==== 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 1DEN . 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) . 4601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 55.0 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 . 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 . 8 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 172 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.0 -18.8 -8.0 -0.6 2 2 A P - 0 0 106 0, 0.0 2,-0.1 0, 0.0 56,-0.1 -0.216 360.0-108.3 -73.7 165.4 -15.1 -8.1 0.7 3 3 A L - 0 0 54 1,-0.2 54,-0.2 54,-0.1 53,-0.1 -0.288 44.2 -78.6 -85.2 172.1 -12.1 -6.3 -1.0 4 4 A R > - 0 0 101 52,-1.0 3,-1.1 1,-0.1 -1,-0.2 -0.211 37.5-112.2 -69.7 164.4 -9.2 -8.0 -3.0 5 5 A K G >> S+ 0 0 139 1,-0.2 3,-2.2 2,-0.2 4,-0.7 0.830 112.5 70.7 -65.7 -34.3 -6.3 -9.7 -1.3 6 6 A L G 34 S+ 0 0 72 1,-0.3 39,-0.7 2,-0.2 -1,-0.2 0.648 96.2 54.3 -56.3 -20.6 -3.9 -7.0 -2.5 7 7 A a G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 49,-0.2 -2,-0.2 0.271 115.0 36.7-102.2 9.9 -5.6 -4.6 -0.0 8 8 A I T <4 S+ 0 0 78 -3,-2.2 -2,-0.2 2,-0.1 -1,-0.1 0.276 80.7 97.6-142.3 5.8 -5.0 -6.8 3.1 9 9 A L S < S- 0 0 74 -4,-0.7 -3,-0.1 1,-0.1 -2,-0.1 0.510 96.4-112.6 -74.9 -1.3 -1.5 -8.5 2.5 10 10 A H - 0 0 101 15,-0.1 2,-1.3 1,-0.1 34,-0.4 0.608 31.7 -83.6 73.2 132.8 -0.2 -5.6 4.8 11 11 A R + 0 0 88 14,-0.1 -1,-0.1 32,-0.1 34,-0.1 -0.500 54.8 174.7 -69.7 91.1 2.1 -2.9 3.5 12 12 A N - 0 0 68 -2,-1.3 31,-1.4 1,-0.2 29,-0.1 -0.926 9.2-177.1 -99.1 106.9 5.5 -4.6 3.7 13 13 A P - 0 0 47 0, 0.0 26,-0.4 0, 0.0 28,-0.3 0.923 38.4-126.6 -70.7 -45.8 8.0 -2.2 2.0 14 14 A G - 0 0 27 24,-0.2 2,-1.1 23,-0.1 3,-0.4 -0.446 22.4 -71.1 116.3 169.2 11.0 -4.5 2.4 15 15 A R S S+ 0 0 248 25,-0.2 27,-0.0 1,-0.2 -1,-0.0 -0.736 99.6 87.4 -91.5 81.4 14.5 -4.5 3.8 16 16 A b S S- 0 0 45 -2,-1.1 -1,-0.2 25,-0.0 21,-0.0 0.431 90.0-103.1-157.6 -3.5 16.3 -2.2 1.2 17 17 A Y - 0 0 220 -3,-0.4 21,-0.1 22,-0.0 -2,-0.1 0.915 62.8 -40.9 68.6 111.5 15.9 1.6 2.3 18 18 A Q S S+ 0 0 123 18,-0.1 20,-0.3 1,-0.1 21,-0.1 0.720 70.1 131.3 11.6 122.0 13.4 4.1 0.6 19 19 A K + 0 0 148 18,-2.5 19,-0.2 0, 0.0 20,-0.1 0.459 68.8 36.7-160.1 -20.1 12.9 4.1 -3.2 20 20 A I E -A 37 0A 52 17,-1.2 17,-0.6 18,-0.0 2,-0.1 -0.492 67.3-171.2-141.3 68.8 9.2 