==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 03-JUN-97 2CHB . COMPND 2 MOLECULE: CHOLERA TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR E.A.MERRITT,W.G.J.HOL . 515 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 33.0 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 . 5 1.0 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-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 0.2 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 . 28 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 5 0 0 0 0 0 0 0 0 0 0 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 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 0 10 5 5 5 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 . 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 1 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 D T 0 0 95 0, 0.0 7,-0.0 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 133.8 -24.1 33.7 3.4 2 2 D P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.159 360.0-160.6 -52.6 152.2 -24.6 31.6 6.6 3 3 D Q S S+ 0 0 79 1,-0.2 2,-0.3 140,-0.0 149,-0.1 0.532 72.2 7.1-110.1 -17.8 -26.4 33.1 9.5 4 4 D N S > S- 0 0 64 1,-0.1 4,-1.8 147,-0.0 -1,-0.2 -0.948 83.6 -90.3-156.0 174.2 -25.1 30.6 12.2 5 5 D I H > S+ 0 0 4 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.888 117.6 56.1 -60.4 -42.1 -22.6 27.8 12.8 6 6 D T H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 110.3 43.1 -60.0 -45.9 -25.1 25.0 11.9 7 7 D D H 4 S+ 0 0 84 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.884 114.8 50.9 -68.2 -37.1 -25.9 26.4 8.4 8 8 D L H >< S+ 0 0 1 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.934 110.7 49.3 -63.5 -45.5 -22.2 27.1 7.8 9 9 D a H >< S+ 0 0 4 -4,-3.0 3,-2.0 1,-0.3 -2,-0.2 0.891 102.6 61.5 -60.4 -41.1 -21.3 23.6 8.9 10 10 D A T 3< S+ 0 0 84 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.624 92.1 68.5 -62.7 -13.6 -24.0 22.1 6.5 11 11 D E T < S+ 0 0 92 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.3 0.539 92.0 79.1 -83.5 -5.5 -22.1 23.7 3.5 12 12 D Y S X S- 0 0 49 -3,-2.0 3,-0.7 -4,-0.2 2,-0.3 -0.789 77.0-122.5-114.5 152.1 -19.2 21.3 4.0 13 13 D H T 3 S+ 0 0 163 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.675 95.7 10.5 -80.9 135.9 -18.5 17.7 3.1 14 14 D N T 3 S+ 0 0 89 -2,-0.3 75,-3.1 1,-0.2 76,-0.4 0.701 96.4 136.9 70.1 22.4 -17.6 15.4 6.0 15 15 D T E < -A 88 0A 27 -3,-0.7 2,-0.3 73,-0.3 73,-0.2 -0.515 28.9-178.5 -98.6 166.8 -18.6 17.9 8.7 16 16 D Q E -A 87 0A 74 71,-1.7 71,-3.6 -2,-0.2 2,-0.4 -0.969 21.0-127.6-161.5 148.3 -20.5 17.4 11.9 17 17 D I E -A 86 0A 50 -2,-0.3 2,-0.4 69,-0.2 69,-0.2 -0.879 17.0-169.3-107.0 135.6 -21.8 19.6 14.8 18 18 D H E -A 85 0A 55 67,-2.1 67,-1.8 -2,-0.4 2,-0.6 -0.989 11.5-149.7-121.8 130.7 -21.1 18.8 18.5 19 19 D T E +A 84 0A 77 -2,-0.4 65,-0.2 65,-0.2 64,-0.1 -0.897 28.6 157.5-102.0 122.5 -23.0 20.8 21.2 20 20 D L E - 0 0 26 63,-2.8 63,-0.2 -2,-0.6 -1,-0.2 0.802 20.8-170.7-111.1 -49.8 -21.0 21.1 24.3 21 21 D N E + 0 0 85 62,-1.2 2,-0.3 61,-1.2 62,-0.2 0.912 58.3 104.2 55.3 41.1 -22.3 24.1 26.3 22 22 D D E S-A 82 0A 52 60,-1.3 60,-2.7 61,-0.1 -1,-0.2 -0.957 75.4-103.4-147.8 160.3 -19.2 23.6 28.5 23 23 D K E -A 81 0A 51 -2,-0.3 20,-0.4 58,-0.3 2,-0.2 -0.427 50.0 -86.9 -82.5 161.3 -15.8 25.3 29.0 24 24 D I - 0 0 2 56,-0.6 18,-0.2 1,-0.1 3,-0.1 -0.496 33.2-165.3 -69.2 133.8 -12.6 23.8 27.6 25 25 