==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-MAR-94 1FRA . 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) . 4308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 46.8 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 . 8 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.8 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 1 0 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 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 0 115 0, 0.0 16,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 114.1 0.4 1.1 1.0 2 2 A I E -A 16 0A 57 14,-0.2 57,-1.3 20,-0.1 2,-0.3 -0.829 360.0-172.7-124.1 163.2 1.2 4.8 0.1 3 3 A a E -A 15 0A 1 12,-1.1 12,-2.6 -2,-0.3 38,-0.2 -0.932 29.2-113.7-158.1 130.8 3.6 7.3 1.4 4 4 A F E -A 14 0A 22 -2,-0.3 10,-0.2 10,-0.2 21,-0.2 -0.400 24.7-167.4 -65.3 138.5 4.1 11.0 0.8 5 5 A N + 0 0 59 8,-1.9 2,-0.1 35,-0.1 9,-0.1 -0.204 52.5 78.4-123.2 45.3 7.4 11.8 -1.0 6 6 A H - 0 0 18 7,-0.2 33,-0.4 4,-0.1 2,-0.2 -0.314 60.1-138.0-126.4-149.6 7.9 15.5 -0.8 7 7 A Q > - 0 0 54 31,-0.1 2,-1.4 -2,-0.1 3,-0.8 -0.819 60.7 -0.3-180.0 137.2 9.2 18.0 1.8 8 8 A S T 3 S- 0 0 76 29,-0.4 30,-0.0 -2,-0.2 -2,-0.0 -0.598 117.7 -44.0 81.4 -85.5 8.4 21.4 3.3 9 9 A S T 3 S+ 0 0 105 -2,-1.4 -1,-0.2 2,-0.1 3,-0.2 0.473 86.7 128.6-157.1 -12.5 5.4 22.6 1.3 10 10 A Q S < S- 0 0 82 -3,-0.8 -3,-0.1 1,-0.2 3,-0.1 -0.033 84.3 -58.2 -47.0 162.4 5.6 22.0 -2.5 11 11 A P - 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.186 68.8-108.3 -47.1 124.9 2.6 20.2 -3.9 12 12 A Q - 0 0 143 -3,-0.2 2,-0.3 -6,-0.1 50,-0.0 -0.279 38.6-168.4 -60.9 138.2 2.2 17.0 -2.0 13 13 A T - 0 0 65 -3,-0.1 -8,-1.9 2,-0.0 2,-0.4 -0.929 8.6-143.1-125.6 152.3 3.1 13.9 -4.0 14 14 A T E -A 4 0A 81 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.959 9.8-168.3-124.6 139.3 2.5 10.2 -3.2 15 15 A K E -A 3 0A 108 -12,-2.6 -12,-1.1 -2,-0.4 2,-0.5 -0.982 23.3-127.9-125.2 129.4 4.6 7.2 -3.9 16 16 A T E -A 2 0A 101 -2,-0.4 -14,-0.2 -14,-0.2 25,-0.1 -0.640 45.2 -96.5 -76.6 122.3 3.5 3.6 -3.6 17 17 A b - 0 0 24 -16,-0.9 -1,-0.1 -2,-0.5 3,-0.1 -0.016 44.9-120.7 -37.8 133.1 6.0 1.8 -1.4 18 18 A S > - 0 0 48 1,-0.2 3,-0.8 -3,-0.1 -1,-0.1 -0.265 44.3 -65.8 -76.2 165.3 8.5 -0.1 -3.6 19 19 A