==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-JAN-13 4IYE . COMPND 2 MOLECULE: TOXIN ADTX1; . SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS ANGUSTICEPS; . AUTHOR E.A.STURA,L.VERA,A.A.MAIGA,C.MARCHETTI,A.LORPHELIN,L.BELLANG . 66 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 53.0 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 . 25 37.9 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 . 1 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 3.0 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 . 4 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 9.1 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+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 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 0 0 0 1 1 0 0 1 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 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 0 A G 0 0 84 0, 0.0 2,-0.2 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0-163.0 -14.6 -3.9 7.9 2 1 A L - 0 0 13 20,-0.2 16,-2.8 16,-0.1 2,-0.4 -0.469 360.0-143.1 -62.8 133.6 -16.1 -1.2 9.9 3 2 A T E +A 17 0A 33 14,-0.2 60,-3.2 -2,-0.2 61,-0.4 -0.853 23.0 176.8 -99.6 130.8 -17.7 1.6 7.8 4 3 A a E -A 16 0A 0 12,-2.1 12,-2.7 -2,-0.4 2,-0.4 -0.977 35.1-111.2-131.6 151.0 -17.5 5.2 9.0 5 4 A V E +A 15 0A 0 -2,-0.3 10,-0.3 10,-0.2 21,-0.2 -0.626 29.5 179.4 -69.8 124.4 -18.5 8.6 7.6 6 5 A T E + 0 0 41 8,-2.4 35,-0.5 -2,-0.4 2,-0.3 0.521 69.3 16.2-106.3 -5.2 -15.3 10.5 6.8 7 6 A S E +A 14 0A 51 7,-1.5 7,-2.2 33,-0.1 -1,-0.3 -0.965 58.5 175.3-162.7 136.3 -17.1 13.6 5.6 8 7 A K E +A 13 0A 81 -2,-0.3 2,-0.3 31,-0.3 5,-0.2 -0.910 27.6 110.5-145.7 126.7 -20.6 15.1 5.8 9 8 A S E > S-A 12 0A 60 3,-2.2 3,-1.8 -2,-0.3 -2,-0.0 -0.910 79.1 -62.5-165.9-173.6 -21.8 18.5 4.6 10 9 A I T 3 S+ 0 0 156 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 0.679 128.7 59.0 -64.1 -17.6 -23.9 20.4 2.1 11 10 A F T 3 S- 0 0 183 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.249 119.0 -98.3 -90.8 10.5 -21.6 18.9 -0.6 12 11 A G E < -A 9 0A 35 -3,-1.8 -3,-2.2 2,-0.0 2,-0.4 -0.633 41.9 -55.2 110.6-167.8 -22.5 15.3 0.4 13 12 A I E -A 8 0A 100 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.980 32.3-162.7-130.9 119.9 -21.4 12.3 2.4 14 13 A T E -A 7 0A 75 -7,-2.2 -8,-2.4 -2,-0.4 -7,-1.5 -0.863 11.3-172.0-103.0 135.9 -18.2 10.3 2.2 15 14 A T E -A 5 0A 71 -2,-0.4 2,-0.4 -10,-0.3 -10,-0.2 -0.976 2.6-161.7-128.9 141.3 -18.0 6.9 3.7 16 15 A E E -A 4 0A 78 -12,-2.7 -12,-2.1 -2,-0.4 2,-0.9 -0.970 25.2-132.1-129.0 141.6 -15.0 4.7 4.1 17 16 A D E -A 3 0A 103 -2,-0.4 -14,-0.2 -14,-0.2 -15,-0.1 -0.820 53.6-115.9 -85.2 111.1 -14.3 1.0 4.7 18 17 A b - 0 0 12 -16,-2.8 4,-0.1 -2,-0.9 -16,-0.1 -0.200 21.8-103.4 -65.7 141.8 -11.9 1.6 7.5 19 18 A P > - 0 0 58 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.231 54.5 -85.0 -56.7 142.1 -8.2 0.6 7.4 20 19 A D T 3 S+ 0 0 176 1,-0.3 3,-0.1 3,-0.1 25,-0.1 -0.161 118.5 32.2 -54.1 145.4 -7.4 -2.6 9.3 21 20 A G T 3 S+ 0 0 56 -3,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.576 94.0 101.7 77.9 10.4 -6.8 -1.9 13.0 22 21 A Q < + 0 0 58 -3,-1.2 23,-0.3 -4,-0.1 -20,-0.2 -0.813 34.0 154.5-123.4 88.7 -9.2 1.0 13.0 23 22 A N + 0 0 102 -2,-0.4 2,-0.3 22,-0.3 22,-0.1 0.066 51.4 80.8-106.2 22.8 -12.4 -0.4 14.6 24 23 A L E -B 44 0B 21 20,-1.4 20,-2.2 -22,-0.1 2,-0.3 -0.961 59.2-155.6-130.5 143.4 -13.7 2.9 15.8 25 24 A a E -BC 43 59B 0 34,-2.5 34,-1.8 -2,-0.3 2,-0.3 -0.886 17.2-167.1-108.6 149.4 -15.5 5.9 14.2 26 25 A F E -BC 42 58B 26 16,-2.2 16,-1.8 -2,-0.3 2,-0.4 -0.966 17.1-165.1-138.0 157.1 -15.3 9.4 15.6 27 26 A K E -BC 41 57B 63 30,-1.9 30,-2.5 -2,-0.3 2,-0.4 -0.924 13.5-161.1-143.8 107.6 -17.1 12.7 15.2 28 27 A R E -BC 40 56B 64 12,-3.1 12,-2.2 -2,-0.4 2,-0.5 -0.781 4.8-153.5 -92.7 135.0 -15.4 15.9 16.5 29 28 A R E -BC 39 55B 117 26,-2.9 26,-1.5 -2,-0.4 2,-0.5 -0.937 16.8-174.0-110.8 121.1 -17.4 19.0 17.2 30 29 A H E -B 38 0B 58 8,-2.4 8,-3.2 -2,-0.5 2,-0.5 -0.954 21.4-136.3-126.9 121.7 -15.4 22.3 16.9 31 30 A Y E +B 37 0B 110 -2,-0.5 6,-0.2 21,-0.3 4,-0.0 -0.588 30.5 163.6 -77.7 116.5 -16.5 25.7 17.7 32 31 A V E - 0 0 76 4,-2.3 -1,-0.2 -2,-0.5 5,-0.2 0.801 69.6 -7.4 -94.8 -48.2 -15.3 28.1 15.1 33 32 A V E > S-B 36 0B 68 3,-1.8 3,-3.2 1,-0.1 -1,-0.4 -0.953 92.7 -72.8-151.0 169.1 -17.6 31.1 15.8 34 33 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.703 127.6 12.2 -41.7 -57.3 -20.6 31.8 18.1 35 34 A A T 3 S+ 0 0 92 -4,-0.0 2,-0.5 -3,-0.0 -4,-0.0 0.299 113.5 93.2-102.0 12.7 -23.3 29.8 16.4 36 35 A I E < +B 33 0B 102 -3,-3.2 -4,-2.3 2,-0.0 -3,-1.8 -0.921 46.9 179.5-119.6 127.0 -21.0 27.9 14.0 37 36 A Y E -B 31 0B 99 -2,-0.5 2,-0.5 -6,-0.2 -6,-0.2 -0.962 17.7-146.4-127.0 130.6 -19.5 24.5 14.6 38 37 A D E -B 30 0B 91 -8,-3.2 -8,-2.4 -2,-0.4 2,-0.4 -0.876 16.2-153.1 -98.4 126.8 -17.3 22.6 12.3 39 38 A S E -B 29 0B 39 -2,-0.5 2,-0.4 -10,-0.2 -31,-0.3 -0.853 9.6-170.4-100.7 136.0 -17.7 18.8 12.4 40 39 A T E -B 28 0B 45 -12,-2.2 -12,-3.1 -2,-0.4 2,-0.3 -0.977 7.0-175.8-127.3 139.4 -15.0 16.4 11.6 41 40 A R E +B 27 0B 36 -35,-0.5 2,-0.3 -2,-0.4 -14,-0.2 -0.905 14.0 120.0-134.7 155.1 -15.3 12.6 11.1 42 41 A G E -B 26 0B 7 -16,-1.8 -16,-2.2 -2,-0.3 2,-0.3 -0.998 51.7 -70.9 177.1-176.9 -13.3 9.5 10.5 43 42 A b E +B 25 0B 17 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.753 46.4 175.1 -93.0 148.3 -12.0 6.1 11.3 44 43 A A E -B 24 0B 16 -20,-2.2 -20,-1.4 -2,-0.3 3,-0.1 -0.989 40.5-138.6-151.3 156.1 -9.5 5.7 14.1 45 44 A A S S+ 0 0 65 -2,-0.3 2,-0.3 -23,-0.3 -22,-0.3 0.832 98.9 15.2 -74.2 -40.6 -7.6 3.0 16.0 46 45 A T S S- 0 0 110 -3,-0.1 -1,-0.2 -22,-0.1 -22,-0.1 -0.954 96.5 -89.9-134.1 157.4 -8.2 4.8 19.2 47 46 A c - 0 0 51 -2,-0.3 2,-0.1 -3,-0.1 11,-0.1 -0.439 47.2-120.9 -69.3 125.3 -10.5 7.6 20.2 48 47 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 -0.417 22.7-117.2 -67.6 147.6 -8.9 11.0 19.6 49 48 A I - 0 0 143 -2,-0.1 2,-0.1 1,-0.0 6,-0.1 -0.735 32.0-120.1 -88.7 128.8 -8.4 13.3 22.6 50 49 A P + 0 0 62 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.462 35.0 174.4 -74.8 141.6 -10.4 16.6 22.3 51 50 A E > + 0 0 141 -2,-0.1 3,-1.5 1,-0.1 4,-0.0 -0.828 54.7 45.2-133.3 169.9 -8.6 19.9 22.4 52 51 A N T 3 S- 0 0 115 1,-0.3 -21,-0.3 -2,-0.3 -1,-0.1 0.806 130.2 -63.4 64.6 33.5 -9.6 23.5 21.9 53 52 A Y T 3 S+ 0 0 242 1,-0.2 -1,-0.3 -3,-0.1 -22,-0.1 0.696 100.4 148.0 63.4 18.6 -12.7 23.0 24.0 54 53 A D < - 0 0 21 -3,-1.5 2,-0.3 -24,-0.1 -24,-0.2 -0.247 41.1-141.4 -75.3 167.9 -13.9 20.5 21.5 55 54 A S E -C 29 0B 70 -26,-1.5 -26,-2.9 -3,-0.1 2,-0.4 -0.969 13.9-161.0-126.1 148.5 -16.0 17.5 22.2 56 55 A I E -C 28 0B 33 -2,-0.3 2,-0.5 -28,-0.2 -28,-0.2 -0.998 4.8-157.8-134.3 127.8 -15.5 14.1 20.4 57 56 A H E -C 27 0B 114 -30,-2.5 -30,-1.9 -2,-0.4 2,-0.3 -0.942 11.0-171.5-106.5 133.6 -17.9 11.2 20.1 58 57 A c E +C 26 0B 36 -2,-0.5 2,-0.3 -32,-0.2 -32,-0.2 -0.923 11.1 162.4-125.6 142.8 -16.6 7.7 19.4 59 58 A d E -C 25 0B 20 -34,-1.8 -34,-2.5 -2,-0.3 6,-0.1 -0.929 32.7-136.7-156.9 167.8 -18.6 4.7 18.6 60 59 A K + 0 0 134 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.0 0.113 65.5 90.2-133.8 23.4 -18.1 1.2 17.1 61 60 A T S > S- 0 0 100 -59,-0.1 3,-2.0 -36,-0.1 4,-0.2 -0.819 88.8 -73.6-116.7 162.3 -20.9 0.4 14.7 62 61 A D T 3 S- 0 0 100 1,-0.3 -58,-0.2 -2,-0.3 -2,-0.1 -0.345 114.2 -10.6 -60.4 123.2 -21.2 1.0 10.9 63 62 A K T > S+ 0 0 107 -60,-3.2 3,-1.0 1,-0.1 -1,-0.3 0.719 86.5 143.0 59.9 28.5 -21.8 4.7 10.2 64 63 A d T < + 0 0 34 -3,-2.0 -2,-0.1 -61,-0.4 -1,-0.1 0.634 61.9 67.3 -67.1 -14.3 -22.4 5.4 13.9 65 64 A N T 3 0 0 2 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.060 360.0 360.0-103.4 25.2 -20.7 8.7 13.5 66 65 A E < 0 0 83 -3,-1.0 -1,-0.2 -39,-0.0 -2,-0.1 0.871 360.0 360.0 -54.1 360.0 -23.3 10.2 11.2