==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 30-SEP-04 1WQK . COMPND 2 MOLECULE: TOXIN APETX1; . SOURCE 2 ORGANISM_SCIENTIFIC: ANTHOPLEURA ELEGANTISSIMA; . AUTHOR B.CHAGOT,S.DIOCHOT,C.PIMENTEL,M.LAZDUNSKI,H.DARBON . 42 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 78.6 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 . 16 38.1 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 4.8 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 . 14 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 7.1 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 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 118 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.6 0.5 -1.6 9.8 2 2 A T + 0 0 78 2,-0.0 11,-3.2 10,-0.0 2,-0.5 -0.153 360.0 127.9 -85.4 41.6 -0.3 -0.5 6.3 3 3 A T E +A 12 0A 79 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.870 32.1 175.6-103.3 126.9 2.4 -2.8 4.9 4 4 A a E -A 11 0A 13 7,-2.7 7,-2.2 -2,-0.5 2,-0.6 -0.991 21.8-141.4-136.1 127.3 1.4 -5.2 2.1 5 5 A Y E -A 10 0A 162 -2,-0.4 2,-0.9 5,-0.2 5,-0.2 -0.772 6.8-158.9 -91.4 119.5 3.6 -7.6 0.2 6 6 A b E > S-A 9 0A 22 3,-2.5 3,-2.3 -2,-0.6 2,-1.3 -0.859 73.8 -46.9 -94.8 104.2 2.9 -7.9 -3.5 7 7 A G T 3 S- 0 0 86 -2,-0.9 -2,-0.1 1,-0.3 3,-0.0 -0.588 124.3 -29.9 71.1 -96.5 4.5 -11.2 -4.4 8 8 A K T 3 S+ 0 0 193 -2,-1.3 2,-0.4 2,-0.0 -1,-0.3 0.317 116.8 103.6-128.8 0.3 7.8 -10.6 -2.7 9 9 A T E < S-A 6 0A 46 -3,-2.3 -3,-2.5 1,-0.0 2,-0.7 -0.729 71.6-126.7 -92.4 130.7 8.0 -6.9 -3.1 10 10 A I E +A 5 0A 73 -2,-0.4 31,-1.9 -5,-0.2 2,-0.3 -0.641 38.2 174.0 -79.5 114.3 7.2 -4.8 0.0 11 11 A G E -A 4 0A 0 -7,-2.2 -7,-2.7 -2,-0.7 2,-0.4 -0.760 28.7-120.4-118.4 165.9 4.5 -2.2 -0.8 12 12 A I E -AB 3 38A 30 26,-2.8 26,-2.5 -2,-0.3 2,-0.9 -0.906 22.0-129.0-111.6 134.2 2.5 0.3 1.2 13 13 A Y E - B 0 37A 45 -11,-3.2 2,-0.8 -2,-0.4 24,-0.3 -0.718 18.7-161.3 -87.3 106.1 -1.3 0.2 1.4 14 14 A W E - B 0 36A 67 22,-3.4 22,-2.4 -2,-0.9 2,-0.7 -0.790 5.7-165.9 -88.5 108.4 -2.8 3.6 0.6 15 15 A F E S+ B 0 35A 139 -2,-0.8 20,-0.2 20,-0.2 3,-0.1 -0.863 71.8 30.3 -96.9 114.3 -6.3 3.7 1.9 16 16 A G S S+ 0 0 72 -2,-0.7 2,-0.3 18,-0.7 -1,-0.2 0.180 108.4 65.1 127.9 -16.6 -8.3 6.6 0.5 17 17 A T - 0 0 52 -3,-0.4 -1,-0.4 19,-0.1 19,-0.2 -0.937 53.3-157.3-135.5 156.7 -6.8 7.0 -2.9 18 18 A K S S+ 0 0 191 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.304 78.5 81.4-107.4 0.6 -6.5 5.0 -6.2 19 19 A