.8 -0.0 -0.4 7.4 6 6 A M S S+ 0 0 124 23,-0.8 2,-0.2 1,-0.2 24,-0.2 0.857 98.3 164.8 56.3 34.9 -3.0 -2.3 5.8 7 7 A A E -A 29 0A 17 22,-1.8 22,-2.3 1,-0.1 2,-0.3 -0.581 48.6 -96.6 -83.0 145.2 -4.6 1.1 5.1 8 8 A G E +A 28 0A 80 20,-0.2 20,-0.2 -2,-0.2 -1,-0.1 -0.421 56.0 157.0 -62.3 121.0 -7.5 1.1 2.6 9 9 A b - 0 0 14 18,-2.4 19,-0.2 -2,-0.3 -1,-0.2 0.779 17.1-174.4-110.6 -61.0 -6.0 2.1 -0.8 10 10 A D + 0 0 130 17,-1.1 2,-0.1 13,-0.2 18,-0.1 0.992 56.5 68.5 59.4 77.9 -8.3 0.8 -3.6 11 11 A G S > S- 0 0 19 12,-0.2 3,-1.3 3,-0.1 11,-0.1 -0.235 74.7-130.2 146.8 121.9 -6.3 1.6 -6.8 12 12 A K T 3 S+ 0 0 166 1,-0.3 10,-0.1 -2,-0.1 -1,-0.1 0.684 114.6 43.8 -66.1 -13.5 -3.0 0.3 -8.2 13 13 A S T 3 S+ 0 0 97 2,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.380 83.9 122.1-110.8 2.9 -1.9 3.9 -8.6 14 14 A T < - 0 0 53 -3,-1.3 8,-0.5 1,-0.1 2,-0.4 -0.418 56.5-137.4 -66.8 138.2 -3.1 5.2 -5.1 15 15 A F - 0 0 149 -2,-0.1 -12,-0.2 6,-0.1 6,-0.1 -0.799 11.0-145.4-100.1 138.9 -0.3 6.7 -3.0 16 16 A c - 0 0 3 -2,-0.4 -12,-0.2 4,-0.3 3,-0.1 0.131 36.8 -85.4 -80.9-157.2 0.0 5.9 0.7 17 17 A a S S- 0 0 46 -14,-1.5 2,-0.3 1,-0.2 -13,-0.1 0.974 88.5 -41.0 -78.9 -70.7 1.3 8.4 3.4 18 18 A S S S+ 0 0 85 -15,-0.1 -1,-0.2 -3,-0.0 3,-0.1 -0.856 123.3 7.8-163.7 123.1 5.1 8.0 3.3 19 19 A G S S+ 0 0 63 1,-0.3 13,-1.9 -2,-0.3 2,-0.2 0.426 104.2 106.1 85.0 -4.0 7.3 4.8 3.0 20 20 A Y E -B 31 0A 75 11,-0.2 -4,-0.3 -17,-0.1 2,-0.3 -0.577 54.3-155.1-103.2 169.9 4.2 2.7 2.3 21 21 A N E -B 30 0A 100 9,-3.1 9,-2.2 -2,-0.2 2,-0.3 -0.971 18.2-123.0-148.2 129.7 3.0 1.2 -0.9 22 22 A b E -B 29 0A 9 -8,-0.5 7,-0.3 -2,-0.3 -14,-0.1 -0.528 25.8-139.0 -73.0 132.7 -0.5 0.2 -2.1 23 23 A S E >> -B 28 0A 14 5,-3.0 4,-2.2 -2,-0.3 5,-0.5 -0.809 5.1-153.7 -95.7 128.8 -0.8 -3.5 -3.1 24 24 A P T 45S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -12,-0.1 0.726 97.4 49.8 -71.3 -21.7 -2.9 -4.3 -6.2 25 25 A T T 45S+ 0 0 119 1,-0.1 -2,-0.0 3,-0.1 -13,-0.0 0.782 124.4 27.1 -87.7 -28.3 -3.6 -7.8 -4.8 26 26 A W T 45S- 0 0 146 2,-0.2 -17,-0.1 0, 0.0 -1,-0.1 0.572 93.8-137.2-108.4 -12.7 -4.7 -6.7 -1.3 27 27 A K T <5 + 0 0 100 -4,-2.2 -18,-2.4 1,-0.2 -17,-1.1 0.798 68.2 101.6 61.9 29.6 -6.0 -3.2 -2.2 28 28 A W E