==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 14-APR-98 1IMT . COMPND 2 MOLECULE: INTESTINAL TOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS POLYLEPIS POLYLEPIS; . AUTHOR J.BOISBOUVIER,J.-P.ALBRAND,M.BLACKLEDGE,M.JAQUINOD, . 80 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 22.5 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1.2 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 . 9 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 147 0, 0.0 2,-2.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.8 22.7 7.3 -4.2 2 2 A V - 0 0 117 11,-0.0 2,-0.1 1,-0.0 0, 0.0 -0.470 360.0-156.8 -75.3 72.5 18.9 7.4 -3.5 3 3 A I + 0 0 118 -2,-2.4 2,-0.2 2,-0.0 9,-0.0 -0.355 24.0 166.2 -54.4 124.3 18.3 3.9 -4.8 4 4 A T + 0 0 73 3,-0.1 2,-2.4 -2,-0.1 9,-0.1 -0.632 43.8 54.7-132.0-171.3 14.6 3.7 -5.7 5 5 A G S S+ 0 0 41 7,-0.2 26,-2.6 -2,-0.2 2,-0.2 -0.535 110.7 60.1 75.6 -70.4 12.2 1.5 -7.7 6 6 A A B S-A 30 0A 53 -2,-2.4 2,-0.3 24,-0.2 24,-0.3 -0.606 89.6-167.9 -75.3 141.8 13.4 -1.3 -5.4 7 7 A a + 0 0 6 22,-2.7 22,-0.4 -2,-0.2 3,-0.1 -0.927 46.2 167.2-141.1 160.6 12.5 -0.2 -1.8 8 8 A E S S+ 0 0 59 1,-0.4 2,-0.3 -2,-0.3 46,-0.1 0.372 87.1 28.3-136.1 -32.3 12.9 -0.7 2.0 9 9 A R S > S- 0 0 130 1,-0.1 3,-2.1 44,-0.1 -1,-0.4 -0.999 75.5-126.6-134.8 139.1 11.4 2.6 3.3 10 10 A D G >> S+ 0 0 0 40,-2.6 4,-2.9 -2,-0.3 3,-2.4 0.826 103.8 77.7 -48.6 -39.2 8.7 4.8 1.6 11 11 A L G 34 S+ 0 0 143 1,-0.3 -1,-0.3 39,-0.3 4,-0.1 0.768 83.7 60.7 -40.1 -41.1 11.1 7.7 2.0 12 12 A Q G <4 S+ 0 0 32 -3,-2.1 -1,-0.3 1,-0.1 -7,-0.2 0.276 122.4 21.5 -80.6 12.9 13.2 6.5 -1.0 13 13 A b T <4 S- 0 0 49 -3,-2.4 -2,-0.2 -9,-0.1 -1,-0.1 0.409 101.9-168.9-138.9 -52.2 10.1 6.9 -3.3 14 14 A G >< + 0 0 21 -4,-2.9 3,-2.5 3,-0.1 -3,-0.1 -0.084 33.7 2.1 94.1 175.5 7.9 9.3 -1.5 15 15 A K T 3 S+ 0 0 165 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.128 121.7 39.8 -41.6 111.3 4.4 10.9 -1.4 16 16 A G T 3 S+ 0 0 40 1,-0.4 18,-2.2 16,-0.1 -1,-0.3 -0.033 119.0 44.8 125.6 -20.9 2.4 9.3 -4.2 17 17 A T E < -B 33 0A 34 -3,-2.5 -1,-0.4 16,-0.3 2,-0.3 -0.879 64.9-149.0-140.0 169.9 3.8 5.8 -3.6 18 18 