T S S- 0 0 98 17,-0.1 17,-0.1 19,-0.0 19,-0.1 -0.944 79.4-129.6-116.8 119.0 -3.4 7.0 -7.2 20 20 A c - 0 0 20 -2,-0.5 2,-0.4 1,-0.1 4,-0.1 -0.499 39.7-105.9 -61.3 120.5 0.1 6.1 -6.0 21 21 A P > - 0 0 32 0, 0.0 2,-1.2 0, 0.0 3,-1.0 -0.344 28.2-148.9 -53.4 108.2 1.6 9.5 -4.8 22 22 A S T 3 S+ 0 0 122 -2,-0.4 -2,-0.1 1,-0.3 0, 0.0 -0.039 83.4 80.2 -79.2 36.8 4.0 10.2 -7.6 23 23 A N T 3 S+ 0 0 112 -2,-1.2 -1,-0.3 0, 0.0 -3,-0.0 0.133 89.1 52.8-123.9 13.7 6.4 12.0 -5.3 24 24 A R S < S- 0 0 108 -3,-1.0 -2,-0.1 -4,-0.1 17,-0.0 0.728 105.0-102.7-108.7 -74.4 8.0 8.8 -3.9 25 25 A G + 0 0 45 -4,-0.4 -3,-0.1 15,-0.1 2,-0.1 0.387 51.1 168.4 145.0 31.1 9.3 6.4 -6.5 26 26 A Y - 0 0 43 -5,-0.3 3,-0.1 1,-0.1 15,-0.1 -0.349 15.7-176.5 -70.6 149.6 6.7 3.7 -6.8 27 27 A T + 0 0 128 12,-2.9 2,-0.3 1,-0.4 -1,-0.1 0.738 64.6 19.4-112.1 -46.4 7.0 1.2 -9.7 28 28 A G E -C 39 0A 14 11,-2.2 11,-3.0 2,-0.0 2,-0.4 -0.866 59.9-156.4-129.7 160.7 4.0 -1.1 -9.3 29 29 A S E -C 38 0A 67 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.998 5.4-151.6-142.1 136.3 0.6 -1.0 -7.6 30 30 A b E -C 37 0A 35 7,-2.8 7,-3.3 -2,-0.4 2,-0.9 -0.911 25.6-123.2-107.2 128.2 -1.8 -3.7 -6.4 31 31 A G E -C 36 0A 84 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.591 43.8-177.9 -70.2 105.9 -5.5 -3.0 -6.3 32 32 A Y E > -C 35 0A 116 3,-1.8 3,-2.1 -2,-0.9 2,-0.5 -0.473 41.3 -56.9-105.7 173.1 -6.3 -3.7 -2.7 33 33 A F T 3 S- 0 0 165 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.317 118.1 -29.8 -54.3 102.1 -9.5 -3.7 -0.5 34 34 A L T 3 S+ 0 0 151 -2,-0.5 -18,-0.7 1,-0.2 -1,-0.3 0.755 137.1 56.8 58.3 28.4 -10.8 -0.2 -1.0 35 35 A G E < S-BC 15 32A 13 -3,-2.1 -3,-1.8 -20,-0.2 2,-0.4 -0.926 81.5-102.9-165.3-173.4 -7.2 1.0 -1.4 36 36 A I E -BC 14 31A 15 -22,-2.4 -22,-3.4 -2,-0.3 2,-0.9 -0.990 13.7-145.6-136.3 128.5 -4.0 0.6 -3.4 37 37 A a E -BC 13 30A 0 -7,-3.3 -7,-2.8 -2,-0.4 2,-0.5 -0.808 22.9-168.6 -92.1 102.8 -0.8 -1.2 -2.5 38 38 A c E -BC 12 29A 0 -26,-2.5 -26,-2.8 -2,-0.9 -9,-0.2 -0.820 19.4-121.2 -97.9 125.4 2.1 0.8 -4.1 39 39 A Y E S+ C 0 28A 63 -11,-3.0 -12,-2.9 -2,-0.5 -11,-2.2 -0.905 73.9 32.1-128.5 156.4 5.5 -0.7 -4.1 40 40 A P S S- 0 0 53 0, 0.0 2,-1.2 0, 0.0 -29,-0.2 0.593 80.0-122.4 -80.2 162.6 8.3 -0.5 -3.4 41 41 A V 0 0 69 -31,-1.9 -2,-0.1 1,-0.2 -30,-0.1 -0.543 360.0 360.0 -65.7 96.1 7.9 1.3 -0.1 42 42 A D 0 0 143 -2,-1.2 -1,-0.2 -30,-0.0 -18,-0.0 0.844 360.0 360.0 -99.3 360.0 10.1 4.3 -0.8