==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 15-JAN-88 3EBX . COMPND 2 MOLECULE: ERABUTOXIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: LATICAUDA SEMIFASCIATA; . AUTHOR J.L.SMITH,P.W.R.CORFIELD,W.A.HENDRICKSON,B.W.LOW . 62 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4207.0 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 . 19 30.6 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 . 3 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.1 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 1 0 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 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 85 0, 0.0 16,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.7 12.4 7.8 9.9 2 2 A I E -A 16 0A 60 14,-0.2 57,-3.0 20,-0.1 2,-0.3 -0.975 360.0-178.5-122.4 131.6 14.7 6.0 12.4 3 3 A a E -A 15 0A 0 12,-2.5 12,-2.5 -2,-0.4 38,-0.1 -0.944 32.7-102.6-128.7 159.2 17.3 8.2 14.2 4 4 A F E +A 14 0A 18 -2,-0.3 10,-0.3 10,-0.2 21,-0.3 -0.448 32.5 178.9 -70.6 149.8 20.1 7.6 16.7 5 5 A N + 0 0 63 8,-2.4 34,-0.3 -2,-0.1 9,-0.2 0.288 35.2 120.9-136.4 15.7 19.0 8.6 20.2 6 6 A H - 0 0 14 7,-0.7 2,-0.3 32,-0.1 33,-0.1 -0.393 61.7-116.7 -83.5 155.0 22.1 7.8 22.4 7 7 A Q > - 0 0 79 4,-0.2 3,-2.2 31,-0.1 31,-0.2 -0.694 63.2 -44.9 -91.9 140.8 24.0 10.4 24.4 8 8 A S T 3 S- 0 0 27 29,-2.3 -2,-0.1 -2,-0.3 28,-0.1 0.056 119.0 -19.1 41.4-123.9 27.6 11.2 23.6 9 9 A S T 3 S+ 0 0 128 3,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.176 98.7 127.7-102.9 20.1 29.8 8.2 23.0 10 10 A Q S < S- 0 0 103 -3,-2.2 3,-0.1 1,-0.2 -4,-0.1 -0.107 76.9 -64.9 -66.5 164.8 27.6 5.6 24.7 11 11 A P - 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -4,-0.2 -0.304 69.8 -95.4 -51.6 143.1 26.5 2.4 23.0 12 12 A Q + 0 0 131 -3,-0.1 2,-0.3 -6,-0.1 -3,-0.0 -0.307 47.2 175.9 -67.9 138.4 24.3 3.2 20.0 13 13 A T - 0 0 71 -3,-0.1 -8,-2.4 -2,-0.1 -7,-0.7 -0.945 12.8-149.3-137.1 153.0 20.6 3.2 20.3 14 14 A T E -A 4 0A 80 -2,-0.3 2,-0.4 -10,-0.3 -10,-0.2 -0.866 3.0-155.4-125.7 162.4 17.9 4.1 17.8 15 15 A K E -A 3 0A 107 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.6 -0.997 17.3-134.3-134.0 134.7 14.4 5.6 17.9 16 16 A T E -A 2 0A 107 -2,-0.4 -14,-0.2 -14,-0.2 25,-0.1 -0.824 33.1-137.6 -89.4 120.9 11.6 5.2 15.4 17 17 A b - 0 0 14 -16,-2.8 3,-0.1 -2,-0.6 7,-0.0 -0.190 23.7 -87.7 -75.0 