==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 04-AUG-09 2KMT . COMPND 2 MOLECULE: CCDB; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO FISCHERI; . AUTHOR K.ZANGGER . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 61.9 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 . 37 17.6 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 . 2 1.0 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 . 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 . 24 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 2 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 . 5 4 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 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 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 M 0 0 191 0, 0.0 2,-3.0 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -73.2 4.9 11.1 16.2 2 2 A S + 0 0 29 2,-0.1 2,-0.2 25,-0.1 29,-0.1 -0.366 360.0 45.8 -69.2 69.3 4.1 7.9 14.3 3 3 A Q S S+ 0 0 84 -2,-3.0 21,-0.2 27,-0.1 3,-0.1 -0.510 104.0 18.3 157.2 135.6 1.5 9.7 12.1 4 4 A F S S+ 0 0 53 19,-2.5 83,-0.4 1,-0.2 86,-0.2 0.323 82.8 131.5 74.0 -6.2 1.0 12.9 10.0 5 5 A T - 0 0 29 -4,-0.5 2,-1.4 81,-0.2 18,-0.6 -0.344 69.6-112.1 -73.7 160.9 4.8 13.6 9.8 6 6 A L E -AB 22 85A 1 79,-0.7 79,-0.8 16,-0.1 2,-0.8 -0.688 42.1-167.2 -92.6 80.4 6.4 14.4 6.5 7 7 A Y E -A 21 0A 12 -2,-1.4 14,-3.7 14,-0.9 2,-0.5 -0.651 6.9-158.3 -81.0 111.3 8.4 11.2 6.3 8 8 A K - 0 0 17 -2,-0.8 74,-1.1 12,-0.3 12,-0.4 -0.756 46.9 -81.9 -88.4 121.9 11.1 11.4 3.6 9 9 A N - 0 0 13 -2,-0.5 5,-0.4 10,-0.4 6,-0.3 0.143 61.7 -99.3 -24.7 98.6 12.3 8.0 2.4 10 10 A K S S+ 0 0 78 69,-1.4 72,-1.2 4,-0.1 2,-0.6 0.344 113.6 54.6 12.0 -82.7 14.7 7.3 5.3 11 11 A D S >> S- 0 0 86 1,-0.2 3,-2.7 70,-0.1 4,-0.6 -0.597 77.9-145.9 -74.6 117.0 17.8 8.2 3.3 12 12 A K G >4 S+ 0 0 91 -2,-0.6 3,-1.0 1,-0.3 4,-0.2 0.796 103.0 64.9 -52.3 -25.7 17.4 11.7 1.9 13 13 A S G >4 S+ 0 0 77 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.828 87.2 69.7 -65.7 -29.9 19.5 10.3 -1.0 14 14 A S G X> S+ 0 0 33 -3,-2.7 4,-4.3 -5,-0.4 3,-1.9 0.816 79.4 78.0 -54.5 -33.6 16.5 8.1 -1.6 15 15 A A G << S+ 0 0 15 