==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-MAR-94 1ERA . COMPND 2 MOLECULE: ERABUTOXIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: LATICAUDA SEMIFASCIATA; . AUTHOR H.HATANAKA,D.KOHDA,F.INAGAKI . 62 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 50.0 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 . 17 27.4 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 1.6 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 . 10 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.2 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 1 0 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 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 1 A R 0 0 140 0, 0.0 16,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 170.2 0.3 1.1 1.0 2 2 A I - 0 0 50 14,-0.2 57,-1.0 38,-0.0 2,-0.3 -0.968 360.0-172.8-144.6 161.1 1.4 4.7 0.2 3 3 A a E -A 15 0A 0 12,-1.2 12,-2.6 -2,-0.3 38,-0.2 -0.943 29.1-114.9-157.4 131.2 3.8 7.3 1.4 4 4 A F E -A 14 0A 15 -2,-0.3 10,-0.2 10,-0.2 21,-0.2 -0.349 22.1-166.3 -65.4 145.9 4.4 10.9 0.6 5 5 A N + 0 0 54 8,-2.8 2,-0.2 35,-0.1 9,-0.1 -0.176 50.6 83.2-129.6 44.9 7.7 11.8 -1.1 6 6 A H - 0 0 7 7,-0.1 2,-0.3 2,-0.1 33,-0.3 -0.480 63.3-118.5-126.8-161.0 8.1 15.6 -1.0 7 7 A Q - 0 0 63 -2,-0.2 31,-0.1 31,-0.1 29,-0.1 -0.983 61.0 -23.2-145.1 155.7 9.3 18.3 1.4 8 8 A S S S- 0 0 62 29,-0.6 2,-0.7 -2,-0.3 -2,-0.1 -0.017 116.2 -17.7 41.1-142.6 7.9 21.4 3.1 9 9 A S S S+ 0 0 118 -3,-0.0 -1,-0.1 2,-0.0 0, 0.0 -0.827 91.8 116.9 -97.9 115.1 4.9 22.8 1.4 10 10 A Q S S- 0 0 77 -2,-0.7 2,-0.6 3,-0.0 3,-0.1 -0.954 79.5 -59.8-168.9 152.4 4.5 21.6 -2.2 11 11 A P - 0 0 117 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.098 69.2-123.2 -42.1 89.6 2.0 19.6 -4.3 12 12 A Q - 0 0 124 -2,-0.6 2,-0.4 1,-0.1 -3,-0.0 -0.068 27.3-157.5 -43.2 124.3 2.3 16.5 -2.3 13 13 A T - 0 0 63 -3,-0.1 -8,-2.8 2,-0.0 2,-0.4 -0.907 6.1-143.1-109.1 135.5 3.4 13.6 -4.5 14 14 A T E -A 4 0A 79 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.815 10.7-165.7-106.2 141.6 2.7 10.0 -3.4 15 15 A K E -A 3 0A 116 -12,-2.6 -12,-1.2 -2,-0.4 2,-0.5 -0.978 24.0-125.2-123.1 127.0 4.9 7.0 -3.9 16 16 A T - 0 0 104 -2,-0.4 -14,-0.2 -14,-0.2 25,-0.1 -0.574 42.7-103.1 -71.9 121.6 3.7 3.4 -3.4 17 17 A b - 0 0 18 -2,-0.5 -1,-0.1 -16,-0.3 3,-0.1 -0.109 