==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 21-SEP-99 1QM7 . COMPND 2 MOLECULE: R-CHII; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.H.LE DU,A.RICCIARDI,M.KHAYATI,R.MENEZ,J.C.BOULAIN,A.MENEZ, . 61 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 49.2 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 . 21 34.4 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 . 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 . 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 . 3 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.6 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 . 1 0 0 1 1 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 . 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 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 T 0 0 53 0, 0.0 16,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.4 -7.6 36.3 -1.1 2 2 A M E -A 16 0A 62 14,-0.2 56,-3.8 12,-0.0 57,-0.4 -0.855 360.0-179.8 -94.0 137.1 -4.7 36.0 -3.6 3 3 A a E -A 15 0A 0 12,-2.4 12,-2.8 -2,-0.4 2,-0.1 -0.960 31.3-111.7-134.6 144.6 -1.6 34.3 -2.4 4 4 A Y E -A 14 0A 77 -2,-0.3 2,-0.3 10,-0.2 20,-0.3 -0.493 42.2-165.0 -64.8 152.8 1.8 33.5 -3.9 5 5 A S E +A 13 0A 32 8,-2.5 8,-2.4 -2,-0.1 2,-0.3 -0.993 23.9 128.6-151.6 137.3 2.2 29.8 -4.4 6 6 A H B -B 38 0B 27 32,-2.3 32,-2.1 -2,-0.3 6,-0.1 -0.895 37.6-129.8-177.3 154.9 4.9 27.2 -5.1 7 7 A T - 0 0 77 -2,-0.3 -2,-0.0 30,-0.2 32,-0.0 -0.193 54.0 -82.1 -94.2-169.4 6.3 23.9 -3.9 8 8 A T S S+ 0 0 109 1,-0.1 29,-0.1 -2,-0.1 27,-0.0 0.859 130.1 18.3 -68.5 -29.2 10.0 23.4 -3.2 9 9 A T S S+ 0 0 124 2,-0.1 -1,-0.1 27,-0.0 28,-0.0 0.776 104.8 90.9-109.3 -39.0 10.5 22.8 -6.9 10 10 A S S S- 0 0 26 1,-0.1 2,-0.2 2,-0.0 -4,-0.0 0.017 84.0 -87.3 -56.2 170.3 7.5 24.2 -8.8 11 11 A R - 0 0 198 -5,-0.1 2,-0.8 1,-0.1 -4,-0.1 -0.504 40.1-106.1 -82.2 147.8 7.4 27.8 -10.2 12 12 A A + 0 0 75 -2,-0.2 2,-0.2 -6,-0.1 -6,-0.2 -0.668 51.0 161.2 -79.7 115.1 6.2 30.8 -8.1 13 13 A I E -A 5 0A 90 -8,-2.4 -8,-2.5 -2,-0.8 2,-0.5 -0.604 39.9-114.0-123.1 174.8 2.8 32.0 -9.2 14 14 A L E +A 4 0A 68 -10,-0.3 2,-0.3 -2,-0.2 -10,-0.2 -0.971 39.6 176.8-109.0 121.3 -0.1 34.1 -7.9 15 15 A T E -A 3 0A 41 -12,-2.8 -12,-2.4 -2,-0.5 2,-0.3 -0.851 30.5-124.6-126.2 164.5 -3.4 32.2 -7.2 16 16 A N E -A 2 0A 98 -2,-0.3 -14,-0.2 -14,-0.2 24,-0.1 -0.685 24.5-140.9 -97.9 157.3 -6.7 33.0 -5.8 17 17 A b > - 0 0 7 -16,-1.3 3,-2.2 -2,-0.3 2,-0.1 -0.735 11.7-151.3-128.1 82.8 -7.7 30.7 -3.0 18 18 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 22,-0.0 -0.355 82.3 4.6 -56.6 126.9 -11.4 29.8 -3.2 19 19 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.454 109.5 103.6 80.7 0.7 -12.8 29.2 0.3 20 20 A E < - 0 0 96 -3,-2.2 -1,-0.2 -19,-0.1 -3,-0.2 -0.863 45.6-171.5-115.8 153.9 -9.6 30.2 2.2 21 21 A T + 0 0 98 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.523 67.1 66.5-113.2 -14.7 -8.8 33.3 4.1 22 22 A N - 0 0 41 -21,-0.1 19,-3.2 -5,-0.0 2,-0.3 -0.760 57.2-156.6-111.3 158.5 -5.1 32.8 4.8 23 23 A a E -CD 40 54B 0 31,-2.6 31,-2.5 -2,-0.3 2,-0.3 -0.883 21.4-149.8-117.8 154.7 -1.9 32.5 2.8 24 24 A Y E -CD 39 53B 39 15,-2.7 15,-1.9 -2,-0.3 2,-0.4 -0.926 16.7-164.7-130.1 157.7 1.1 30.7 4.1 25 25 A K E -CD 38 52B 51 27,-2.1 27,-2.9 -2,-0.3 2,-0.5 -0.989 12.4-161.2-135.2 117.6 4.9 30.8 3.9 26 26 A K E +CD 37 51B 71 11,-2.7 10,-2.8 -2,-0.4 11,-1.5 -0.956 17.7 178.2 -95.7 134.9 6.8 27.7 5.1 27 27 A S E -CD 35 50B 24 23,-3.0 23,-2.4 -2,-0.5 2,-0.4 -0.865 36.9 -97.0-135.0 159.2 10.5 28.3 5.9 28 28 A R E - D 0 49B 88 6,-2.9 21,-0.2 -2,-0.3 20,-0.1 -0.627 25.1-160.7 -74.1 124.2 13.5 26.4 7.2 29 29 A R S S+ 0 0 142 19,-2.7 -1,-0.2 -2,-0.4 20,-0.1 0.856 78.8 55.9 -72.4 -38.2 13.9 27.1 10.9 30 30 A H S S- 0 0 96 18,-0.5 4,-0.2 2,-0.2 -2,-0.0 -0.736 105.9 -56.8 -97.3 149.5 17.6 25.9 10.8 31 31 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.083 116.9 60.2 -58.1-179.0 20.3 27.5 8.5 32 32 A P S S- 0 0 84 0, 0.0 2,-0.6 0, 0.0 -2,-0.2 0.763 87.5-160.8 -17.6 125.8 20.2 27.8 5.6 33 33 A K + 0 0 146 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 -0.861 30.0 135.7 -95.4 113.0 17.3 29.6 6.4 34 34 A M - 0 0 92 -2,-0.6 -6,-2.9 -4,-0.2 2,-0.4 -0.986 57.5 -87.8-157.0 162.2 15.1 29.9 3.4 35 35 A V E - C 0 27B 47 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.586 32.2-179.7 -78.2 128.6 11.5 29.7 2.2 36 36 A L E - 0 0 42 -10,-2.8 2,-0.3 -2,-0.4 -9,-0.2 0.620 62.8 -2.9-101.4 -20.1 10.5 26.2 1.2 37 37 A G E - C 0 26B 3 -11,-1.5 -11,-2.7 -29,-0.1 -1,-0.3 -0.981 48.5-164.7-170.4 154.8 6.9 26.8 0.1 38 38 A R E +BC 6 25B 45 -32,-2.1 -32,-2.3 -2,-0.3 2,-0.3 -0.970 31.4 122.2-142.2 144.7 4.0 29.3 -0.3 39 39 A G E - C 0 