P T 3 S+ 0 0 126 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 -0.161 126.5 13.4 -49.6 141.1 9.0 -3.8 -3.5 20 20 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 -0.178 112.6 94.0 83.1 -47.1 10.5 -4.9 -0.2 21 21 A E < + 0 0 93 -2,-1.4 -1,-0.2 -3,-0.8 20,-0.0 -0.578 36.6 148.3 -78.9 138.4 9.6 -1.5 1.2 22 22 A S + 0 0 65 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.1 0.287 42.9 87.6-153.6 10.7 6.2 -1.3 3.0 23 23 A S - 0 0 23 -22,-0.1 2,-0.3 33,-0.0 33,-0.2 -0.376 60.3-134.8-105.7-173.4 6.6 1.3 5.7 24 24 A a E -B 55 0B 0 31,-1.2 31,-2.7 17,-0.3 2,-0.4 -0.980 18.5-169.6-145.9 129.7 6.1 5.0 6.0 25 25 A Y E -BC 54 40B 30 15,-3.1 15,-1.6 -2,-0.3 2,-0.5 -0.934 12.1-162.2-127.8 150.5 8.4 7.5 7.7 26 26 A H E -BC 53 39B 22 27,-1.7 27,-2.8 -2,-0.4 2,-0.8 -0.955 5.1-170.0-129.7 111.6 8.2 11.2 8.6 27 27 A K E +BC 52 38B 33 11,-2.5 11,-3.1 -2,-0.5 2,-0.5 -0.847 14.6 175.6-105.1 101.8 11.4 13.0 9.4 28 28 A Q E +BC 51 37B 81 23,-2.2 23,-2.0 -2,-0.8 2,-0.3 -0.898 14.7 129.8-111.4 133.3 10.6 16.4 10.8 29 29 A W E - C 0 36B 48 7,-3.0 7,-2.4 -2,-0.5 2,-0.2 -0.931 42.5-124.5-172.9 148.2 13.1 18.9 12.1 30 30 A S E + C 0 35B 77 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.674 34.2 150.6-101.3 158.6 14.1 22.6 11.8 31 31 A D - 0 0 106 3,-1.5 -1,-0.1 -2,-0.2 4,-0.0 -0.434 65.1 -43.3-150.5-134.3 17.4 24.0 10.8 32 32 A F S S+ 0 0 174 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.749 134.4 48.6 -84.9 -22.7 18.8 27.1 9.1 33 33 A R S S- 0 0 185 1,-0.4 2,-0.3 0, 0.0 -1,-0.2 0.793 117.6-113.5 -83.8 -27.8 16.2 27.1 6.3 34 34 A G S S+ 0 0 27 -5,-0.0 -3,-1.5 2,-0.0 2,-0.5 -0.925 75.3 9.8 129.7-154.5 13.4 26.6 8.8 35 35 A T E S-C 30 0B 85 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.422 71.9-165.9 -61.5 110.4 11.0 23.7 9.5 36 36 A I E -C 29 0B 20 -7,-2.4 -7,-3.0 -2,-0.5 2,-0.4 -0.831 8.3-176.2-101.8 137.5 12.4 20.9 7.4 37 37 A I E -C 28 0B 22 -2,-0.4 -29,-0.4 -9,-0.2 2,-0.2 -0.903 4.1-177.7-139.0 111.6 10.4 17.8 6.7 38 38 A E E +C 27 0B 75 -11,-3.1 -11,-2.5 -2,-0.4 2,-0.3 -0.666 13.7 169.1-100.0 159.2 11.6 14.7 4.8 39 39 A R E +C 26 0B 19 -33,-0.4 2,-0.3 -2,-0.2 -13,-0.2 -0.987 10.3 118.0-161.4 168.8 9.3 11.7 4.1 40 40 A G E -C 25 0B 9 -15,-1.6 -15,-3.1 -2,-0.3 2,-0.3 -0.909 61.9 -43.3 152.7 179.6 8.9 8.5 2.2 41 41 A b S S+ 0 0 21 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.3 -0.620 99.4 28.3 -80.9 134.5 8.5 4.7 2.5 42 42 A G S S- 0 0 10 -2,-0.3 -18,-0.2 13,-0.2 13,-0.2 -0.916 82.5 -96.8 124.1-152.3 10.7 2.9 5.1 43 43 A c - 0 0 75 -2,-0.3 -1,-0.1 -20,-0.1 11,-0.1 -0.245 42.9-179.1-173.2 71.0 12.3 4.1 8.4 44 44 A P - 0 0 66 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.007 32.0 -91.7 -70.1 178.6 15.9 5.2 8.1 45 45 A T - 0 0 132 1,-0.0 2,-0.3 7,-0.0 -2,-0.0 -0.402 41.0-164.9 -88.2 169.1 18.2 6.4 10.8 46 46 A V - 0 0 55 -2,-0.1 3,-0.0 4,-0.1 6,-0.0 -0.871 24.3 -89.1-145.8 179.0 18.7 10.1 11.8 47 47 A K > - 0 0 151 -2,-0.3 3,-1.5 1,-0.1 0, 0.0 -0.685 59.4 -81.4 -93.8 149.4 20.9 12.5 13.8 48 48 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.221 117.9 26.1 -50.1 123.4 20.4 13.2 17.5 49 49 A G T 3 S+ 0 0 69 1,-0.4 0, 0.0 -3,-0.0 0, 0.0 -0.337 88.8 112.7 117.6 -50.6 17.6 15.7 17.8 50 50 A I < - 0 0 26 -3,-1.5 2,-0.7 1,-0.1 -1,-0.4 -0.226 67.5-126.0 -55.5 143.6 15.7 15.1 14.6 51 51 A K E -B 28 0B 144 -23,-2.0 -23,-2.2 -3,-0.1 2,-0.6 -0.846 24.6-168.9 -99.2 117.3 12.2 13.7 15.2 52 52 A L E -B 27 0B 60 -2,-0.7 2,-0.7 -25,-0.2 -25,-0.2 -0.904 4.3-174.4-109.7 115.9 11.4 10.5 13.3 53 53 A S E -B 26 0B 55 -27,-2.8 -27,-1.7 -2,-0.6 2,-0.4 -0.912 8.5-174.8-110.2 110.2 7.8 9.2 13.2 54 54 A c E +B 25 0B 51 -2,-0.7 2,-0.4 -29,-0.2 -29,-0.2 -0.889 6.4 175.4-111.2 134.6 7.4 5.8 11.6 55 55 A d E -B 24 0B 41 -31,-2.7 -31,-1.2 -2,-0.4 -13,-0.2 -0.992 30.0-143.0-134.1 140.0 4.2 4.1 10.9 56 56 A E S S+ 0 0 157 -2,-0.4 2,-0.2 -33,-0.2 -31,-0.1 -0.121 75.8 89.5 -93.5 39.1 3.5 0.8 9.0 57 57 A S S S- 0 0 70 -33,-0.1 3,-0.2 -2,-0.1 2,-0.2 -0.636 85.7 -79.4-122.7-178.4 0.3 2.2 7.5 58 58 A E S S- 0 0 114 -2,-0.2 -55,-0.2 1,-0.2 -34,-0.1 -0.518 99.6 -1.5 -84.7 154.6 -0.6 4.0 4.4 59 59 A V S S+ 0 0 51 -57,-1.3 -1,-0.2 -2,-0.2 -56,-0.2 0.837 77.4 139.9 30.9 92.5 -0.1 7.8 4.0 60 60 A d + 0 0 28 -3,-0.2 -1,-0.1 -58,-0.2 -57,-0.1 0.201 55.9 61.9-143.3 15.7 1.3 8.8 7.4 61 61 A N 0 0 0 -36,-0.1 -34,-0.1 -7,-0.0 -2,-0.1 0.350 360.0 360.0-125.4 4.2 4.0 11.3 6.7 62 62 A N 0 0 124 -36,-0.1 -58,-0.0 -55,-0.0 0, 0.0 -0.002 360.0 360.0 -51.4 360.0 2.1 14.2 5.1