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.732 71.9 79.8 -52.1 -23.2 14.7 11.2 -2.7 16 16 A K G <4 S+ 0 0 168 -3,-2.3 -1,-0.3 2,-0.3 -2,-0.2 0.941 124.9 1.4 -49.8 -46.2 16.6 10.9 -6.0 17 17 A T T <4 S+ 0 0 88 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.769 152.9 17.6-105.3 -45.2 14.0 8.3 -6.9 18 18 A Y < + 0 0 143 -4,-4.3 -2,-0.3 1,-0.1 -1,-0.3 -0.931 57.5 170.9-135.7 110.3 11.8 8.3 -3.8 19 19 A P - 0 0 2 0, 0.0 -10,-0.4 0, 0.0 2,-0.3 0.885 58.2 -12.8 -87.1 -43.0 11.9 11.2 -1.3 20 20 A Y - 0 0 1 20,-1.8 -12,-0.3 -12,-0.4 2,-0.3 -0.933 36.1-164.9-153.2-179.9 8.9 10.5 1.1 21 21 A F E -A 7 0A 7 -14,-3.7 -14,-0.9 18,-0.4 2,-0.5 -0.895 30.8-116.1-155.7 168.7 5.8 8.9 2.3 22 22 A V E -A 6 0A 0 -2,-0.3 2,-0.6 -16,-0.2 16,-0.5 -0.973 19.7-121.3-126.8 130.4 3.3 9.8 5.0 23 23 A D B +C 37 0B 0 -18,-0.6 -19,-2.5 -2,-0.5 14,-0.2 -0.497 53.4 143.1 -65.6 110.9 2.5 7.9 8.2 24 24 A V + 0 0 20 12,-1.4 2,-0.2 -2,-0.6 -21,-0.1 -0.569 43.0 39.8-156.7 87.5 -1.3 7.2 7.9 25 25 A Q S S+ 0 0 27 -2,-0.1 2,-0.7 1,-0.1 5,-0.2 -0.650 83.9 54.9 178.6-118.4 -2.7 4.0 9.1 26 26 A S - 0 0 18 3,-0.3 4,-0.4 1,-0.2 6,-0.2 -0.198 54.1-167.4 -46.3 93.2 -2.2 1.7 12.2 27 27 A D S S+ 0 0 116 -2,-0.7 3,-0.2 2,-0.2 -1,-0.2 0.876 95.0 31.4 -53.4 -32.7 -2.7 4.3 14.9 28 28 A L S S+ 0 0 148 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.926 131.4 33.5 -86.0 -56.2 -1.2 1.6 17.1 29 29 A L S S+ 0 0 69 1,-0.2 5,-0.5 2,-0.1 -3,-0.3 -0.109 85.9 123.7 -90.5 32.8 1.1 -0.1 14.6 30 30 A D S S- 0 0 22 -4,-0.4 -1,-0.2 -3,-0.2 -4,-0.2 0.984 96.4 -9.2 -60.2 -60.6 1.7 3.3 12.9 31 31 A N S S+ 0 0 43 -3,-0.3 -1,-0.2 -4,-0.2 4,-0.1 0.257 106.4 107.2-122.6 10.4 5.5 3.3 13.2 32 32 A L S S- 0 0 101 2,-0.3 -3,-0.1 -4,-0.3 3,-0.1 0.970 115.2 -26.4 -48.9 -64.2 5.9 0.3 15.5 33 33 A N S S- 0 0 86 1,-0.5 44,-3.0 -4,-0.3 45,-0.3 0.539 130.1 -18.2-125.6 -24.4 7.3 -1.8 12.8 34 34 A T - 0 0 21 -5,-0.5 -1,-0.5 42,-0.3 -2,-0.3 -0.972 55.5-144.0-171.0 174.3 5.8 -0.2 9.7 35 35 A R - 0 0 0 -2,-0.3 40,-1.2 -4,-0.1 2,-0.8 -0.995 27.9-105.6-152.1 156.9 3.0 2.1 8.4 36 36 A L E - D 0 74B 1 -2,-0.3 -12,-1.4 38,-0.2 2,-0.3 -0.738 51.8-179.8 -85.2 110.3 0.7 2.6 5.4 37 37 A V E -CD 23 73B 0 -2,-0.8 