==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VENOM(POTASSIUM CHANNEL INHIBITOR) 07-MAR-94 1DEM . COMPND 2 MOLECULE: DENDROTOXIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS POLYLEPIS POLYLEPIS; . AUTHOR J.-M.LANCELIN,M.-F.FORAY . 60 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 56.7 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 . 10 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 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 . 7 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.3 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 . 1 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 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 Q 0 0 178 0, 0.0 3,-0.1 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 86.7 -11.7 -8.1 -7.4 2 2 A P + 0 0 73 0, 0.0 55,-0.2 0, 0.0 54,-0.1 -0.200 360.0 25.3 -57.9 148.5 -12.5 -5.2 -4.9 3 3 A L S S- 0 0 108 53,-2.3 2,-0.2 1,-0.1 54,-0.2 0.986 84.4-179.8 55.2 68.6 -11.4 -5.6 -1.2 4 4 A R > - 0 0 95 52,-0.8 3,-1.6 1,-0.1 4,-0.2 -0.643 40.6-119.4 -94.7 152.3 -8.6 -8.1 -1.8 5 5 A K G > S+ 0 0 170 1,-0.3 3,-1.0 -2,-0.2 4,-0.5 0.598 106.9 77.5 -67.9 -11.5 -6.4 -9.6 0.9 6 6 A L G 3 S+ 0 0 73 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.723 91.7 53.7 -68.4 -22.8 -3.3 -8.0 -0.8 7 7 A a G < S+ 0 0 1 -3,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.501 99.7 63.5 -86.5 -9.4 -4.5 -4.6 0.8 8 8 A I S < S+ 0 0 86 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.591 82.5 76.2 -92.3 -13.5 -4.5 -6.3 4.3 9 9 A L S S- 0 0 77 -4,-0.5 -1,-0.2 -3,-0.3 34,-0.1 0.408 93.0-140.5 -79.6 3.0 -0.7 -7.0 4.4 10 10 A H - 0 0 63 -3,-0.4 34,-0.3 15,-0.2 -1,-0.2 0.037 53.3 -19.6 59.5-176.1 0.0 -3.3 5.2 11 11 A R - 0 0 129 1,-0.1 34,-0.2 13,-0.1 35,-0.1 -0.312 58.1-167.1 -59.8 140.3 3.0 -1.5 3.5 12 12 A N + 0 0 21 32,-0.9 29,-0.2 1,-0.1 26,-0.1 -0.621 27.5 148.0-131.7 71.8 5.7 -3.9 2.2 13 13 A P - 0 0 37 0, 0.0 25,-1.0 0, 0.0 26,-0.9 0.939 37.1-160.1 -69.1 -52.4 8.9 -1.8 1.4 14 14 A G - 0 0 28 24,-0.2 2,-1.1 23,-0.1 4,-0.2 -0.100 34.8 -64.5 87.0 172.1 11.5 -4.5 2.2 15 15 A R S S+ 0 0 253 25,-0.2 -1,-0.1 1,-0.1 27,-0.1 -0.750 89.1 114.6 -91.0 85.6 15.3 -4.1 3.0 16 16 A b S S- 0 0 13 -2,-1.1 -1,-0.1 25,-0.1 25,-0.1 -0.164 88.7 -76.9-157.2 55.7 16.6 -2.7 -0.3 17 17 A Y - 0 0 223 22,-0.1 22,-0.1 23,-0.1 21,-0.1 0.255 68.0 -90.8 74.5 -2.6 18.0 0.9 -0.1 18 18 A Q + 0 0 113 -4,-0.2 20,-0.3 18,-0.1 21,-0.1 