==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 03-NOV-09 2KQA . COMPND 2 MOLECULE: CERATO-PLATANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CERATOCYSTIS PLATANI; . AUTHOR A.L.OLIVEIRA,M.GALLO,L.PAZZAGLI,G.CAPPUGI,A.SCALA,D.O.CICERO . 120 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 15.8 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 . 1 0.8 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 0.8 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 . 7 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 2 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 V 0 0 76 0, 0.0 104,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.3 90.6 -3.6 12.4 2 2 A S - 0 0 22 79,-0.4 81,-0.9 101,-0.2 2,-0.3 -0.886 360.0-158.8-111.3 139.9 92.6 -6.1 10.4 3 3 A I E +aB 83 102A 9 99,-1.6 99,-1.5 -2,-0.4 2,-0.2 -0.888 16.4 161.6-118.1 150.0 94.2 -5.3 7.0 4 4 A S E -a 84 0A 29 79,-2.1 81,-2.2 -2,-0.3 2,-0.3 -0.780 28.2-118.3-146.2-169.6 95.3 -7.6 4.1 5 5 A Y E -a 85 0A 71 79,-0.3 81,-0.2 -2,-0.2 39,-0.1 -0.995 13.5-154.2-141.6 148.1 96.2 -7.3 0.4 6 6 A D - 0 0 53 79,-1.2 3,-0.4 -2,-0.3 -2,-0.0 -0.955 16.5-142.3-124.5 143.5 94.7 -8.9 -2.8 7 7 A P S S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.579 91.9 75.9 -77.7 -9.9 96.5 -9.6 -6.1 8 8 A I S S+ 0 0 84 1,-0.2 2,-3.3 3,-0.0 5,-0.1 0.908 74.7 77.5 -70.0 -40.0 93.4 -8.6 -8.2 9 9 A Y + 0 0 16 -3,-0.4 -1,-0.2 76,-0.1 2,-0.2 -0.268 69.4 137.3 -72.1 67.5 93.7 -4.8 -7.7 10 10 A A S > S- 0 0 51 -2,-3.3 3,-1.7 -3,-0.1 24,-0.2 -0.519 71.9 -92.7-104.6 170.0 96.5 -4.6 -10.3 11 11 A A T 3 S+ 0 0 36 1,-0.3 23,-0.2 -2,-0.2 -2,-0.0 0.821 123.4 49.7 -57.4 -34.4 96.9 -1.9 -12.9 12 12 A D T 3 S+ 0 0 158 21,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.350 79.9 124.1 -90.9 12.1 95.0 -3.8 -15.7 13 13 A L < - 0 0 38 -3,-1.7 21,-0.9 21,-0.1 2,-0.2 -0.552 64.2-126.0 -72.5 123.7 92.0 -4.6 -13.4 14 14 A S B > -G 33 0B 76 -2,-0.4 3,-1.3 1,-0.1 19,-0.1 -0.467 6.9-137.9 -70.5 137.3 88.8 -3.3 -15.0 15 15 A M G > S+ 0 0 7 17,-0.7 3,-1.4 1,-0.2 -1,-0.1 0.675 95.1 77.7 -70.1 -15.4 86.7 -1.0 -12.7 16 16 A G G 3 S+ 0 0 40 1,-0.2 -1,-0.2 16,-0.2 5,-0.1 0.691 86.0 62.4 -68.6 -15.4 83.5 -2.8 -13.8 17 17 A S G < S+ 0 0 83 -3,-1.3 -1,-0.2 3,-0.1 2,-0.2 0.527 93.7 75.7 -88.0 -4.4 84.3 -5.7 -11.4 18 18 A V S < S- 0 0 11 -3,-1.4 59,-0.1 2,-0.1 3,-0.1 -0.587 93.5-106.2-103.5 168.8 84.2 -3.6 -8.2 19 19 A A S S+ 0 0 15 1,-0.2 2,-2.4 -2,-0.2 58,-0.2 0.896 111.4 70.7 -60.0 -39.3 81.3 -2.2 -6.3 20 20 A a + 0 0 1 56,-1.2 7,-0.9 33,-0.1 2,-0.7 -0.385 68.4 148.3 -77.8 67.7 81.9 1.4 -7.5 21 21 A S - 0 0 7 -2,-2.4 5,-0.2 31,-0.7 4,-0.1 -0.878 66.1 -61.8-108.7 110.1 