36,-1.3 36,-0.6 -14,-0.2 -0.854 37.2-139.7-117.6 156.3 2.1 5.5 3.5 38 38 A I - 0 0 0 -16,-0.5 2,-0.2 -2,-0.3 31,-0.2 -0.866 38.0-131.1-108.4 90.6 1.3 7.5 0.4 39 39 A P - 0 0 13 0, 0.0 29,-2.9 0, 0.0 -18,-0.4 -0.263 21.5-151.2 -51.6 110.7 4.8 7.9 -1.0 40 40 A L E +H 67 0C 1 27,-0.3 -20,-1.8 -33,-0.3 27,-0.2 -0.432 20.1 175.0 -80.2 156.1 5.3 11.6 -1.9 41 41 A T E -H 66 0C 11 25,-0.6 25,-2.4 -22,-0.2 2,-0.5 -0.985 37.6 -75.4-159.1 164.0 7.7 12.6 -4.6 42 42 A P >> - 0 0 16 0, 0.0 4,-1.2 0, 0.0 3,-0.7 -0.539 28.1-149.4 -72.4 116.5 9.0 15.6 -6.7 43 43 A I T 34 S+ 0 0 26 -2,-0.5 22,-0.1 21,-0.5 6,-0.1 0.735 97.5 61.3 -52.5 -26.1 6.5 16.8 -9.2 44 44 A E T >4 S+ 0 0 116 20,-0.3 3,-1.8 1,-0.2 4,-0.3 0.916 98.4 51.9 -70.5 -46.0 9.5 17.7 -11.3 45 45 A L T <4 S+ 0 0 87 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 116.3 43.3 -62.9 -24.7 10.9 14.2 -11.6 46 46 A L T 3< S- 0 0 89 -4,-1.2 -1,-0.3 1,-0.1 -2,-0.2 -0.016 132.4 -83.5-110.0 28.1 7.5 13.1 -12.9 47 47 A D < - 0 0 97 -3,-1.8 -2,-0.1 1,-0.1 3,-0.1 0.748 25.8-126.1 71.8 118.1 6.9 16.1 -15.2 48 48 A K S S+ 0 0 155 -4,-0.3 2,-1.3 1,-0.2 -1,-0.1 0.660 100.9 81.7 -65.2 -17.0 5.6 19.3 -13.8 49 49 A K + 0 0 187 -5,-0.1 -1,-0.2 -6,-0.1 -5,-0.0 -0.352 65.9 147.0 -87.5 54.4 2.9 19.0 -16.5 50 50 A A - 0 0 58 -2,-1.3 -3,-0.1 -3,-0.1 -7,-0.0 -0.702 44.5-121.6 -94.3 144.4 0.8 16.6 -14.4 51 51 A P - 0 0 100 0, 0.0 2,-0.6 0, 0.0 3,-0.2 -0.185 23.5-110.8 -76.2 172.1 -3.1 16.5 -14.5 52 52 A S S S+ 0 0 127 1,-0.1 3,-0.1 4,-0.0 0, 0.0 -0.929 81.3 78.4-112.2 118.0 -5.4 17.0 -11.5 53 53 A H S S+ 0 0 127 -2,-0.6 2,-0.3 1,-0.4 -1,-0.1 0.090 90.7 23.8-177.7 -46.7 -7.4 14.1 -10.3 54 54 A L S S+ 0 0 23 1,-0.2 -1,-0.4 -3,-0.2 43,-0.1 -0.924 98.8 38.3-136.8 161.0 -5.3 11.8 -8.1 55 55 A C S S- 0 0 30 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.963 75.9-134.2 62.6 89.7 -2.1 12.1 -6.0 56 56 A P - 0 0 36 0, 0.0 11,-3.6 0, 0.0 2,-0.2 -0.362 14.9-132.6 -74.4 154.2 -2.3 15.5 -4.3 57 57 A T E -I 66 0C 34 9,-0.3 2,-0.3 -2,-0.1 9,-0.2 -0.650 17.1-159.8-104.5 163.8 0.7 17.9 -4.1 58 58 A I E -I 65 0C 0 7,-1.0 7,-0.9 -2,-0.2 2,-0.4 -0.804 21.6-131.3-132.1 177.8 2.2 19.8 -1.3 59 59 A H E +I 