==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-FEB-04 1VB0 . COMPND 2 MOLECULE: COBROTOXIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR X.LOU,Q.LIU,M.TENG,L.NIU,Q.HUANG,Q.HAO . 61 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 45.9 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 31.1 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 . 2 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.2 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 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 L 0 0 60 0, 0.0 16,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.7 17.4 41.6 -20.7 2 2 A E E -A 16 0A 49 14,-0.2 56,-3.0 12,-0.0 57,-0.4 -0.916 360.0-177.1-106.1 128.0 18.8 42.8 -23.9 3 3 A a E -A 15 0A 0 12,-2.5 12,-2.5 -2,-0.4 37,-0.1 -0.978 29.0-112.9-128.7 142.6 20.9 40.4 -25.9 4 4 A H E +A 14 0A 18 -2,-0.4 10,-0.3 10,-0.2 20,-0.3 -0.378 31.6 174.8 -63.5 151.1 22.9 40.6 -29.2 5 5 A N + 0 0 57 8,-1.7 33,-0.4 34,-0.1 9,-0.2 0.357 32.9 119.0-143.8 3.9 21.4 38.5 -31.9 6 6 A Q - 0 0 4 7,-0.8 2,-0.3 31,-0.1 32,-0.0 -0.361 61.7-114.9 -71.9 158.0 23.5 39.3 -35.1 7 7 A Q > - 0 0 114 30,-0.1 3,-2.5 4,-0.1 30,-0.2 -0.664 58.7 -43.9 -94.3 146.3 25.4 36.5 -36.8 8 8 A S T 3 S- 0 0 33 28,-2.6 27,-0.1 -2,-0.3 -2,-0.1 -0.025 122.5 -12.8 42.7-125.3 29.2 36.2 -37.1 9 9 A S T 3 S+ 0 0 123 3,-0.0 -1,-0.3 2,-0.0 26,-0.0 0.169 97.4 132.0 -97.9 18.2 30.8 39.6 -38.1 10 10 A Q S < S- 0 0 103 -3,-2.5 3,-0.1 1,-0.2 -4,-0.1 -0.192 75.1 -77.0 -62.2 158.2 27.6 41.4 -39.1 11 11 A T - 0 0 119 1,-0.1 -1,-0.2 -5,-0.0 -4,-0.1 -0.311 67.0 -95.7 -49.6 131.6 26.9 44.8 -37.8 12 12 A P + 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.254 50.2 172.7 -59.4 142.3 25.7 44.3 -34.2 13 13 A T - 0 0 69 -3,-0.1 -8,-1.7 2,-0.0 -7,-0.8 -0.938 12.4-154.6-135.1 162.3 22.0 44.2 -33.4 14 14 A T E -A 4 0A 55 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.936 3.8-157.5-133.6 162.3 20.1 43.4 -30.3 15 15 A K E -A 3 0A 95 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.7 -0.895 25.4-118.5-127.3 160.1 16.8 42.0 -29.3 16 16 A T E -A 2 0A 115 -2,-0.3 -14,-0.2 -14,-0.2 24,-0.1 -0.906 35.1-129.2-100.2 115.3 14.8 42.4 -26.0 17 17 A b - 0 0 14 -16,-2.7 6,-0.0 -2,-0.7 22,-0.0 -0.178 6.5-143.8 -63.6 159.1 14.3 39.0 -24.5 18 18 A S S S- 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.373 83.5 -22.1-123.7 53.6 10.8 38.0 -23.4 19 19 A G S S+ 0 0 69 1,-0.4 -2,-0.1 -18,-0.1 22,-0.0 -0.052 100.1 121.7 137.1 -37.1 11.5 36.0 -20.3 20 20 A E - 0 0 75 1,-0.1 -1,-0.4 -19,-0.1 -3,-0.1 -0.216 40.9-165.2 -67.3 151.1 15.1 34.8 -20.6 21 21 A T S S+ 0 0 111 19,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.219 71.0 58.4-121.1 14.0 17.7 35.6 -18.0 22 22 A N - 0 0 45 -21,-0.1 19,-3.2 33,-0.0 2,-0.3 -0.963 62.0-152.8-129.8 154.5 20.7 34.7 -20.1 23 23 A a E -BC 40 54B 0 31,-2.0 31,-2.4 -2,-0.3 2,-0.4 -0.865 21.2-153.1-108.0 160.5 22.2 35.7 -23.4 24 24 A Y E -BC 39 53B 44 15,-2.7 15,-1.9 -2,-0.3 2,-0.4 -0.958 19.1-170.8-134.1 154.4 24.3 33.3 -25.4 25 25 A K E -BC 38 52B 43 27,-2.3 27,-2.6 -2,-0.4 2,-0.4 -0.984 15.1-175.9-136.2 126.9 27.1 33.4 -28.0 26 26 A K E +BC 37 51B 44 11,-2.8 11,-2.6 -2,-0.4 2,-0.3 -0.973 8.2 170.5-124.6 138.5 28.0 30.1 -29.7 27 27 A W E +BC 36 50B 79 23,-2.4 23,-2.9 -2,-0.4 2,-0.3 -0.998 12.8 151.5-153.2 153.4 30.8 29.7 -32.2 28 28 A W E -B 35 0B 86 7,-1.6 7,-3.2 -2,-0.3 2,-0.4 -0.934 36.7-104.2-162.8 173.7 32.8 27.1 -34.1 29 29 A S E +B 34 0B 77 