A c E -B 32 0A 0 14,-2.8 14,-2.0 -2,-0.3 2,-1.7 -0.949 34.4 -99.9-140.3 161.7 4.6 3.4 -0.8 19 19 A a E -B 31 0A 0 -2,-0.3 35,-0.5 12,-0.2 12,-0.2 -0.518 51.9-176.5 -81.9 67.4 7.2 0.6 -0.2 20 20 A A E -B 30 0A 0 -2,-1.7 10,-2.7 10,-1.1 37,-0.3 -0.305 25.5-110.4 -70.9 152.7 5.0 -2.4 -1.1 21 21 A V E -B 29 0A 4 35,-2.5 2,-0.3 8,-0.3 8,-0.3 -0.306 34.8-106.3 -73.6 162.6 6.2 -6.0 -0.7 22 22 A S - 0 0 11 6,-2.1 -1,-0.1 3,-0.4 6,-0.1 -0.702 9.3-144.2 -90.6 148.2 6.8 -8.2 -3.9 23 23 A L S S+ 0 0 111 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.516 99.2 53.9 -82.5 -7.5 4.4 -11.0 -4.9 24 24 A W S S- 0 0 211 1,-0.4 2,-0.3 4,-0.1 -1,-0.1 0.882 126.3 -2.2 -99.3 -47.6 7.4 -13.1 -6.1 25 25 A I > - 0 0 96 3,-0.2 3,-2.5 1,-0.1 -3,-0.4 -0.945 56.9-140.1-147.1 126.3 9.7 -13.2 -3.0 26 26 A K T 3 S+ 0 0 102 -2,-0.3 -4,-0.2 1,-0.3 29,-0.1 0.815 101.4 76.2 -50.4 -33.0 9.0 -11.3 0.3 27 27 A S T 3 S+ 0 0 99 -6,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.771 90.2 63.2 -45.8 -37.9 12.7 -10.6 0.2 28 28 A V < - 0 0 61 -3,-2.5 -6,-2.1 -6,-0.1 2,-0.3 -0.792 62.2-179.9 -99.9 140.3 12.0 -7.9 -2.5 29 29 A R E - B 0 21A 4 -22,-0.4 -22,-2.7 -2,-0.4 2,-0.3 -0.970 8.5-177.1-135.9 144.2 9.9 -4.8 -1.9 30 30 A V E -AB 6 20A 52 -10,-2.7 -10,-1.1 -2,-0.3 -24,-0.2 -0.901 34.7 -83.9-140.0 164.0 9.2 -2.1 -4.5 31 31 A b E + B 0 19A 29 -26,-2.6 -12,-0.2 -2,-0.3 -24,-0.0 -0.477 44.8 178.9 -67.8 141.4 7.5 1.2 -5.0 32 32 A T E - B 0 18A 45 -14,-2.0 -14,-2.8 -2,-0.1 3,-0.1 -0.974 30.6-107.2-141.0 143.8 3.7 1.0 -5.6 33 33 A P E - B 0 17A 72 0, 0.0 -16,-0.3 0, 0.0 26,-0.2 -0.309 44.8 -86.5 -70.2 157.1 1.4 3.9 -6.1 34 34 A V - 0 0 24 -18,-2.2 27,-0.2 1,-0.1 2,-0.2 -0.347 63.5 -85.5 -55.8 145.4 -1.2 5.0 -3.4 35 35 A G B -c 61 0B 4 25,-2.2 27,-2.9 24,-0.2 2,-0.2 -0.381 51.1-157.3 -62.2 124.1 -4.4 3.0 -3.9 36 36 A T > - 0 0 72 25,-0.2 3,-2.7 -2,-0.2 41,-0.4 -0.547 43.4 -49.3 -99.5 166.5 -6.7 4.6 -6.5 37 37 A S T 3 S+ 0 0 86 1,-0.3 41,-0.2 -2,-0.2 -1,-0.2 -0.082 128.3 3.1 -38.9 108.5 -10.5 4.3 -6.9 38 38 A G T 3 S+ 0 0 38 39,-3.0 -1,-0.3 1,-0.3 40,-0.1 0.077 94.7 130.8 99.3 -21.2 -11.3 0.5 -6.9 39 39 A E < - 0 0 85 -3,-2.7 38,-2.9 38,-0.3 -1,-0.3 -0.336 65.0-100.8 -65.4 147.7 -7.8 -0.8 -6.3 40 40 A D E +D 76 0C 97 36,-0.2 19,-0.3 -3,-0.1 36,-0.3 -0.281 46.9 174.5 -65.5 153.4 -7.4 -3.5 -3.5 41 41 A d E -D 75 0C 10 34,-2.6 34,-1.1 27,-0.1 16,-0.0 -0.899 27.9-130.4-151.0 173.8 -6.1 -2.4 -0.1 42 42 A H > - 0 0 66 -2,-0.3 3,-2.3 17,-0.2 25,-0.1 -0.995 23.4-128.6-133.2 131.6 -5.5 -3.7 3.4 43 43 A P T 3 S+ 0 0 84 0, 0.0 24,-0.1 0, 0.0 -1,-0.0 0.685 109.4 58.8 -57.9 -17.3 -6.8 -1.8 6.5 44 44 A A T 3 + 0 0 58 1,-0.1 2,-2.5 2,-0.1 12,-0.1 0.182 65.3 126.9 -98.2 17.2 -3.2 -2.0 8.0 45 45 A S < - 0 0 14 -3,-2.3 16,-0.1 14,-0.1 -1,-0.1 -0.479 60.0-146.0 -71.3 75.0 -1.6 -0.2 5.0 46 46 A H - 0 0 111 -2,-2.5 4,-0.2 8,-0.1 -2,-0.1 0.017 21.7 -82.1 -47.0 148.6 0.0 2.3 7.4 47 47 A K - 0 0 151 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.172 58.8 -71.9 -48.1 161.4 0.5 6.0 6.4 48 48 A I S S+ 0 0 25 1,-0.2 -1,-0.1 -30,-0.1 -30,-0.1 -0.867 109.7 43.9-100.0 138.4 3.3 7.4 4.3 49 49 A P S S+ 0 0 84 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.292 74.7 168.9 -92.0 124.1 6.2 7.8 4.9 50 50 A F - 0 0 55 -4,-0.2 -40,-2.6 1,-0.1 -39,-0.3 -0.850 20.5-170.9 -99.8 130.2 6.6 4.4 6.6 51 51 A S + 0 0 93 -2,-0.5 -1,-0.1 -42,-0.2 2,-0.1 0.479 62.0 81.8 -93.4 -10.2 10.2 3.2 7.5 52 52 A G S S- 0 0 24 1,-0.1 2,-0.7 2,-0.0 -42,-0.2 -0.233 97.3 -75.7 -92.1-177.6 9.2 -0.4 8.4 53 53 A Q - 0 0 90 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.708 37.2-156.9 -79.5 110.0 8.4 -3.6 6.6 54 54 A R - 0 0 14 -2,-0.7 2,-1.9 -35,-0.5 -1,-0.2 0.713 12.2-159.3 -63.3 -24.0 4.9 -3.0 5.1 55 55 A M + 0 0 130 -29,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.165 62.5 77.9 74.1 -40.5 4.4 -6.8 4.9 56 56 A H S S- 0 0 54 -2,-1.9 -35,-2.5 2,-0.2 -2,-0.1 -0.497 81.4-128.4 -97.9 163.5 1.6 -6.4 2.3 57 57 A H S S+ 0 0 78 -37,-0.3 2,-0.2 -2,-0.2 -37,-0.2 0.327 83.0 96.5 -85.8 1.4 1.7 -5.6 -1.4 58 58 A T - 0 0 30 -4,-0.1 -37,-0.2 -39,-0.1 -2,-0.2 -0.520 57.3-156.2 -99.5 162.4 -0.8 -2.8 -0.7 59 59 A c - 0 0 4 -19,-0.3 -24,-0.2 -2,-0.2 -17,-0.2 -0.898 38.3 -86.0-130.5 154.8 -0.4 1.0 -0.2 60 60 A P - 0 0 14 0, 0.0 -25,-2.2 0, 0.0 -14,-0.1 -0.245 54.5 -94.4 -61.8 154.7 -2.7 3.4 1.6 61 61 A e B -c 35 0B 16 -27,-0.2 -25,-0.2 1,-0.1 4,-0.2 -0.365 51.0 -88.8 -67.3 148.6 -5.6 4.8 -0.5 62 62 A A > - 0 0 23 -27,-2.9 3,-1.4 2,-0.1 -1,-0.1 -0.260 51.0 -94.1 -55.9 149.7 -5.0 8.2 -2.1 63 63 A P T 3 S+ 0 0 121 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.770 125.5 50.7 -34.6 -49.9 -6.0 11.2 0.2 64 64 A N T 3 S+ 0 0 140 16,-0.1 2,-0.3 15,-0.1 16,-0.3 -0.113 108.8 64.6 -87.4 35.8 -9.5 11.6 -1.2 65 65 A L < - 0 0 23 -3,-1.4 2,-0.3 -2,-0.4 14,-0.2 -0.955 65.1-148.5-148.1 164.0 -10.3 7.8 -0.8 66 66 A A E -E 78 0C 35 12,-2.9 12,-2.6 -2,-0.3 2,-1.0 -0.985 26.4-112.4-140.1 148.2 -10.6 5.2 2.1 67 67 A d E +E 77 0C 40 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.707 44.8 179.4 -82.1 99.0 -9.9 1.5 2.4 68 68 A V E -E 76 0C 38 8,-2.7 8,-2.9 -2,-1.0 -27,-0.1 -0.791 29.9-107.7-105.6 147.4 -13.4 -0.1 2.8 69 69 A Q E +E 75 0C 107 -2,-0.3 6,-0.3 6,-0.3 -27,-0.0 -0.448 34.5 170.2 -72.9 144.0 -14.1 -3.8 3.2 70 70 A T E S- 0 0 55 4,-3.1 5,-0.2 1,-0.6 -1,-0.2 0.606 70.3 -12.7-119.8 -42.4 -15.7 -5.7 0.2 71 71 A S E > S-E 74 0C 52 3,-2.4 3,-2.9 0, 0.0 -1,-0.6 -0.909 103.4 -45.5-150.3 174.1 -15.4 -9.3 1.5 72 72 A P T 3 S- 0 0 109 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.273 128.9 -11.5 -50.1 115.9 -13.5 -11.2 4.3 73 73 A K T 3 S+ 0 0 204 1,-0.1 2,-0.4 -2,-0.1 -4,-0.0 0.659 115.2 109.3 62.3 23.1 -9.9 -9.9 4.3 74 74 A K E < + E 0 71C 110 -3,-2.9 -4,-3.1 -34,-0.0 -3,-2.4 -0.943 41.2 167.5-130.9 105.6 -10.6 -8.1 0.9 75 75 A F E -DE 41 69C 50 -34,-1.1 -34,-2.6 -2,-0.4 2,-0.3 -0.847 14.4-160.3-116.6 154.5 -10.8 -4.3 1.1 76 76 A K E -DE 40 68C 68 -8,-2.9 -8,-2.7 -2,-0.3 2,-1.0 -0.937 29.5-103.9-134.0 155.2 -10.8 -1.8 -1.8 77 77 A e E + E 0 67C 0 -38,-2.9 -39,-3.0 -41,-0.4 -38,-0.3 -0.719 50.0 174.2 -82.8 101.6 -10.1 2.0 -2.0 78 78 A L E - E 0 66C 69 -12,-2.6 -12,-2.9 -2,-1.0 2,-0.5 -0.624 39.4 -85.2-106.3 166.4 -13.5 3.7 -2.3 79 79 A S 0 0 88 -14,-0.2 -14,-0.2 -2,-0.2 -15,-0.1 -0.640 360.0 360.0 -77.9 118.5 -14.5 7.3 -2.4 80 80 A K 0 0 180 -2,-0.5 -15,-0.2 -16,-0.3 -1,-0.2 0.198 360.0 360.0-151.8 360.0 -14.9 8.8 1.1