80.8 0.6 -11.1 22 22 A N S > S+ 0 0 70 -2,-0.7 4,-1.2 3,-0.2 3,-0.2 -0.189 93.3 104.8 51.7-141.0 79.2 3.5 -13.0 23 23 A G T 4 S- 0 0 39 1,-0.2 -1,-0.1 2,-0.2 30,-0.1 -0.304 103.5 -46.0 65.4-156.0 76.0 4.8 -11.3 24 24 A D T 4 S+ 0 0 149 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.899 147.1 37.5 -78.1 -41.8 76.5 8.1 -9.4 25 25 A H T 4 S+ 0 0 64 -3,-0.2 -2,-0.2 27,-0.1 -1,-0.2 0.425 85.3 133.6 -89.9 2.1 79.8 7.1 -7.6 26 26 A G < - 0 0 15 -4,-1.2 4,-0.3 -5,-0.2 -5,-0.2 -0.282 38.6-167.7 -55.5 131.8 81.2 5.2 -10.6 27 27 A L S > S+ 0 0 27 -7,-0.9 4,-1.9 1,-0.2 6,-0.2 0.570 73.4 83.9 -96.3 -11.6 84.8 6.1 -11.2 28 28 A M T 4 S+ 0 0 44 -8,-0.4 -1,-0.2 2,-0.2 5,-0.1 0.855 78.7 70.1 -60.0 -34.4 84.9 4.4 -14.7 29 29 A A T 4 S+ 0 0 83 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.967 117.6 14.5 -49.2 -74.4 83.4 7.6 -16.3 30 30 A Q T 4 S+ 0 0 154 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.908 145.2 31.8 -70.0 -40.0 86.3 10.0 -16.0 31 31 A Y < + 0 0 67 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 -0.812 65.6 176.6-120.7 89.7 88.8 7.2 -15.2 32 32 A P S S+ 0 0 75 0, 0.0 -17,-0.7 0, 0.0 2,-0.3 0.544 70.6 50.0 -70.8 -5.0 87.7 4.0 -17.0 33 33 A T B S-G 14 0B 79 -6,-0.2 2,-0.5 -19,-0.1 -19,-0.1 -0.975 92.9-104.5-135.1 149.1 90.8 2.1 -15.7 34 34 A L S S+ 0 0 10 -21,-0.9 -21,-0.1 -2,-0.3 9,-0.0 -0.566 90.6 75.7 -72.5 117.6 92.4 1.7 -12.2 35 35 A G S S+ 0 0 33 -2,-0.5 -1,-0.2 -4,-0.1 5,-0.1 0.444 88.7 44.0 150.9 32.4 95.5 4.0 -12.0 36 36 A E S S+ 0 0 121 -3,-0.1 -2,-0.1 -5,-0.1 4,-0.1 0.322 98.7 57.2-158.8 -46.3 94.4 7.7 -11.6 37 37 A V S S+ 0 0 5 1,-0.2 -3,-0.1 2,-0.1 3,-0.0 0.996 129.6 19.5 -61.1 -59.9 91.6 8.2 -9.0 38 38 A P S S- 0 0 4 0, 0.0 -1,-0.2 0, 0.0 81,-0.2 0.779 116.5-113.9 -76.6 -28.4 93.7 6.5 -6.2 39 39 A G - 0 0 8 1,-0.1 -2,-0.1 80,-0.1 77,-0.1 -0.542 51.2 -79.0 127.3 -62.3 96.9 7.1 -8.2 40 40 A F S S+ 0 0 109 -2,-0.2 3,-0.3 -4,-0.1 -1,-0.1 -0.193 122.9 38.9 165.3 -58.7 97.9 3.4 -9.0 41 41 A P S S+ 0 0 21 0, 0.0 -2,-0.1 0, 0.0 -32,-0.0 0.141 105.3 69.9-100.2 18.2 99.5 1.7 -6.0 42 42 A N S S+ 0 0 21 43,-0.1 32,-1.9 29,-0.0 2,-0.4 -0.194 73.0 107.3-126.9 42.5 97.2 3.4 -3.4 43 43 A V E +c 74 0A 0 -3,-0.3 43,-1.5 30,-0.2 2,-0.3 -0.952 33.4 138.5-123.6 140.8 93.9 1.6 -4.1 44 44 A G E - D 0 85A 0 30,-1.0 33,-0.7 -2,-0.4 32,-0.4 -0.983 51.2 -83.3-166.6 169.1 92.2 -1.1 -2.0 45 45 A G E -cD 77 84A 2 39,-1.6 39,-1.6 -2,-0.3 33,-0.2 -0.444 41.5-164.5 -80.1 157.5 88.8 -2.3 -0.7 46 46 A I E > -c 78 0A 5 31,-3.1 3,-1.0 37,-0.2 33,-0.6 -0.998 30.0-120.2-146.2 145.2 87.3 -0.6 2.4 47 47 A P T 3 S+ 0 0 48 0, 0.0 31,-0.1 0, 0.0 36,-0.1 0.510 102.1 73.5 -61.7 -7.2 84.5 -1.6 4.8 48 48 A D