D F S S+ 0 0 67 16,-2.7 494,-1.6 1,-0.3 2,-0.3 0.825 70.8 17.5 -88.9 -38.7 -11.0 21.4 30.0 26 26 D S E -BC 41 518A 11 15,-1.8 15,-1.8 492,-0.2 2,-0.4 -0.997 56.0-166.3-142.6 140.0 -7.6 21.2 28.4 27 27 D Y E +BC 40 517A 0 490,-1.9 490,-2.4 -2,-0.3 2,-0.4 -0.983 14.0 179.5-123.2 128.2 -5.6 23.3 25.9 28 28 D T E -BC 39 516A 13 11,-2.2 11,-2.6 -2,-0.4 2,-0.4 -0.992 1.8-178.4-131.7 134.9 -2.5 21.8 24.3 29 29 D E E -BC 38 515A 3 486,-2.2 486,-2.4 -2,-0.4 2,-0.4 -0.996 6.4-161.5-138.0 144.5 -0.1 23.4 21.8 30 30 D S E - C 0 514A 6 7,-2.5 7,-0.4 -2,-0.4 484,-0.2 -0.972 23.2-178.5-128.3 139.6 3.0 22.3 20.0 31 31 D L + 0 0 5 482,-2.8 5,-0.2 -2,-0.4 483,-0.2 0.292 48.8 132.1-110.0 3.6 5.8 24.0 18.2 32 32 D A S > S- 0 0 1 481,-0.7 3,-2.3 3,-0.4 -2,-0.1 -0.327 71.8 -92.8 -61.0 133.0 7.3 20.6 17.3 33 33 D G T 3 S+ 0 0 10 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.271 109.3 7.2 -54.6 128.7 8.2 20.4 13.6 34 34 D K T 3 S+ 0 0 119 -3,-0.1 -1,-0.3 440,-0.0 18,-0.1 0.463 122.9 73.6 75.9 5.0 5.5 18.9 11.4 35 35 D R < + 0 0 48 -3,-2.3 2,-1.6 2,-0.1 -3,-0.4 -0.252 51.8 148.9-140.2 44.2 3.2 19.0 14.4 36 36 D E + 0 0 9 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.694 40.4 117.0 -83.7 88.4 2.4 22.7 14.8 37 37 D M - 0 0 6 -2,-1.6 -7,-2.5 -7,-0.4 2,-0.3 -0.851 57.4-130.5-145.8 176.9 -1.0 22.2 16.2 38 38 D A E -BD 29 50A 1 12,-1.0 12,-1.8 -2,-0.3 2,-0.4 -0.975 17.1-161.9-135.7 143.4 -3.3 22.8 19.2 39 39 D I E -BD 28 49A 3 -11,-2.6 -11,-2.2 -2,-0.3 2,-0.3 -0.999 5.6-171.3-131.8 131.3 -5.5 20.2 20.9 40 40 D I E -BD 27 48A 0 8,-2.3 8,-2.5 -2,-0.4 2,-0.3 -0.922 0.8-170.5-122.1 148.3 -8.5 20.8 23.2 41 41 D T E -BD 26 47A 30 -15,-1.8 -16,-2.7 -2,-0.3 -15,-1.8 -0.917 9.2-148.2-132.2 161.2 -10.5 18.5 25.3 42 42 D F > - 0 0 3 4,-1.7 3,-2.3 -2,-0.3 -18,-0.1 -0.806 38.5 -97.2-120.8 165.7 -13.7 18.8 27.4 43 43 D K T 3 S+ 0 0 141 -20,-0.4 -19,-0.1 1,-0.3 -1,-0.0 0.823 120.2 64.3 -54.2 -32.0 -14.8 16.9 30.5 44 44 D N T 3 S- 0 0 121 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.450 120.8-106.3 -72.9 1.4 -16.8 14.4 28.5 45 45 D G < + 0 0 51 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 0.316 68.4 151.8 92.3 -10.6 -13.5 13.2 26.9 46 46 D A - 0 0 22 -5,-0.1 -4,-1.7 1,-0.0 2,-0.4 -0.330 26.2-164.3 -57.6 134.2 -14.2 14.8 23.6 47 47 D T E +D 41 0A 29 -6,-0.2 47,-0.8 -3,-0.1 2,-0.3 -0.982 11.0 175.1-127.5 130.8 -10.9 15.7 21.8 48 48 D F E -De 40 94A 3 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.3 -0.953 11.0-154.5-134.0 155.4 -10.6 18.1 18.9 49 49 D Q E -De 39 95A 10 45,-2.5 47,-3.2 -2,-0.3 2,-0.6 -0.837 19.9-136.5-127.4 162.8 -7.7 19.5 17.0 50 50 D V E -D 38 0A 1 -12,-1.8 -12,-1.0 -2,-0.3 47,-0.1 -0.999 48.5-120.8-113.8 112.4 -6.8 22.5 14.9 51 51 D E - 0 0 24 -2,-0.6 3,-0.1 45,-0.3 -16,-0.1 -0.142 19.7 -98.7 -57.4 157.2 -4.9 20.8 12.1 52 52 D V - 0 0 27 -18,-0.1 -15,-0.1 1,-0.1 -1,-0.1 -0.454 52.7-101.8 -70.3 140.1 -1.4 21.5 11.1 53 53 D P + 0 0 50 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.474 68.2 114.2 -66.6 147.3 -1.5 23.9 8.1 54 54 D G S > S- 0 0 31 -2,-0.1 3,-1.6 4,-0.1 -3,-0.0 -0.922 70.8 -29.5-176.9-158.3 -1.0 22.2 4.7 55 55 D S T 3 S+ 0 0 125 1,-0.3 -1,-0.0 -2,-0.3 0, 0.0 0.865 119.9 63.5 -50.5 -46.3 -2.2 21.1 1.2 56 56 D Q T 3 S+ 0 0 85 2,-0.0 2,-0.4 -3,-0.0 -1,-0.3 0.247 95.5 82.5 -66.4 14.6 -5.8 20.8 2.4 57 57 D H < - 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