==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 01-MAR-99 1CB9 . COMPND 2 MOLECULE: PROTEIN (CYTOTOXIN 2); . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA OXIANA; . AUTHOR D.V.DEMENTIEVA,E.V.BOCHAROV,A.S.ARSENIEV . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 56.7 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 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 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 1.7 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 . 1 1.7 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 . 6 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.3 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 0 2 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 L 0 0 81 0, 0.0 13,-1.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 105.5 3.1 13.3 -4.6 2 2 A K E +A 13 0A 115 11,-0.2 56,-1.6 9,-0.0 11,-0.2 -0.979 360.0 164.1-122.2 123.7 2.3 10.4 -6.8 3 3 A a E -A 12 0A 3 9,-2.0 9,-1.8 -2,-0.5 2,-0.2 -0.682 39.6 -87.1-126.2 179.6 1.6 6.9 -5.5 4 4 A K E -A 11 0A 53 -2,-0.2 7,-0.2 7,-0.2 56,-0.1 -0.628 37.5-136.0 -91.7 150.6 0.1 3.7 -6.7 5 5 A K - 0 0 86 5,-2.2 32,-0.2 2,-0.7 -1,-0.1 -0.134 47.8 -69.7 -90.8-169.8 -3.6 2.9 -6.4 6 6 A L S S+ 0 0 99 30,-0.2 31,-0.1 29,-0.1 -2,-0.1 0.851 126.8 59.0 -49.9 -37.5 -5.3 -0.3 -5.4 7 7 A V S > S- 0 0 77 3,-0.1 2,-2.7 29,-0.1 3,-0.9 -0.847 88.1-132.4-100.4 129.6 -4.1 -1.7 -8.6 8 8 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.289 99.7 59.3 -74.9 55.3 -0.3 -1.8 -9.3 9 9 A L T 3 S+ 0 0 140 -2,-2.7 2,-0.4 1,-0.4 -3,-0.0 0.419 92.6 59.6-145.0 -45.6 -0.9 -0.3 -12.7 10 10 A F < - 0 0 156 -3,-0.9 -5,-2.2 2,-0.0 -1,-0.4 -0.804 64.0-162.8 -99.7 136.7 -2.6 3.0 -12.3 11 11 A S E -A 4 0A 69 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.888 5.4-172.6-118.9 149.3 -1.1 5.9 -10.3 12 12 A K E -A 3 0A 132 -9,-1.8 -9,-2.0 -2,-0.3 2,-0.6 -0.982 23.5-122.2-140.5 149.9 -2.7 9.0 -8.9 13 13 A T E -A 2 0A 80 -2,-0.3 -11,-0.2 -11,-0.2 25,-0.1 -0.833 34.3-112.6 -97.2 123.7 -1.4 12.1 -7.3 14 14 A b - 0 0 10 -13,-1.4 3,-0.1 -2,-0.6 -1,-0.0 -0.344 38.9-137.7 -55.3 119.1 -2.8 12.9 -3.8 15 15 A P > - 0 0 90 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.180 44.2 -51.7 -75.0 171.8 -4.9 16.0 -4.2 16 16 A A T 3 S+ 0 0 106 1,-0.2 3,-0.1 3,-0.1 0, 0.0 -0.139 128.9 35.2 -44.9 131.5 -5.0 18.9 -1.8 17 17 A G T 3 S+ 0 0 48 -3,-0.1 2,-0.5 23,-0.1 -1,-0.2 -0.270 107.2 70.9 114.9 -43.7 -5.6 17.6 1.7 18 18 A K < + 0 0 96 -3,-2.3 22,-0.3 1,-0.1 23,-0.0 -0.936 39.7 154.5-111.9 126.4 -3.6 14.4 1.4 19 19 A N + 0 0 92 20,-0.5 2,-0.3 -2,-0.5 21,-0.2 0.102 57.6 76.8-132.8 16.6 0.1 14.5 1.2 20 20 A L E S-B 39 0B 49 19,-1.9 19,-1.9 35,-0.1 2,-0.5 -0.854 70.7-129.5-127.2 162.4 0.8 11.0 2.5 21 21 A a E -BC 38 54B 0 33,-1.9 33,-1.4 -2,-0.3 2,-0.3 -0.962 20.4-160.4-117.3 128.3 0.6 7.5 1.1 22 22 A Y E -BC 37 53B 49 15,-2.2 15,-1.9 -2,-0.5 2,-0.4 -0.840 6.2-172.3-109.8 145.7 -1.3 4.8 3.0 23 23 A K E -BC 36 52B 45 29,-1.2 29,-1.5 -2,-0.3 2,-0.5 -0.997 9.3-153.5-139.8 131.9 -0.9 1.0 2.5 24 24 A M E +BC 35 51B 30 11,-1.5 11,-1.6 -2,-0.4 10,-1.6 -0.915 28.8 146.3-109.8 128.8 -3.0 -1.8 4.0 25 25 A F E -BC 33 50B 27 25,-1.7 25,-1.9 -2,-0.5 2,-0.4 -0.927 48.2 -87.0-150.2 171.6 -1.6 -5.2 4.6 26 26 A M E > - C 0 49B 95 6,-0.6 2,-3.3 3,-0.4 3,-1.5 -0.718 39.3-116.8 -89.4 133.2 -1.7 -8.2 6.9 27 27 A V T 3 S+ 0 0 74 21,-1.9 -1,-0.1 -2,-0.4 22,-0.1 -0.373 108.3 52.3 -66.9 72.0 0.6 -8.3 9.9 28 28 A A T 3 S+ 0 0 93 -2,-3.3 -1,-0.2 4,-0.1 3,-0.1 0.177 105.6 43.2-169.4 -42.1 2.4 -11.3 8.6 29 29 A A X + 0 0 33 -3,-1.5 3,-1.1 3,-0.2 -3,-0.4 -0.888 50.4 173.3-127.1 99.0 3.5 -10.6 5.0 30 30 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.689 85.0 58.5 -75.0 -19.8 5.0 -7.1 4.5 31 31 A H T 3 S+ 0 0 174 1,-0.2 -2,-0.0 -3,-0.1 -6,-0.0 0.200 95.9 74.2 -92.5 13.9 5.9 -8.1 1.0 32 32 A V < - 0 0 73 -3,-1.1 -6,-0.6 -6,-0.2 -3,-0.2 -0.819 69.2-170.3-131.9 91.6 2.3 -8.8 0.3 33 33 A P E -B 25 0B 57 0, 0.0 -8,-0.2 0, 0.0 3,-0.1 -0.202 13.2-176.3 -75.0 169.9 0.2 -5.6 -0.0 34 34 A V E + 0 0 57 -10,-1.6 2,-0.3 1,-0.6 -9,-0.2 0.563 64.8 11.6-130.2 -58.5 -3.6 -5.5 -0.2 35 35 A K E -B 24 0B 87 -11,-1.6 -11,-1.5 -28,-0.0 -1,-0.6 -0.864 57.3-168.5-126.9 160.8 -4.8 -2.0 -0.8 36 36 A R E +B 23 0B 24 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.944 23.8 125.9-154.3 128.4 -3.1 1.3 -1.7 37 37 A G E -B 22 0B 5 -15,-1.9 -15,-2.2 -2,-0.3 2,-0.2 -0.909 50.8 -80.6-162.2-174.3 -4.4 4.8 -1.7 38 38 A b E +B 21 0B 25 