==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-FEB-03 1ONJ . COMPND 2 MOLECULE: COBROTOXIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR X.LOU,X.TU,G.PAN,C.XU,R.FAN,W.LU,W.DENG,P.RAO,M.TENG,L.NIU . 61 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4183.0 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 63 0, 0.0 16,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 129.7 17.7 42.2 -20.9 2 2 A E E -A 16 0A 50 14,-0.2 56,-2.9 12,-0.0 57,-0.4 -0.894 360.0-177.5-105.6 131.2 19.2 43.4 -24.2 3 3 A a E -A 15 0A 0 12,-2.5 12,-2.5 -2,-0.5 37,-0.1 -0.967 29.3-113.4-131.1 147.5 21.3 41.0 -26.2 4 4 A H E +A 14 0A 20 -2,-0.4 10,-0.3 10,-0.2 20,-0.3 -0.466 31.7 174.3 -71.9 148.9 23.2 41.2 -29.5 5 5 A N + 0 0 59 8,-1.7 33,-0.3 -2,-0.1 9,-0.2 0.299 32.5 119.4-140.5 9.0 21.7 39.0 -32.2 6 6 A Q - 0 0 7 7,-0.8 2,-0.3 31,-0.1 32,-0.1 -0.382 62.5-111.1 -77.4 159.0 23.7 39.8 -35.4 7 7 A Q > - 0 0 115 4,-0.1 3,-2.7 30,-0.1 30,-0.2 -0.669 59.2 -48.6 -94.2 145.9 25.7 37.0 -37.1 8 8 A S T 3 S- 0 0 36 28,-2.7 27,-0.1 -2,-0.3 -2,-0.1 0.019 121.7 -12.3 35.8-117.6 29.4 36.7 -37.4 9 9 A S T 3 S+ 0 0 121 3,-0.0 -1,-0.3 2,-0.0 26,-0.0 0.194 98.1 129.7 -98.6 16.6 31.0 40.0 -38.4 10 10 A Q S < S- 0 0 115 -3,-2.7 3,-0.1 1,-0.2 -4,-0.1 -0.197 76.5 -73.0 -66.0 162.0 27.8 41.8 -39.5 11 11 A T - 0 0 119 1,-0.1 -1,-0.2 -5,-0.0 -4,-0.1 -0.307 66.8 -97.5 -54.5 132.6 27.0 45.3 -38.2 12 12 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.254 50.5 170.1 -58.9 139.6 25.9 44.9 -34.6 13 13 A T - 0 0 68 -3,-0.1 -8,-1.7 2,-0.0 -7,-0.8 -0.939 13.6-154.9-142.3 159.1 22.2 44.7 -33.7 14 14 A T E -A 4 0A 56 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.925 3.9-156.4-136.7 164.0 20.4 43.9 -30.5 15 15 A K E -A 3 0A 96 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.7 -0.931 25.2-118.7-134.9 156.5 17.0 42.6 -29.5 16 16 A T E -A 2 0A 117 -2,-0.3 -14,-0.2 -14,-0.2 24,-0.1 -0.895 35.4-132.1 -99.8 114.2 15.2 42.9 -26.2 17 17 A b - 0 0 13 -16,-2.5 2,-0.3 -2,-0.7 6,-0.0 -0.201 4.0-137.4 -62.5 156.9 14.7 39.4 -24.7 18 18 A S S S- 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.530 82.5 -28.7-116.3 63.8 11.2 38.4 -23.5 19 19 A G S S+ 0 0 68 1,-0.4 -2,-0.1 -2,-0.3 22,-0.0 -0.052 97.7 126.0 123.0 -34.5 12.0 36.6 -20.2 20 20 A E - 0 0 79 1,-0.1 -1,-0.4 -19,-0.1 -3,-0.1 -0.217 42.1-161.0 -58.5 147.6 15.5 35.2 -20.8 21 21 A T + 0 0 108 2,-0.0 2,-0.3 19,-0.0 -1,-0.1 0.160 69.9 59.0-115.9 15.4 18.1 36.1 -18.2 22 22 A N - 0 0 44 -21,-0.1 19,-3.1 33,-0.0 2,-0.3 -0.959 61.1-152.9-139.5 156.7 21.2 35.2 -20.3 23 23 A a E -BC 40 54B 0 31,-2.1 31,-2.1 -2,-0.3 2,-0.3 -0.881 23.2-153.4-120.0 155.2 22.6 36.3 -23.6 24 24 A Y E -BC 39 53B 41 15,-2.6 15,-1.8 -2,-0.3 2,-0.4 -0.965 18.9-170.4-137.4 155.0 24.7 33.9 -25.6 25 25 A K E -BC 38 52B 44 27,-2.0 27,-2.5 -2,-0.3 2,-0.4 -0.982 14.1-178.9-139.7 122.5 27.5 33.9 -28.2 26 26 A K E +BC 37 51B 36 11,-2.7 11,-2.7 -2,-0.4 2,-0.3 -0.980 6.4 171.2-127.0 139.9 28.5 30.6 -29.9 27 27 A W E +BC 36 50B 79 23,-2.1 23,-2.6 -2,-0.4 2,-0.3 -0.999 11.7 151.1-152.2 152.0 31.3 30.2 -32.4 28 28 A W E -B 35 0B 80 7,-1.5 7,-3.2 -2,-0.3 2,-0.3 -0.912 35.1-105.6-160.5 177.8 33.3 27.6 -34.4 29 29 A S E +B 34 0B 80 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.884 24.2 176.1-125.6 154.3 35.0 27.5 -37.8 30 30 A D E > -B 33 0B 67 3,-2.2 3,-1.1 -2,-0.3 -2,-0.0 -0.613 61.0 -67.6-130.9-168.0 34.6 26.0 -41.2 31 31 A H T 3 S+ 0 0 171 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.716 133.2 50.3 -62.1 -18.4 36.7 26.4 -44.4 32 32 A R T 3 S- 0 0 200 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.649 117.4-103.7 -93.1 -18.1 35.8 30.0 -44.7 33 33 A G E < +B 30 0B 30 -3,-1.1 -3,-2.2 2,-0.0 -1,-0.3 -0.949 67.8 1.1 133.7-153.9 36.6 31.0 -41.2 34 34 A T E -B 29 0B 82 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.560 50.8-162.2 -81.5 133.8 34.8 31.8 -37.9 35 35 A I E -B 28 0B 44 -7,-3.2 -7,-1.5 -2,-0.3 2,-0.4 -0.930 9.9-168.4-111.6 134.6 31.0 31.6 -37.7 36 36 A I E -B 27 0B 27 -2,-0.4 -28,-2.7 -9,-0.2 2,-0.4 -0.991 9.2-170.3-131.9 131.9 29.3 33.3 -34.8 37 37 A E E -B 26 0B 68 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.3 -0.951 11.3-175.8-117.6 139.1 25.7 33.1 -33.6 38 38 A R E +B 25 0B 22 -2,-0.4 2,-0.3 -33,-0.3 -13,-0.2 -0.978 19.5 108.9-136.0 148.0 24.3 35.5 -31.0 39 39 A G E -B 24 0B 4 -15,-1.8 -15,-2.6 -2,-0.3 2,-0.3 -0.979 58.7 -43.5 176.6-165.5 21.0 35.8 -29.2 40 40 A b E S+B 23 0B 20 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.2 -0.641 91.3 21.2 -90.5 149.0 18.9 35.4 -26.0 41 41 A G S S- 0 0 15 -19,-3.1 13,-0.2 -2,-0.3 -2,-0.2 -0.476 83.3 -89.2 96.8-169.6 19.2 32.5 -23.6 42 42 A c - 0 0 70 -2,-0.2 -1,-0.1 11,-0.1 11,-0.1 -0.669 47.4-164.7-148.4 84.3 21.9 29.9 -23.0 43 43 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.208 26.8-104.5 -71.3 158.2 21.4 26.9 -25.4 44 44 A K - 0 0 201 1,-0.0 2,-0.3 -2,-0.0 -2,-0.0 -0.655 46.0-154.4 -79.1 138.7 22.9 23.4 -25.2 45 45 A V - 0 0 35 -2,-0.3 3,-0.1 4,-0.1 6,-0.1 -0.822 19.7 -98.8-119.8 160.5 25.5 23.2 -27.9 46 46 A K > - 0 0 161 -2,-0.3 3,-1.3 1,-0.1 -1,-0.0 -0.494 56.5 -93.1 -70.8 139.4 27.2 20.4 -29.9 47 47 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.229 111.3 39.1 -55.0 143.3 30.5 19.4 -28.4 48 48 A G T 3 S+ 0 0 79 1,-0.4 2,-0.3 -3,-0.1 -2,-0.1 0.381 89.2 115.2 97.4 -4.1 33.5 21.2 -29.9 49 49 A V < - 0 0 35 -3,-1.3 -1,-0.4 -21,-0.1 2,-0.4 -0.753 65.7-124.4 -99.8 146.1 31.7 24.6 -30.2 50 50 A N E -C 27 0B 84 -23,-2.6 -23,-2.1 -2,-0.3 2,-0.4 -0.733 33.6-176.1 -88.5 138.8 32.8 27.7 -28.2 51 51 A L E -C 26 0B 62 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.2 -0.998 18.7-174.4-142.5 137.1 30.1 29.2 -26.0 52 52 A N E -C 25 0B 68 -27,-2.5 -27,-2.0 -2,-0.4 2,-0.5 -0.997 4.7-175.4-128.9 123.0 29.7 32.2 -23.8 53 53 A c E +C 24 0B 38 -2,-0.4 2,-0.2 -29,-0.2 -29,-0.2 -0.987 15.7 175.0-118.5 119.9 26.6 32.7 -21.8 54 54 A d E -C 23 0B 21 -31,-2.1 -31,-2.1 -2,-0.5 -13,-0.1 -0.741 30.2-140.2-122.8 173.1 26.5 36.0 -19.9 55 55 A T + 0 0 98 -2,-0.2 2,-0.3 -33,-0.2 -31,-0.0 0.226 66.7 77.7-122.4 16.4 24.0 37.9 -17.8 56 56 A T S > S- 0 0 86 1,-0.1 3,-1.9 -33,-0.1 4,-0.2 -0.897 87.9 -73.0-128.8 157.7 24.2 41.6 -18.6 57 57 A D T 3 S- 0 0 81 -2,-0.3 -54,-0.2 1,-0.3 -2,-0.1 -0.148 112.9 -7.8 -48.8 129.8 23.0 44.0 -21.3 58 58 A R T > S+ 0 0 126 -56,-2.9 3,-0.7 1,-0.1 -1,-0.3 0.741 89.0 138.9 53.6 29.8 24.9 43.6 -24.6 59 59 A d T < + 0 0 35 -3,-1.9 -2,-0.1 -57,-0.4 -1,-0.1 0.623 58.0 64.9 -77.8 -12.1 27.4 41.3 -23.0 60 60 A N T 3 0 0 0 -4,-0.2 -1,-0.2 -36,-0.1 -2,-0.1 -0.054 360.0 360.0-103.6 31.7 27.5 38.9 -26.0 61 61 A N < 0 0 92 -3,-0.7 -36,-0.0 -36,-0.1 -58,-0.0 -0.494 360.0 360.0 -74.3 360.0 29.0 41.1 -28.7