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.896 26.0 177.2-116.5 148.3 34.8 27.1 -37.4 30 30 A D E > -B 33 0B 68 3,-2.3 3,-1.0 -2,-0.4 0, 0.0 -0.475 60.9 -64.6-122.9-164.1 34.2 25.7 -40.9 31 31 A H T 3 S+ 0 0 174 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.684 134.8 46.8 -63.3 -18.3 36.3 25.9 -44.0 32 32 A R T 3 S- 0 0 207 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.649 117.7-102.2 -97.1 -13.7 35.7 29.7 -44.2 33 33 A G E < S+B 30 0B 31 -3,-1.0 -3,-2.3 2,-0.0 -1,-0.3 -0.942 70.7 5.1 127.7-156.0 36.5 30.5 -40.6 34 34 A T E -B 29 0B 84 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.534 50.4-163.4 -79.4 133.8 34.5 31.3 -37.5 35 35 A I E -B 28 0B 37 -7,-3.2 -7,-1.6 -2,-0.3 2,-0.4 -0.915 10.3-167.0-108.6 134.2 30.7 31.2 -37.4 36 36 A I E -B 27 0B 23 -2,-0.4 -28,-2.6 -9,-0.2 2,-0.4 -0.994 10.0-171.5-129.3 134.0 28.9 32.9 -34.5 37 37 A E E -B 26 0B 61 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.3 -0.950 12.1-175.5-119.0 141.7 25.3 32.6 -33.4 38 38 A R E +B 25 0B 21 -2,-0.4 2,-0.3 -33,-0.4 -13,-0.2 -0.992 19.5 108.7-139.3 144.0 23.9 35.0 -30.7 39 39 A G E -B 24 0B 2 -15,-1.9 -15,-2.7 -2,-0.3 2,-0.3 -0.947 58.6 -42.4-178.4-160.5 20.5 35.3 -28.9 40 40 A b E S+B 23 0B 17 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.2 -0.704 90.9 22.6 -89.9 145.4 18.5 34.9 -25.7 41 41 A G S S- 0 0 16 -19,-3.2 13,-0.2 -2,-0.3 -2,-0.2 -0.464 83.2 -89.5 98.7-170.6 18.7 31.9 -23.3 42 42 A c - 0 0 66 -2,-0.2 -1,-0.1 11,-0.1 11,-0.1 -0.752 48.4-166.1-143.4 89.5 21.5 29.4 -22.7 43 43 A P - 0 0 45 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.351 27.0-104.9 -79.3 157.9 21.0 26.4 -25.0 44 44 A K - 0 0 197 -2,-0.1 2,-0.3 1,-0.0 -2,-0.0 -0.550 44.4-154.9 -64.9 144.3 22.5 23.0 -25.0 45 45 A V - 0 0 37 -2,-0.2 3,-0.1 4,-0.1 6,-0.1 -0.898 21.7 -97.6-124.3 155.6 25.2 22.8 -27.8 46 46 A K > - 0 0 158 -2,-0.3 3,-1.8 1,-0.1 -1,-0.0 -0.411 60.0 -87.8 -58.1 138.1 26.8 20.0 -29.8 47 47 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.216 115.5 33.4 -52.7 139.7 30.1 19.0 -28.3 48 48 A G T 3 S+ 0 0 73 1,-0.4 2,-0.3 -3,-0.1 -2,-0.1 0.365 87.6 120.6 90.9 -4.0 33.0 21.0 -29.6 49 49 A V < - 0 0 35 -3,-1.8 -1,-0.4 -21,-0.1 2,-0.4 -0.711 64.0-126.8 -82.9 141.7 31.0 24.2 -29.9 50 50 A N E -C 27 0B 78 -23,-2.9 -23,-2.4 -2,-0.3 2,-0.4 -0.748 33.1-173.7 -86.5 140.1 32.3 27.2 -27.9 51 51 A L E -C 26 0B 64 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.2 -0.997 21.3-173.9-140.2 136.5 29.6 28.7 -25.8 52 52 A N E -C 25 0B 62 -27,-2.6 -27,-2.3 -2,-0.4 2,-0.5 -0.993 5.9-174.8-121.4 122.9 29.2 31.8 -23.5 53 53 A c E +C 24 0B 39 -2,-0.4 -29,-0.2 -29,-0.2 2,-0.2 -0.988 17.6 176.2-111.4 123.7 26.0 32.2 -21.5 54 54 A d E -C 23 0B 19 -31,-2.4 -31,-2.0 -2,-0.5 -13,-0.1 -0.652 29.2-143.3-128.0 175.0 26.1 35.5 -19.7 55 55 A T + 0 0 97 -33,-0.2 2,-0.3 -2,-0.2 -31,-0.0 0.233 65.6 76.9-132.6 8.9 23.6 37.4 -17.6 56 56 A T S > S- 0 0 87 -33,-0.1 3,-1.9 -55,-0.0 4,-0.2 -0.897 88.7 -74.0-130.0 158.1 23.8 41.1 -18.3 57 57 A D T 3 S- 0 0 80 -2,-0.3 -54,-0.2 1,-0.3 -2,-0.1 -0.180 113.1 -4.9 -55.5 131.1 22.5 43.4 -21.0 58 58 A R T > S+ 0 0 128 -56,-3.0 3,-0.7 1,-0.1 -1,-0.3 0.726 88.8 138.1 63.5 27.9 24.5 43.1 -24.3 59 59 A d T < + 0 0 33 -3,-1.9 -2,-0.1 -57,-0.4 -1,-0.1 0.572 57.0 64.6 -80.7 -11.0 27.0 40.7 -22.7 60 60 A N T 3 0 0 0 -4,-0.2 -1,-0.2 -36,-0.1 -2,-0.1 -0.062 360.0 360.0-109.9 29.9 27.1 38.4 -25.7 61 61 A N < 0 0 91 -3,-0.7 -36,-0.1 -36,-0.1 -23,-0.0 -0.534 360.0 360.0 -71.4 360.0 28.7 40.5 -28.4