39.8-123.1 -43.9 134.9 6.0 1.8 -0.9 18 18 A S > - 0 0 51 1,-0.2 3,-1.0 -3,-0.1 -1,-0.1 -0.327 42.8 -67.8 -79.1 165.9 8.5 -0.4 -2.7 19 19 A P T 3 S+ 0 0 129 0, 0.0 2,-1.7 0, 0.0 -1,-0.2 -0.085 124.5 21.0 -49.5 151.2 8.9 -4.2 -1.9 20 20 A G T 3 S+ 0 0 74 1,-0.2 2,-0.9 -3,-0.1 22,-0.1 -0.167 102.3 101.0 80.5 -47.3 10.4 -4.9 1.5 21 21 A E < + 0 0 81 -2,-1.7 -1,-0.2 -3,-1.0 20,-0.0 -0.606 37.8 158.1 -74.5 107.6 9.3 -1.4 2.5 22 22 A S + 0 0 75 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.076 53.7 59.4-117.6 22.9 6.1 -1.9 4.5 23 23 A S - 0 0 21 33,-0.1 19,-1.3 -22,-0.1 2,-0.3 -0.991 68.1-130.7-149.6 157.5 6.1 1.3 6.5 24 24 A a E -BC 41 55B 0 31,-2.0 31,-1.4 -2,-0.3 2,-0.4 -0.699 20.8-155.7-104.7 158.9 6.0 5.1 6.1 25 25 A Y E -BC 40 54B 19 15,-2.7 15,-1.4 -2,-0.3 2,-0.5 -0.997 9.4-162.1-141.8 139.0 8.4 7.6 7.8 26 26 A H E -BC 39 53B 28 27,-1.2 27,-2.1 -2,-0.4 2,-0.8 -0.953 6.6-169.6-120.5 113.7 8.2 11.2 8.7 27 27 A K E +BC 38 52B 38 11,-2.2 11,-3.1 -2,-0.5 2,-0.4 -0.861 14.5 171.9-106.5 104.6 11.4 13.1 9.4 28 28 A Q E +BC 37 51B 78 23,-1.3 23,-1.8 -2,-0.8 2,-0.3 -0.923 9.9 138.2-116.5 137.1 10.8 16.5 10.9 29 29 A W E -B 36 0B 53 7,-2.5 7,-1.5 -2,-0.4 2,-0.2 -0.846 43.8-119.4-173.6 134.0 13.4 18.9 12.3 30 30 A S E +B 35 0B 87 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.492 40.4 155.5 -78.5 148.5 14.1 22.6 12.2 31 31 A D - 0 0 95 3,-0.9 -1,-0.1 -2,-0.2 0, 0.0 -0.299 62.0 -50.8-140.0-135.1 17.4 23.8 10.8 32 32 A F S S+ 0 0 170 1,-0.1 3,-0.1 -2,-0.1 -2,-0.1 0.551 132.0 51.9 -91.9 -7.8 18.8 27.0 9.2 33 33 A R S S- 0 0 186 1,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.700 115.3-108.9 -98.0 -24.0 16.0 27.2 6.6 34 34 A G S S+ 0 0 30 -5,-0.1 -3,-0.9 2,-0.0 2,-0.6 -0.849 84.4 11.6 136.6 -99.9 13.2 27.0 9.2 35 35 A T E -B 30 0B 85 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.907 64.2-167.9-119.8 105.0 11.1 23.7 9.2 36 36 A I E -B 29 0B 25 -7,-1.5 -7,-2.5 -2,-0.6 2,-0.5 -0.801 5.7-178.1 -94.4 125.7 12.6 20.8 7.3 37 37 A I E -B 28 0B 24 -2,-0.5 -29,-0.6 -9,-0.2 -9,-0.2 -0.862 1.1-175.9-127.5 99.1 10.2 17.9 6.8 38 38 A E E +B 27 0B 58 -11,-3.1 -11,-2.2 -2,-0.5 2,-0.3 -0.537 13.5 171.2 -86.2 159.4 11.6 14.9 4.9 39 39 A R E +B 26 0B 13 -33,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.986 14.2 101.1-160.8 169.0 9.2 12.0 4.2 40 40 A G