64 0C 127 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.763 46.2 154.9-132.8 82.7 4.4 22.7 -0.6 60 60 A I E > -I 63 0C 17 3,-3.1 3,-2.7 -2,-0.4 27,-0.1 -0.389 61.3 -80.8-102.5-179.5 7.0 21.5 1.9 61 61 A D T 3 S+ 0 0 115 1,-0.3 3,-0.1 -2,-0.1 24,-0.0 0.884 132.3 49.3 -48.8 -45.7 10.6 22.6 2.7 62 62 A E T 3 S- 0 0 105 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.497 122.1-113.2 -74.5 -2.0 12.0 20.8 -0.3 63 63 A G E < - I 0 60C 25 -3,-2.7 -3,-3.1 -21,-0.0 2,-0.3 -0.845 63.4 -7.9 110.5-146.2 9.3 22.4 -2.4 64 64 A D E + I 0 59C 82 -2,-0.4 -21,-0.5 -5,-0.3 -20,-0.3 -0.649 64.1 159.4 -93.8 149.4 6.3 20.9 -4.1 65 65 A F E - I 0 58C 16 -7,-0.9 -7,-1.0 -2,-0.3 2,-0.4 -0.815 30.2-113.9-151.0-173.6 5.8 17.1 -4.4 66 66 A I E -HI 41 57C 16 -25,-2.4 -25,-0.6 -9,-0.2 2,-0.6 -0.969 20.2-120.4-144.3 130.0 3.0 14.6 -5.1 67 67 A M E -H 40 0C 0 -11,-3.6 2,-2.1 -2,-0.4 -27,-0.3 -0.475 25.7-144.4 -64.0 111.2 1.4 11.9 -3.0 68 68 A L >> + 0 0 27 -29,-2.9 4,-1.4 -2,-0.6 3,-0.8 -0.515 42.8 150.3 -81.3 77.2 2.0 8.7 -4.9 69 69 A T T 34 + 0 0 0 -2,-2.1 -1,-0.2 1,-0.2 -29,-0.1 0.641 58.2 78.2 -81.2 -16.1 -1.3 7.0 -4.1 70 70 A Q T 34 S+ 0 0 91 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.611 112.5 20.5 -68.3 -10.9 -1.2 5.1 -7.4 71 71 A Q T <4 S+ 0 0 49 -3,-0.8 109,-2.2 -32,-0.1 -2,-0.2 0.677 82.6 177.8-119.0 -65.7 1.3 2.8 -5.7 72 72 A M < + 0 0 1 -4,-1.4 108,-1.4 107,-0.2 2,-0.3 0.642 6.8 170.3 60.9 132.2 1.1 2.9 -1.9 73 73 A T E -DE 37 179B 45 -36,-1.3 -36,-0.6 106,-0.2 2,-0.3 -0.898 38.7 -99.7-172.0 141.7 3.3 0.7 0.2 74 74 A S E -D 36 0B 3 103,-0.7 -38,-0.2 104,-0.7 104,-0.1 -0.501 30.0-149.5 -70.8 129.3 4.3 0.2 3.8 75 75 A V - 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0 0 135 -2,-0.2 2,-0.3 -81,-0.2 3,-0.2 -0.913 10.1-165.2-160.7 129.1 6.5 17.7 8.7 87 87 A L + 0 0 3 -83,-0.4 3,-0.3 -2,-0.3 -80,-0.1 -0.485 36.1 138.8-120.3 66.6 3.3 18.4 6.7 88 88 A S S > S+ 0 0 50 -2,-0.3 3,-3.6 1,-0.2 4,-0.3 0.864 71.4 64.0 -71.2 -38.5 0.5 18.4 9.2 89 89 A T T 3 S+ 0 0 116 1,-0.3 3,-0.4 -3,-0.2 -1,-0.2 0.804 103.8 50.4 -56.7 -25.2 -1.1 21.4 7.5 90 90 A F T >> S+ 0 0 26 -3,-0.3 4,-1.7 1,-0.2 3,-0.6 0.265 76.0 120.0 -93.5 9.1 -1.4 18.9 4.7 91 91 A R H <> S+ 0 0 129 -3,-3.6 4,-1.7 1,-0.3 -1,-0.2 0.837 73.3 52.8 -41.7 -43.6 -3.0 16.4 7.1 92 92 A N H 3> S+ 0 0 82 -3,-0.4 4,-2.9 -4,-0.3 5,-0.5 0.945 101.5 59.3 -61.5 -46.0 -6.1 16.3 5.0 93 93 A E H <> S+ 0 0 31 -3,-0.6 4,-2.5 1,-0.3 5,-0.3 0.907 105.5 50.0 -44.9 -47.8 -4.0 15.5 1.9 94 94 A I H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.899 120.4 36.3 -58.8 -42.1 -2.9 12.5 3.7 95 95 A I H X S+ 0 0 69 -4,-1.7 4,-4.7 -3,-0.3 5,-0.4 0.989 115.9 49.0 -74.7 -68.7 -6.5 11.7 4.5 96 96 A A H X S+ 0 0 40 -4,-2.9 4,-2.5 2,-0.2 5,-0.5 0.876 111.9 54.3 -37.7 -49.9 -8.3 12.8 1.2 97 97 A A H >X>S+ 0 0 7 -4,-2.5 4,-4.0 -5,-0.5 3,-1.2 0.963 118.6 32.2 -45.0 -70.4 -5.6 10.8 -0.6 98 98 A I H 3X>S+ 0 0 16 -4,-1.5 4,-3.7 -5,-0.3 5,-1.1 0.924 117.7 56.9 -49.3 -55.9 -6.4 7.7 1.3 99 99 A D H 3<>S+ 0 0 56 -4,-4.7 6,-3.2 3,-0.2 5,-0.8 0.701 122.5 25.5 -54.0 -25.7 -10.0 8.7 1.6 100 100 A F H <<5S+ 0 0 76 -4,-2.5 -2,-0.2 -3,-1.2 -1,-0.2 0.801 128.2 42.7-103.9 -50.8 -10.4 8.9 -2.2 101 101 A L H <5S+ 0 0 3 -4,-4.0 -3,-0.2 -5,-0.5 -2,-0.2 0.847 130.3 28.8 -63.1 -40.4 -7.6 6.6 -3.3 102 102 A I T < S- 0 0 95 68,-0.2 3,-3.1 1,-0.1 4,-0.4 -0.877 81.1-159.2-122.0 91.5 6.1 -15.2 -11.9 118 12 B K G > S+ 0 0 115 -2,-0.5 3,-1.2 1,-0.3 4,-0.2 0.665 86.3 79.9 -46.5 -16.3 5.0 -18.0 -9.5 119 13 B S G > S+ 0 0 85 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.866 80.7 65.8 -60.8 -34.2 8.7 -18.2 -8.6 120 14 B S G X> S+ 0 0 38 -3,-3.1 4,-4.0 1,-0.3 3,-1.9 0.788 79.5 82.1 -54.8 -32.1 8.2 -15.2 -6.3 121 15 B A G <4 + 0 0 18 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.733 69.8 79.1 -50.6 -23.5 6.0 -17.4 -4.3 122 16 B K G <4 S+ 0 0 170 -3,-2.1 -1,-0.3 2,-0.3 -2,-0.2 0.943 125.7 0.6 -50.0 -46.4 9.1 -18.7 -2.5 123 17 B T T <4 S+ 0 0 93 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.771 152.4 21.0-105.5 -46.3 9.0 -15.4 -0.6 124 18 B Y < + 0 0 110 -4,-4.0 -2,-0.3 1,-0.1 -1,-0.3 -0.923 58.9 165.6-131.7 106.7 5.8 -13.8 -2.0 125 19 B P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -4,-0.3 0.864 59.4 0.1 -89.0 -41.1 3.2 -15.9 -3.8 126 20 B Y - 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