4.1 -4.3 21 21 A P E +A 36 0A 82 0, 0.0 15,-0.2 0, 0.0 2,-0.2 -0.437 31.2 123.1 -67.3 134.1 7.1 6.2 -1.8 22 22 A A E -A 35 0A 13 13,-2.6 13,-2.0 -2,-0.1 2,-0.3 -0.440 53.6 -69.9-153.8-136.4 3.4 5.9 -2.5 23 23 A F E -AB 34 47A 62 24,-1.6 24,-2.1 11,-0.3 2,-0.3 -0.916 25.0-163.2-138.8 166.7 0.3 4.8 -0.4 24 24 A Y E -A 33 0A 12 9,-3.0 9,-2.3 -2,-0.3 2,-0.6 -0.968 39.3 -94.1-144.5 153.5 -1.5 1.8 1.3 25 25 A Y E -A 32 0A 17 -2,-0.3 2,-0.7 7,-0.3 7,-0.3 -0.602 35.2-148.5 -79.0 112.1 -5.1 1.2 2.5 26 26 A N E >> -A 31 0A 27 5,-2.3 4,-2.6 -2,-0.6 2,-1.1 -0.746 0.8-153.5 -84.8 111.8 -5.2 2.0 6.3 27 27 A Q T 45S+ 0 0 111 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 -0.221 92.6 45.6 -81.3 43.8 -7.8 -0.3 7.8 28 28 A K T 45S+ 0 0 194 -2,-1.1 -1,-0.2 3,-0.2 -3,-0.0 0.335 118.2 37.9-144.3 -45.9 -8.5 2.2 10.7 29 29 A K T 45S- 0 0 111 -3,-0.3 -2,-0.2 2,-0.2 3,-0.1 0.757 97.6-138.5 -78.8 -42.3 -8.7 5.5 8.7 30 30 A K T <5S+ 0 0 144 -4,-2.6 2,-0.2 1,-0.3 -3,-0.1 0.972 70.7 75.6 69.0 62.8 -10.5 3.8 5.9 31 31 A Q E S- 0 0 69 1,-0.1 4,-1.5 -26,-0.1 -1,-0.1 -0.868 76.5-129.3-113.9 148.0 -3.1 7.7 -6.0 50 50 A I H > S+ 0 0 49 -2,-0.3 4,-2.3 2,-0.2 -18,-0.3 0.740 108.9 50.8 -65.0 -27.8 -5.7 7.5 -3.2 51 51 A E H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.958 109.4 49.5 -73.5 -53.2 -8.7 7.0 -5.6 52 52 A E H > S+ 0 0 66 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.768 112.4 50.3 -51.5 -38.7 -6.9 4.2 -7.5 53 53 A c H >X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 3,-1.2 0.973 110.9 47.4 -67.1 -57.1 -6.2 2.6 -4.1 54 54 A R H 3X>S+ 0 0 93 -4,-2.3 4,-2.0 1,-0.2 5,-0.8 0.738 97.3 71.6 -59.9 -27.4 -9.9 2.9 -3.0 55 55 A R H 3<5S+ 0 0 127 -4,-2.1 -1,-0.2 3,-0.2 5,-0.2 0.863 119.5 18.3 -53.0 -38.3 -11.1 1.4 -6.4 56 56 A T H <<5S+ 0 0 38 -3,-1.2 -52,-1.0 -4,-0.6 -2,-0.2 0.752 130.8 47.4-100.0 -43.3 -9.8 -2.0 -5.2 57 57 A a H <5S+ 0 0 0 -4,-2.7 -3,-0.2 -54,-0.2 -2,-0.2 0.450 125.3 30.1 -86.5 -8.1 -9.5 -1.4 -1.4 58 58 A I T <5S- 0 0 72 -4,-2.0 -3,-0.2 -5,-0.3 -1,-0.1 0.500 112.4-123.0-120.6 -19.3 -13.0 0.2 -1.0 59 59 A R < 0 0 102 -5,-0.8 -3,-0.2 1,-0.0 -2,-0.1 0.385 360.0 360.0 81.7 147.5 -14.7 -1.8 -3.9 60 60 A K 0 0 202 -5,-0.2 -5,-0.1 -4,-0.1 -4,-0.0 -0.697 360.0 360.0 -79.7 360.0 -16.5 -0.4 -7.0