T 3 S+ 0 0 76 29,-0.2 8,-0.5 8,-0.1 2,-0.5 0.185 73.4 98.2 -97.5 23.0 82.5 1.7 4.1 49 49 A I < - 0 0 12 -3,-1.0 30,-0.2 1,-0.1 3,-0.1 -0.909 51.0-168.8-110.1 130.1 81.3 0.7 0.6 50 50 A A - 0 0 86 -2,-0.5 2,-0.2 1,-0.1 -1,-0.1 0.923 48.7 -84.2 -85.2 -48.1 77.8 -0.7 0.2 51 51 A G S > S+ 0 0 24 -32,-0.0 3,-1.0 26,-0.0 -30,-0.2 -0.753 91.5 6.4 179.7-131.5 77.7 -2.1 -3.3 52 52 A W T 3 S+ 0 0 153 1,-0.3 -31,-0.7 -2,-0.2 -27,-0.1 0.736 140.0 18.5 -54.8 -22.9 77.2 -0.9 -6.9 53 53 A D T 3 S- 0 0 49 -33,-0.1 -1,-0.3 -30,-0.1 -33,-0.1 -0.352 79.9-172.6-147.9 62.5 77.0 2.7 -5.8 54 54 A S X - 0 0 0 -3,-1.0 3,-0.8 1,-0.1 -5,-0.1 -0.290 22.3-141.3 -58.6 142.0 78.5 3.2 -2.3 55 55 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.717 101.5 52.2 -77.5 -21.4 78.0 6.7 -0.8 56 56 A S T 3 S+ 0 0 47 -8,-0.5 3,-0.4 3,-0.0 19,-0.2 0.246 79.3 129.9 -97.9 13.8 81.6 6.7 0.7 57 57 A a < + 0 0 17 -3,-0.8 19,-0.1 1,-0.2 -31,-0.0 -0.433 66.0 30.6 -68.1 141.3 83.3 5.8 -2.6 58 58 A G S S+ 0 0 22 17,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.903 84.6 144.0 79.8 42.4 86.2 8.1 -3.5 59 59 A T - 0 0 27 -3,-0.4 16,-1.9 52,-0.0 2,-0.3 -0.951 44.5-132.8-120.0 130.0 87.3 8.9 0.1 60 60 A b E +E 74 0A 5 -2,-0.5 50,-1.1 50,-0.3 2,-0.3 -0.569 29.0 173.0 -80.1 139.9 90.9 9.3 1.2 61 61 A W E -EF 73 109A 38 12,-1.1 12,-2.5 -2,-0.3 2,-0.5 -0.996 25.1-136.7-145.3 150.9 92.2 7.6 4.3 62 62 A K E -EF 72 108A 74 46,-2.8 46,-1.6 -2,-0.3 2,-0.5 -0.903 15.8-154.4-109.6 133.0 95.6 7.1 6.0 63 63 A V E -EF 71 107A 10 8,-2.6 8,-1.1 -2,-0.5 2,-0.4 -0.907 11.5-170.4-110.0 128.9 96.6 3.7 7.4 64 64 A T E -EF 70 106A 41 42,-2.8 42,-1.4 -2,-0.5 6,-0.2 -0.930 2.9-161.9-120.0 142.7 99.1 3.4 10.3 65 65 A I E >> -E 69 0A 10 4,-1.6 3,-0.6 -2,-0.4 4,-0.5 -0.788 34.2-108.8-119.7 163.5 100.9 0.3 11.7 66 66 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 39,-0.0 0.741 113.3 66.1 -62.5 -23.6 102.7 -0.3 15.1 67 67 A N T 34 S- 0 0 123 2,-0.1 27,-0.1 1,-0.0 -3,-0.0 0.918 119.6-102.0 -66.4 -40.0 106.1 -0.4 13.3 68 68 A G T <4 S+ 0 0 62 -3,-0.6 2,-0.3 1,-0.3 -4,-0.0 0.710 79.4 106.0 117.9 60.4 105.8 3.3 12.3 69 69 A N E < - E 0 65A 69 -4,-0.5 -4,-1.6 2,-0.0 2,-0.3 -0.985 36.9-174.8-160.0 150.6 104.8 3.7 8.7 70 70 A S E - E 0 64A 34 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.996 6.9-169.0-151.1 156.9 101.6 4.7 6.8 71 71 A I E - E 0 63A 21 -8,-1.1 -8,-2.6 -2,-0.3 2,-0.5 -0.902 29.0-110.7-138.0 165.7 100.2 5.0 3.3 72 72 A F E - E 0 62A 44 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.883 28.6-169.3-106.9 127.5 97.0 6.6 1.8 73 73 A I E - E 0 61A 4 -12,-2.5 -12,-1.1 -2,-0.5 2,-0.4 -0.942 9.5-150.3-115.8 130.0 94.2 4.4 0.4 74 74 A R E -cE 43 60A 