==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 27-JUN-06 2HGO . COMPND 2 MOLECULE: CASSIICOLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNESPORA CASSIICOLA; . AUTHOR P.BARTHE,V.PUJADE-RENAULT,C.ROUMESTAND,F.DE LAMOTTE . 27 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 44.4 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 . 8 29.6 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 . 2 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 3.7 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 3.7 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 . 1 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 3.7 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 205 0, 0.0 2,-0.3 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 126.4 12.7 1.8 -4.8 2 2 A T - 0 0 116 15,-0.2 2,-0.4 2,-0.0 0, 0.0 -0.984 360.0-157.0-144.4 152.7 10.7 3.3 -1.9 3 3 A a - 0 0 70 -2,-0.3 2,-0.2 15,-0.1 14,-0.2 -0.992 7.5-158.2-134.1 139.6 7.8 2.3 0.4 4 4 A V - 0 0 73 -2,-0.4 3,-0.2 12,-0.3 14,-0.1 -0.600 33.3-103.1-109.7 172.2 5.3 4.4 2.3 5 5 A S S S- 0 0 115 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.980 98.2 -11.7 -56.8 -62.9 3.1 3.8 5.3 6 6 A b - 0 0 42 8,-0.1 2,-0.5 11,-0.1 -1,-0.2 -0.980 58.0-160.9-147.2 132.5 -0.1 3.2 3.5 7 7 A V E -A 15 0A 33 8,-2.2 8,-1.3 -2,-0.3 2,-0.2 -0.954 19.5-138.4-116.2 121.3 -1.2 3.8 -0.1 8 8 A N E -A 14 0A 75 -2,-0.5 2,-0.4 6,-0.2 6,-0.2 -0.495 18.5-171.5 -79.1 146.6 -4.9 4.0 -1.0 9 9 A F E >> -A 13 0A 112 4,-2.9 4,-2.5 -2,-0.2 3,-1.1 -0.988 68.3 -8.7-141.7 128.1 -6.3 2.3 -4.1 10 10 A G T 34 S- 0 0 87 -2,-0.4 4,-0.1 1,-0.2 -1,-0.0 0.686 114.0 -79.6 61.0 17.3 -9.8 2.6 -5.5 11 11 A N T 34 S+ 0 0 151 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.925 129.4 56.3 56.4 47.8 -10.8 4.5 -2.3 12 12 A G T <4 S+ 0 0 30 -3,-1.1 12,-2.5 1,-0.5 2,-0.3 0.275 90.6 63.5-170.0 -37.5 -11.1 1.3 -0.4 13 13 A F E < -AB 9 23A 118 -4,-2.5 -4,-2.9 10,-0.2 -1,-0.5 -0.737 61.0-150.9-106.4 155.6 -7.9 -0.8 -0.5 14 14 A c E -AB 8 22A 2 8,-3.3 8,-2.2 -2,-0.3 2,-0.3 -0.828 4.7-156.4-122.4 161.9 -4.5 -0.0 0.9 15 15 A G E -AB 7 21A 1 -8,-1.3 -8,-2.2 -2,-0.3 6,-0.2 -0.982 23.4-141.3-139.7 151.0 -0.9 -1.0 -0.1 16 16 A D - 0 0 41 4,-1.4 -12,-0.3 -2,-0.3 5,-0.1 0.552 43.8-125.4 -83.8 -9.6 2.5 -1.2 1.6 17 17 A N S S+ 0 0 71 3,-0.5 -15,-0.2 -14,-0.2 4,-0.1 0.525 100.0 79.1 75.7 5.4 4.1 0.1 -1.6 18 18 A a S S- 0 0 86 2,-0.1 -1,-0.1 -14,-0.1 -15,-0.1 0.431 126.1 -68.4-119.0 -7.2 6.3 -3.0 -1.5 19 19 A G S S+ 0 0 83 1,-0.4 2,-0.3 0, 0.0 -4,-0.0 0.482 95.5 120.0 129.3 11.8 3.9 -5.5 -2.9 20 20 A N - 0 0 90 2,-0.0 -4,-1.4 0, 0.0 -3,-0.5 -0.836 34.4-176.0-109.2 146.1 1.2 -5.8 -0.2 21 21 A S E +B 15 0A 86 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -1.000 10.3 156.5-141.2 139.2 -2.5 -5.1 -0.6 22 22 A W E -B 14 0A 79 -8,-2.2 -8,-3.3 -2,-0.3 2,-0.1 -0.980 46.7 -90.0-161.0 149.4 -5.3 -5.2 2.0 23 23 A A E +B 13 0A 76 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.404 54.5 170.9 -63.5 130.2 -8.8 -3.7 2.6 24 24 A c - 0 0 28 -12,-2.5 -1,-0.0 -2,-0.1 -2,-0.0 -0.928 41.8-148.9-140.1 165.4 -8.5 -0.5 4.6 25 25 A S S S- 0 0 139 -2,-0.3 -1,-0.1 -17,-0.0 -12,-0.1 0.603 78.8 -57.9-106.1 -20.5 -10.6 2.5 5.8 26 26 A G 0 0 47 -14,-0.1 -12,-0.0 -19,-0.0 -13,-0.0 0.239 360.0 360.0 136.7 97.0 -7.8 5.0 5.6 27 27 A b 0 0 142 -22,-0.0 -20,-0.0 0, 0.0 -1,-0.0 0.712 360.0 360.0 -55.0 360.0 -4.5 4.9 7.5