24B 2 -15,-1.9 -15,-2.7 -2,-0.3 2,-0.3 -0.994 54.4 -48.9-177.0-170.9 0.3 28.7 -0.8 40 40 A b E S+ C 0 23B 45 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.1 -0.625 92.5 10.6 -78.0 145.5 -3.3 29.0 0.1 41 41 A G S S- 0 0 3 -19,-3.2 13,-0.2 -2,-0.3 -2,-0.2 -0.484 88.2 -80.5 90.2-169.5 -4.5 28.2 3.7 42 42 A c - 0 0 66 -2,-0.1 -1,-0.1 11,-0.1 11,-0.1 -0.771 51.4-166.8-140.4 84.4 -2.6 27.5 6.9 43 43 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.223 28.3-104.5 -71.3 164.7 -1.4 23.9 6.8 44 44 A T - 0 0 145 7,-0.0 2,-0.4 1,-0.0 0, 0.0 -0.614 43.9-145.3 -86.9 142.8 -0.1 21.9 9.7 45 45 A V - 0 0 47 -2,-0.3 3,-0.1 4,-0.1 6,-0.1 -0.938 4.6-123.1-120.4 143.9 3.7 21.7 9.3 46 46 A A > - 0 0 68 -2,-0.4 3,-1.1 1,-0.2 2,-0.0 -0.242 52.6 -68.4 -74.0 173.6 6.2 18.9 10.2 47 47 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.258 116.0 38.9 -65.2 151.9 9.2 19.7 12.4 48 48 A G T 3 S+ 0 0 24 1,-0.2 -19,-2.7 -3,-0.1 -18,-0.5 0.223 93.0 112.5 86.6 -4.4 12.1 21.9 11.3 49 49 A I E < -D 28 0B 41 -3,-1.1 2,-0.5 -21,-0.2 -1,-0.2 -0.848 56.7-151.4-108.5 133.6 9.6 24.3 9.6 50 50 A K E -D 27 0B 126 -23,-2.4 -23,-3.0 -2,-0.5 2,-0.4 -0.851 23.1-159.3 -91.2 122.2 8.7 27.9 10.6 51 51 A L E -D 26 0B 49 -2,-0.5 2,-0.5 -25,-0.2 -25,-0.2 -0.904 11.4-173.7-107.9 123.6 5.1 28.6 9.4 52 52 A N E -D 25 0B 84 -27,-2.9 -27,-2.1 -2,-0.4 2,-0.4 -0.995 3.0-171.1-118.8 130.5 3.7 32.0 8.9 53 53 A c E +D 24 0B 46 -2,-0.5 2,-0.3 -29,-0.2 -29,-0.2 -0.984 8.8 175.3-122.4 129.8 0.0 32.5 8.0 54 54 A d E -D 23 0B 36 -31,-2.5 -31,-2.6 -2,-0.4 -13,-0.2 -0.847 25.6-145.8-131.0 168.7 -1.4 35.9 7.0 55 55 A T + 0 0 93 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.0 0.388 64.8 82.7-120.9 2.9 -4.8 37.2 5.8 56 56 A T S > S- 0 0 93 1,-0.1 3,-2.2 -33,-0.1 4,-0.2 -0.811 89.6 -78.5-110.6 159.4 -4.4 40.0 3.2 57 57 A D T 3 S+ 0 0 94 -2,-0.3 -54,-0.2 1,-0.3 -1,-0.1 -0.175 112.6 0.1 -52.4 140.9 -3.8 39.6 -0.5 58 58 A K T > S+ 0 0 100 -56,-3.8 3,-1.0 1,-0.1 -1,-0.3 0.654 87.5 137.9 57.3 22.8 -0.2 38.8 -1.5 59 59 A d T < + 0 0 29 -3,-2.2 -2,-0.1 -57,-0.4 -1,-0.1 0.724 54.1 71.4 -76.0 -13.7 0.8 38.8 2.2 60 60 A N T 3 0 0 3 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.174 360.0 360.0 -94.9 26.5 3.0 35.7 1.9 61 61 A Y < 0 0 166 -3,-1.0 -1,-0.3 -36,-0.1 -36,-0.2 -0.899 360.0 360.0 -76.2 360.0 5.8 37.2 -0.2