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.592 40.9 173.8 -99.8 163.6 -3.7 8.4 -0.5 39 39 A I E -B 20 0B 38 -19,-1.9 -19,-1.9 -2,-0.2 -20,-0.5 -0.972 29.3-150.8-161.9 164.5 -4.5 9.8 2.9 40 40 A D S S+ 0 0 94 1,-0.3 2,-0.5 -2,-0.3 -21,-0.2 0.807 86.5 36.2-105.9 -59.7 -4.0 12.9 5.0 41 41 A V S S- 0 0 106 -21,-0.1 -1,-0.3 -23,-0.0 -23,-0.0 -0.883 85.7-122.6-103.5 126.0 -3.9 11.8 8.6 42 42 A c - 0 0 63 -2,-0.5 10,-0.0 -3,-0.1 11,-0.0 -0.531 32.4-143.5 -68.7 119.8 -2.2 8.5 9.3 43 43 A P - 0 0 57 0, 0.0 2,-0.2 0, 0.0 10,-0.1 -0.065 23.5 -86.8 -74.9-179.3 -4.8 6.2 11.0 44 44 A K - 0 0 192 1,-0.1 2,-0.2 6,-0.0 0, 0.0 -0.530 38.4-125.7 -89.7 158.2 -4.2 3.8 13.8 45 45 A S - 0 0 51 -2,-0.2 5,-0.2 5,-0.1 2,-0.2 -0.650 18.4-148.5-102.4 160.4 -3.1 0.2 13.2 46 46 A S - 0 0 46 3,-1.7 5,-0.0 -2,-0.2 -1,-0.0 -0.530 30.9-105.1-116.6-176.2 -4.7 -3.0 14.6 47 47 A L S S+ 0 0 172 -2,-0.2 3,-0.1 3,-0.0 -20,-0.1 0.611 119.9 36.9 -85.2 -14.8 -3.6 -6.5 15.6 48 48 A L S S+ 0 0 122 1,-0.2 -21,-1.9 -22,-0.1 2,-0.2 0.869 123.4 25.7 -97.7 -70.0 -5.0 -7.8 12.4 49 49 A V E -C 26 0B 30 -23,-0.2 -3,-1.7 -22,-0.1 2,-0.4 -0.522 68.0-152.5 -94.7 164.3 -4.4 -5.3 9.7 50 50 A K E -C 25 0B 76 -25,-1.9 -25,-1.7 -5,-0.2 2,-0.7 -0.991 4.8-157.1-142.5 130.0 -1.7 -2.6 9.6 51 51 A Y E -C 24 0B 73 -2,-0.4 2,-0.4 -27,-0.2 -27,-0.2 -0.868 14.0-170.0-111.5 98.4 -1.7 0.7 7.8 52 52 A V E -C 23 0B 65 -29,-1.5 -29,-1.2 -2,-0.7 2,-0.3 -0.743 4.8-162.6 -90.2 131.7 1.8 2.0 7.2 53 53 A c E +C 22 0B 33 -2,-0.4 2,-0.3 -31,-0.2 -31,-0.2 -0.854 9.2 179.6-114.2 149.8 2.2 5.6 6.0 54 54 A d E -C 21 0B 25 -33,-1.4 -33,-1.9 -2,-0.3 2,-0.2 -0.988 30.3-140.4-148.3 150.3 5.2 7.2 4.3 55 55 A N S S+ 0 0 123 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.1 -0.385 70.6 101.3-107.6 51.2 6.0 10.6 3.0 56 56 A T S > S- 0 0 72 -2,-0.2 3,-0.9 -35,-0.1 4,-0.3 -0.944 78.4 -96.6-134.7 155.1 7.8 9.3 -0.1 57 57 A D T 3 S- 0 0 107 -2,-0.3 -54,-0.2 1,-0.3 -2,-0.1 -0.474 106.6 -0.3 -71.3 138.5 7.0 9.0 -3.8 58 58 A K T 3 S+ 0 0 124 -56,-1.6 -1,-0.3 -2,-0.2 -55,-0.1 0.917 89.8 139.3 46.1 52.7 5.8 5.5 -4.8 59 59 A d < 0 0 30 -3,-0.9 -2,-0.1 -5,-0.1 -1,-0.1 0.872 360.0 360.0 -89.2 -46.6 6.3 4.4 -1.2 60 60 A N 0 0 18 -4,-0.3 -3,-0.1 -6,-0.1 -57,-0.1 0.875 360.0 360.0 -84.2 360.0 3.1 2.3 -1.1