0.848 69.0 138.7 69.4 110.6 14.8 3.3 0.0 19 19 A K + 0 0 151 18,-2.4 19,-0.2 1,-0.0 20,-0.1 0.599 47.7 53.0-160.1 -16.1 13.5 4.4 -3.4 20 20 A I E -A 37 0A 70 17,-1.0 17,-0.8 -7,-0.0 18,-0.1 -0.582 60.7-162.4-133.3 74.3 9.7 4.6 -4.4 21 21 A P E +A 36 0A 93 0, 0.0 15,-0.2 0, 0.0 2,-0.2 -0.333 34.2 128.6 -61.1 132.7 7.7 6.6 -1.9 22 22 A A E -A 35 0A 10 13,-2.1 13,-2.2 11,-0.0 2,-0.3 -0.446 50.1 -78.1-150.0-141.8 4.0 5.9 -2.2 23 23 A F E -AB 34 47A 59 24,-1.5 24,-2.6 11,-0.3 2,-0.3 -0.943 24.1-164.7-140.8 162.9 1.0 4.9 0.1 24 24 A Y E -A 33 0A 24 9,-2.9 9,-2.2 -2,-0.3 2,-0.6 -0.968 40.1 -91.5-142.6 155.4 -0.5 1.8 1.8 25 25 A Y E -A 32 0A 47 -2,-0.3 2,-0.9 7,-0.3 7,-0.3 -0.571 36.5-145.9 -78.2 114.1 -4.0 1.1 3.4 26 26 A N E > > -A 31 0A 26 5,-2.4 2,-1.3 -2,-0.6 3,-1.1 -0.732 7.4-162.9 -83.0 102.8 -3.7 2.1 7.1 27 27 A Q T 3 5S+ 0 0 72 -2,-0.9 -1,-0.1 1,-0.2 3,-0.1 -0.286 87.7 61.5 -85.7 50.2 -6.0 -0.5 8.9 28 28 A K T 3 5S+ 0 0 192 -2,-1.3 -1,-0.2 3,-0.2 -2,-0.0 0.350 117.4 25.3-134.0 -37.9 -6.1 1.8 12.0 29 29 A K T < 5S- 0 0 100 -3,-1.1 3,-0.1 2,-0.2 -4,-0.0 0.498 96.6-109.9 -95.1-127.2 -7.7 4.7 10.0 30 30 A K T 5S+ 0 0 162 1,-0.1 2,-0.3 -3,-0.1 -3,-0.1 0.088 83.9 54.3-171.6 22.8 -9.8 3.9 6.9 31 31 A Q E S- 0 0 66 1,-0.1 4,-1.1 -26,-0.1 -26,-0.1 -0.878 76.2-132.7-113.2 145.7 -2.5 7.6 -5.4 50 50 A I H > S+ 0 0 55 -2,-0.3 4,-2.4 2,-0.2 -18,-0.3 0.770 108.2 50.7 -65.3 -30.6 -4.9 7.5 -2.3 51 51 A E H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.962 108.1 51.6 -70.9 -53.2 -8.0 7.2 -4.6 52 52 A E H > S+ 0 0 73 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.716 111.1 50.3 -51.0 -33.7 -6.5 4.3 -6.5 53 53 A c H >X S+ 0 0 1 -4,-1.1 4,-2.7 2,-0.2 3,-1.2 0.969 112.4 44.1 -72.4 -58.4 -5.8 2.7 -3.1 54 54 A R H 3X>S+ 0 0 107 -4,-2.4 4,-1.2 1,-0.2 5,-0.6 0.713 104.0 67.4 -61.2 -23.1 -9.4 3.1 -1.9 55 55 A R H 3<>S+ 0 0 119 -4,-2.2 5,-0.5 3,-0.2 -1,-0.2 0.836 119.6 18.8 -63.3 -36.2 -10.7 1.9 -5.3 56 56 A T H <<5S+ 0 0 42 -3,-1.2 -53,-2.3 -4,-0.6 -52,-0.8 0.659 135.8 38.1-106.7 -32.3 -9.3 -1.6 -4.7 57 57 A a H <5S+ 0 0 5 -4,-2.7 -3,-0.2 -54,-0.2 -2,-0.1 0.696 133.3 22.8 -96.3 -27.0 -8.9 -1.7 -0.9 58 58 A I T <5S- 0 0 57 -4,-1.2 -3,-0.2 -5,-0.4 -4,-0.1 0.441 117.5-103.0-118.2 -8.1 -12.0 0.3 0.1 59 59 A R T < 0 0 162 -5,-0.6 -3,-0.2 -6,-0.3 -2,-0.1 0.267 360.0 360.0 91.0 149.0 -14.1 -0.3 -3.0 60 60 A K < 0 0 189 -5,-0.5 -4,-0.1 -4,-0.1 -5,-0.1 0.955 360.0 360.0 -79.7 360.0 -15.0 1.9 -6.0