172.2 10.1 8.7 14.9 18 18 A S > - 0 0 88 1,-0.1 3,-2.2 2,-0.1 -1,-0.2 -0.341 62.5 -74.2 -76.4 160.4 6.4 9.6 14.6 19 19 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.272 118.5 17.0 -54.6 133.3 4.8 9.4 11.1 20 20 A G T 3 S+ 0 0 86 1,-0.3 2,-0.7 -3,-0.1 -2,-0.1 0.416 87.9 128.2 83.9 -2.8 5.8 12.3 8.8 21 21 A E < + 0 0 69 -3,-2.2 -1,-0.3 1,-0.1 -4,-0.1 -0.780 27.9 172.2 -86.3 122.9 8.8 13.3 10.9 22 22 A S + 0 0 41 -2,-0.7 2,-0.2 -3,-0.1 -1,-0.1 0.631 46.5 78.9-106.9 -4.9 11.7 13.4 8.4 23 23 A S - 0 0 12 33,-0.1 19,-2.8 -22,-0.1 2,-0.3 -0.629 49.1-166.9-108.4 163.0 14.5 14.9 10.5 24 24 A a E -BC 41 55B 0 31,-2.4 31,-2.0 17,-0.3 2,-0.3 -0.903 18.1-148.3-130.0 161.7 17.0 13.8 13.1 25 25 A Y E -BC 40 54B 30 15,-2.4 15,-1.5 -2,-0.3 2,-0.4 -0.907 16.6-162.5-138.2 160.7 19.1 16.0 15.3 26 26 A H E -BC 39 53B 35 27,-2.1 27,-2.1 -2,-0.3 2,-0.4 -0.990 19.2-175.4-136.7 116.1 22.4 16.2 17.1 27 27 A K E -BC 38 52B 33 11,-2.9 11,-2.7 -2,-0.4 2,-0.4 -0.972 0.8-175.8-118.4 140.2 22.6 18.9 19.9 28 28 A Q E +BC 37 51B 55 23,-2.7 23,-2.6 -2,-0.4 2,-0.3 -0.999 13.2 144.9-140.2 142.1 25.8 19.6 21.7 29 29 A W E -B 36 0B 65 7,-2.1 7,-3.4 -2,-0.4 2,-0.3 -0.942 35.8-116.8-161.3 171.8 26.6 21.9 24.6 30 30 A S E +B 35 0B 87 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.893 26.6 170.0-117.5 143.7 28.7 22.2 27.7 31 31 A D E > -B 34 0B 58 3,-2.2 3,-0.8 -2,-0.3 -2,-0.0 -0.798 58.3 -79.7-135.3-176.2 27.8 22.4 31.4 32 32 A F T 3 S+ 0 0 198 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.670 127.7 56.8 -62.3 -18.1 29.9 22.2 34.5 33 33 A R T 3 S- 0 0 174 1,-0.3 2,-0.3 3,-0.0 -1,-0.2 0.731 118.1 -87.3 -86.1 -27.5 29.9 18.3 34.2 34 34 A G E < -B 31 0B 31 -3,-0.8 -3,-2.2 2,-0.0 2,-0.5 -0.993 62.9 -31.7 154.3-158.5 31.4 18.1 30.6 35 35 A T E -B 30 0B 90 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.849 56.3-160.9-101.6 126.7 30.4 18.1 27.0 36 36 A I E -B 29 0B 11 -7,-3.4 -7,-2.1 -2,-0.5 2,-0.5 -0.924 12.6-169.0-113.6 139.9 27.1 16.6 26.2 37 37 A I E -B 28 0B 30 -2,-0.4 -29,-2.3 -9,-0.2 2,-0.4 -0.999 9.1-172.9-121.8 126.6 25.7 15.4 22.9 38 38 A E E -B 27 0B 60 -11,-2.7 -11,-2.9 -2,-0.5 2,-0.3 -0.919 3.6-171.9-117.7 142.8 22.0 14.6 22.7 39 39 A R E +B 26 0B 18 -2,-0.4 2,-0.3 -34,-0.3 -13,-0.2 -0.965 19.4 122.7-133.0 149.3 20.4 12.9 19.7 40 40 A G E -B 25 0B 4 -15,-1.5 -15,-2.4 -2,-0.3 2,-0.3 -0.958 54.4 -49.5-176.0-166.8 16.8 12.2 18.7 41 41 A b E S+B 24 0B 27 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.1 -0.652 90.6 19.1 -86.9 151.6 14.0 12.6 16.2 42 42 A G S S- 0 0 8 -19,-2.8 13,-0.2 -2,-0.3 -2,-0.2 -0.370 83.9 -86.7 90.4-174.5 12.9 16.0 14.8 43 43 A c - 0 0 67 -2,-0.1 -1,-0.1 -20,-0.1 3,-0.1 -0.786 46.7-156.7-136.9 93.9 14.7 19.3 14.4 44 44 A P - 0 0 47 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.078 32.0 -74.1 -68.8 173.6 14.1 21.3 17.6 45 45 A T - 0 0 123 1,-0.1 2,-0.4 7,-0.0 0, 0.0 -0.468 50.2-107.5 -66.4 142.3 14.3 25.1 17.9 46 46 A V - 0 0 117 -2,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.616 41.7-163.0 -74.7 127.3 17.8 26.7 17.9 47 47 A K > - 0 0 128 -2,-0.4 3,-1.1 3,-0.1 2,-0.1 -0.837 28.8 -89.4-110.2 149.4 18.5 27.8 21.5 48 48 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.336 109.9 7.9 -63.4 134.4 21.2 30.2 22.6 49 49 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -2,-0.1 -19,-0.2 0.156 103.2 111.3 83.9 -23.5 24.6 28.6 23.3 50 50 A I < - 0 0 43 -3,-1.1 2,-0.6 -21,-0.1 -1,-0.2 -0.621 62.5-140.0 -83.9 140.1 23.5 25.2 22.0 51 51 A K E -C 28 0B 138 -23,-2.6 -23,-2.7 -2,-0.3 2,-0.4 -0.913 26.9-174.5 -99.7 122.4 25.0 23.8 18.8 52 52 A L E -C 27 0B 42 -2,-0.6 2,-0.4 -25,-0.2 -25,-0.2 -0.977 14.1-178.2-125.2 139.1 22.3 22.1 16.8 53 53 A S E -C 26 0B 70 -27,-2.1 -27,-2.1 -2,-0.4 2,-0.3 -0.996 7.3-169.1-133.3 123.8 22.6 20.1 13.5 54 54 A c E +C 25 0B 45 -2,-0.4 2,-0.3 -29,-0.2 -29,-0.2 -0.826 6.2 178.8-114.3 150.2 19.5 18.6 11.8 55 55 A d E -C 24 0B 36 -31,-2.0 -31,-2.4 -2,-0.3 -13,-0.1 -0.937 23.7-142.2-146.5 160.0 19.6 16.1 8.9 56 56 A E + 0 0 132 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.1 -0.360 65.2 83.5-127.9 52.3 16.9 14.3 6.9 57 57 A S S > S- 0 0 65 -55,-0.1 3,-1.4 -33,-0.0 4,-0.2 -0.958 88.1 -65.8-146.2 163.2 18.1 10.8 6.2 58 58 A E T 3 S- 0 0 93 -2,-0.3 -55,-0.2 1,-0.3 -2,-0.1 -0.228 112.5 -16.0 -54.8 131.6 18.1 7.4 8.1 59 59 A V T 3 S+ 0 0 54 -57,-3.0 3,-0.4 1,-0.1 -1,-0.3 0.804 89.5 147.0 38.2 48.0 20.3 7.3 11.2 60 60 A d < + 0 0 30 -3,-1.4 -1,-0.1 -58,-0.3 -2,-0.1 0.585 47.0 77.3 -84.4 -13.9 22.0 10.5 9.9 61 61 A N 0 0 4 -4,-0.2 -1,-0.2 -36,-0.1 -2,-0.1 0.044 360.0 360.0 -93.2 33.8 22.7 12.0 13.4 62 62 A N 0 0 121 -3,-0.4 -36,-0.0 -36,-0.1 -50,-0.0 -0.345 360.0 360.0 -62.5 360.0 25.7 10.0 14.7