27 -32,-1.9 -30,-1.0 -2,-0.5 -14,-0.2 -0.814 30.7-105.0 -99.8 135.0 91.3 5.7 -1.6 75 75 A G E + 0 0 1 -16,-1.9 -17,-0.5 -2,-0.4 -30,-0.1 -0.178 58.6 138.5 -55.1 148.3 88.0 3.8 -1.4 76 76 A V E + 0 0 5 1,-0.6 -56,-1.2 -32,-0.4 2,-0.3 0.323 63.9 24.1-159.9 -38.0 87.0 1.7 -4.4 77 77 A D E S-c 45 0A 34 -33,-0.7 -31,-3.1 -58,-0.2 -1,-0.6 -0.844 77.2-105.9-133.2 170.0 85.6 -1.7 -3.2 78 78 A S E -c 46 0A 45 -2,-0.3 2,-0.4 -33,-0.2 -33,-0.1 -0.612 25.9-148.3 -97.3 160.0 83.8 -3.0 -0.1 79 79 A G - 0 0 28 -33,-0.6 3,-0.2 -2,-0.2 -30,-0.1 -0.979 17.5-136.4-129.9 141.7 85.3 -5.3 2.6 80 80 A R S S- 0 0 257 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.898 94.5 -25.7 -60.7 -39.9 83.7 -8.0 4.8 81 81 A G S S+ 0 0 50 1,-0.2 -79,-0.4 -79,-0.1 2,-0.2 -0.187 120.3 26.3-175.4 71.7 85.6 -6.7 7.8 82 82 A G S S- 0 0 12 -3,-0.2 2,-0.5 -81,-0.1 -79,-0.2 -0.813 82.2 -76.1 150.6 168.9 88.9 -4.9 7.3 83 83 A F E -a 3 0A 15 -81,-0.9 -79,-2.1 -2,-0.2 2,-0.4 -0.827 40.2-170.5 -98.5 128.6 90.9 -2.8 4.8 84 84 A N E +aD 4 45A 40 -39,-1.6 -39,-1.6 -2,-0.5 -79,-0.3 -0.963 9.9 171.6-120.6 131.0 92.5 -4.7 1.8 85 85 A V E -aD 5 44A 12 -81,-2.2 -79,-1.2 -2,-0.4 -41,-0.2 -0.809 42.3 -65.9-131.1 174.1 95.0 -3.0 -0.6 86 86 A N > - 0 0 6 -43,-1.5 4,-2.3 -2,-0.3 5,-0.1 -0.190 46.6-117.4 -55.8 153.1 97.3 -3.9 -3.5 87 87 A P H > S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.803 115.5 58.0 -65.8 -26.2 100.2 -6.2 -2.5 88 88 A T H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.925 108.3 44.6 -70.7 -40.0 102.7 -3.4 -3.5 89 89 A A H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 113.5 51.7 -68.9 -40.7 101.1 -1.0 -1.0 90 90 A F H X>S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.6 0.950 109.4 48.3 -60.1 -50.0 101.0 -3.7 1.6 91 91 A T H X5S+ 0 0 46 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.892 113.4 48.5 -60.0 -38.6 104.8 -4.5 1.2 92 92 A K H <5S+ 0 0 123 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.901 113.0 46.8 -70.1 -39.7 105.7 -0.8 1.4 93 93 A L H <5S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.919 130.7 20.0 -70.1 -43.6 103.6 -0.2 4.5 94 94 A V H <5S- 0 0 33 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.826 104.3-116.5 -95.0 -37.6 104.8 -3.2 6.5 95 95 A G S <> - 0 0 120 -2,-0.2 4,-0.9 1,-0.1 3,-0.7 -0.270 44.9-121.3 -62.0 149.6 91.8 15.7 2.5 112 112 A L H >> S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.892 109.0 66.5 -60.1 -39.9 91.7 14.2 -1.0 113 113 A S H 3> S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.885 95.2 58.2 -51.4 -38.9 94.7 16.2 -2.2 114 114 A N H <> S+ 0 0 65 -3,-0.7 4,-2.5 1,-0.2 5,-0.3 0.905 102.6 53.0 -60.9 -40.0 96.9 14.2 0.3 115 115 A b H