E -B 25 0B 8 -15,-1.4 -15,-2.7 -2,-0.3 2,-0.4 -0.914 64.1 -51.0 143.0-171.4 8.8 8.7 2.3 41 41 A b E S+B 24 0B 23 -2,-0.3 -17,-0.2 -17,-0.2 -20,-0.1 -0.826 97.0 53.5-104.6 143.1 8.9 4.9 2.8 42 42 A G S S- 0 0 17 -19,-1.3 -1,-0.1 -2,-0.4 -18,-0.1 0.858 86.2-115.3 102.6 63.6 11.7 3.0 4.5 43 43 A c - 0 0 57 -20,-0.1 -2,-0.1 -3,-0.1 -1,-0.1 0.075 42.8-159.9 -29.3 94.1 12.4 4.5 8.0 44 44 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.078 22.3 -86.8 -74.6-178.9 16.0 5.8 7.3 45 45 A T - 0 0 132 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.566 45.3-174.2 -90.5 156.7 18.5 6.6 10.0 46 46 A V - 0 0 53 -2,-0.2 6,-0.0 4,-0.1 5,-0.0 -0.803 23.5-102.1-138.8-179.2 18.8 10.0 11.7 47 47 A K > - 0 0 147 -2,-0.2 3,-2.2 1,-0.1 2,-0.1 -0.796 51.4 -80.8-109.0 152.5 20.9 11.9 14.1 48 48 A P T 3 S+ 0 0 143 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.277 119.2 33.8 -52.1 118.8 20.2 12.6 17.8 49 49 A G T 3 S+ 0 0 72 1,-0.5 2,-0.2 -2,-0.1 0, 0.0 -0.139 93.0 100.7 125.7 -36.7 17.7 15.5 17.9 50 50 A I < - 0 0 37 -3,-2.2 -1,-0.5 -21,-0.1 2,-0.4 -0.553 67.9-130.2 -81.3 145.6 15.8 14.9 14.7 51 51 A K E -C 28 0B 142 -23,-1.8 -23,-1.3 -2,-0.2 2,-0.4 -0.777 20.8-174.8 -99.8 140.9 12.3 13.2 15.0 52 52 A L E -C 27 0B 53 -2,-0.4 2,-0.8 -25,-0.2 -25,-0.2 -0.876 2.5-171.2-135.8 102.6 11.3 10.2 13.0 53 53 A S E -C 26 0B 67 -27,-2.1 -27,-1.2 -2,-0.4 2,-0.4 -0.823 8.6-170.1 -98.1 109.3 7.7 9.0 13.2 54 54 A c E +C 25 0B 60 -2,-0.8 2,-0.4 -29,-0.2 -29,-0.2 -0.815 6.1 178.7-100.6 136.1 7.1 5.7 11.5 55 55 A d E -C 24 0B 39 -31,-1.4 -31,-2.0 -2,-0.4 2,-0.8 -0.992 32.5-141.2-138.9 130.9 3.7 4.3 11.0 56 56 A E S S+ 0 0 148 -2,-0.4 2,-0.4 -33,-0.2 -33,-0.1 -0.026 76.5 102.5 -79.0 36.5 2.6 1.0 9.3 57 57 A S S S- 0 0 70 -2,-0.8 -2,-0.1 -33,-0.1 -33,-0.1 -0.973 81.8-103.6-123.3 133.3 -0.4 3.0 7.9 58 58 A E S S+ 0 0 106 -2,-0.4 -55,-0.2 1,-0.1 -34,-0.0 -0.017 98.8 9.4 -46.8 158.4 -0.7 4.3 4.3 59 59 A V S S+ 0 0 53 -57,-1.0 -56,-0.2 1,-0.1 -1,-0.1 0.838 79.9 138.2 28.8 88.6 -0.1 8.1 3.9 60 60 A d + 0 0 30 -58,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.156 47.5 74.0-141.7 17.9 1.2 8.9 7.3 61 61 A N 0 0 0 -36,-0.1 -57,-0.2 -7,-0.0 -1,-0.1 -0.758 360.0 360.0-139.1 93.4 4.1 11.4 6.7 62 62 A N 0 0 106 -2,-0.3 -54,-0.1 -3,-0.1 -2,-0.0 0.035 360.0 360.0 -94.1 360.0 3.2 14.8 5.6