==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 10-AUG-11 3ZXG . COMPND 2 MOLECULE: LYSENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EISENIA FETIDA; . AUTHOR L.DE COLIBUS,A.F.P.SONNEN,K.J.MORRIS,C.A.SIEBERT,P.ABRUSCI,J . 586 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 64.8 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 . 239 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 73 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 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 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 . 15 10 3 5 5 4 3 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 1 4 0 0 0 0 0 0 0 0 0 0 2 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 5 A A 0 0 91 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -51.2 14.6 -4.9 19.4 2 6 A A > - 0 0 67 1,-0.1 3,-1.6 4,-0.0 2,-0.3 -0.332 360.0 -60.4 -97.4-179.6 18.3 -4.7 20.6 3 7 A E T 3 S+ 0 0 169 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.498 127.9 15.1 -65.7 117.3 21.2 -2.1 20.1 4 8 A G T 3 S+ 0 0 13 1,-0.3 151,-1.5 -2,-0.3 2,-0.3 0.679 109.7 98.5 87.0 25.6 21.7 -1.9 16.3 5 9 A Y < - 0 0 73 -3,-1.6 2,-0.4 149,-0.3 -1,-0.3 -0.957 53.5-151.9-140.2 155.0 18.5 -3.7 15.2 6 10 A E - 0 0 50 -2,-0.3 147,-0.8 -3,-0.1 2,-0.4 -0.997 12.2-137.8-133.9 133.7 15.0 -2.6 14.0 7 11 A Q E -A 152 0A 98 -2,-0.4 2,-0.4 145,-0.2 145,-0.2 -0.763 23.7-174.3 -89.0 130.2 11.6 -4.3 14.3 8 12 A I E -A 151 0A 37 143,-3.3 143,-2.6 -2,-0.4 2,-0.2 -0.993 18.5-139.6-129.5 125.8 9.4 -4.1 11.1 9 13 A E E +A 150 0A 91 -2,-0.4 2,-0.3 141,-0.2 141,-0.2 -0.512 31.2 174.6 -78.7 148.0 5.8 -5.4 10.9 10 14 A V E -A 149 0A 14 139,-2.2 139,-3.3 -2,-0.2 2,-0.3 -0.981 35.2-100.8-155.9 149.6 5.1 -7.2 7.6 11 15 A D E -A 148 0A 107 -2,-0.3 2,-0.3 137,-0.2 137,-0.3 -0.598 41.4-169.3 -79.5 133.2 2.3 -9.1 5.9 12 16 A V - 0 0 10 135,-2.0 2,-0.8 -2,-0.3 135,-0.3 -0.841 27.3-106.6-123.2 155.8 2.7 -13.0 6.1 13 17 A V E +D 117 0B 101 104,-0.9 104,-2.5 -2,-0.3 2,-0.3 -0.758 43.3 173.0 -89.6 108.5 0.9 -15.9 4.4 14 18 A A E -D 116 0B 14 -2,-0.8 2,-0.3 102,-0.2 102,-0.2 -0.895 4.3-179.5-116.3 147.3 -1.4 -17.8 6.9 15 19 A V E -D 115 0B 87 100,-2.0 100,-2.3 -2,-0.3 2,-0.2 -1.000 21.6-133.0-149.1 143.8 -3.8 -20.6 6.1 16 20 A W E -D 114 0B 28 -2,-0.3 2,-0.3 98,-0.2 98,-0.2 -0.467 24.7-177.6 -85.6 167.7 -6.3 -22.8 7.9 17 21 A K E -D 113 0B 119 96,-0.5 96,-4.5 -2,-0.2 2,-1.3 -0.952 40.7-104.3-163.6 140.5 -6.4 -26.5 7.3 18 22 A E E +D 112 0B 94 -2,-0.3 94,-0.2 94,-0.2 3,-0.2 -0.660 43.1 179.4 -73.5 96.2 -8.6 -29.3 8.6 19 23 A G E - 0 0 26 92,-1.3 2,-0.3 -2,-1.3 -1,-0.2 0.911 66.5 -0.4 -64.4 -47.2 -5.9 -30.7 11.0 20 24 A Y E -D 111 0B 36 91,-1.5 91,-2.9 -3,-0.2 2,-0.3 -0.989 64.0-177.9-147.9 140.1 -8.1 -33.5 12.4 21 25 A V E -D 110 0B 53 -2,-0.3 2,-0.4 89,-0.2 89,-0.2 -0.969 1.8-175.1-140.9 124.9 -11.7 -34.6 11.6 22 26 A Y E -D 109 0B 48 87,-1.7 87,-2.6 -2,-0.3 2,-0.8 -0.977 8.0-162.1-125.9 118.7 -13.7 -37.4 13.2 23 27 A E E -D 108 0B 91 -2,-0.4 2,-1.4 85,-0.2 85,-0.2 -0.865 3.7-164.6-101.8 101.9 -17.2 -38.4 11.9 24 28 A N E +D 107 0B 5 83,-2.4 83,-0.9 -2,-0.8 82,-0.7 -0.627 19.4 165.1 -88.4 79.7 -19.1 -40.4 14.6 25 29 A R + 0 0 162 -2,-1.4 -1,-0.2 81,-0.2 2,-0.1 0.731 55.4 80.8 -68.1 -21.4 -22.0 -41.9 12.5 26 30 A G S S- 0 0 39 -3,-0.2 80,-1.2 1,-0.1 81,-0.2 -0.448 88.8-100.3 -87.2 159.7 -22.7 -44.4 15.3 27 31 A S S S+ 0 0 94 78,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.382 88.6 26.2 -72.5 154.4 -24.6 -44.1 18.6 28 32 A T S S- 0 0 104 -2,-0.1 2,-0.3 -4,-0.0 78,-0.2 0.309 102.0 -67.4 65.6 158.3 -22.5 -43.6 21.8 29 33 A S - 0 0 53 76,-0.1 2,-0.4 73,-0.1 73,-0.1 -0.614 43.3-157.8 -83.0 135.8 -19.0 -42.0 21.9 30 34 A V - 0 0 60 -2,-0.3 73,-0.8 73,-0.3 2,-0.4 -0.901 15.0-133.8-110.3 141.2 -16.0 -43.8 20.3 31 35 A D E +G 102 0C 84 -2,-0.4 2,-0.3 71,-0.1 71,-0.2 -0.840 26.1 169.0-108.5 136.1 -12.4 -42.9 21.4 32 36 A Q E -G 101 0C 95 69,-0.8 69,-1.2 -2,-0.4 2,-0.2 -0.927 29.9-118.0-133.9 155.6 -9.3 -42.2 19.2 33 37 A K + 0 0 163 -2,-0.3 2,-0.3 67,-0.2 67,-0.2 -0.631 30.8 173.7 -93.4 152.4 -5.8 -40.9 20.0 34 38 A I + 0 0 35 65,-0.4 65,-1.9 -2,-0.2 2,-0.3 -0.924 6.3 179.9-161.8 134.9 -4.3 -37.6 18.5 35 39 A T E -H 98 0D 66 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.996 4.4-173.4-140.5 141.2 -1.1 -35.6 19.1 36 40 A I E -H 97 0D 10 61,-2.8 61,-2.0 -2,-0.3 2,-0.4 -0.793 20.8-136.4-127.4 169.6 0.2 -32.4 17.5 37 41 A T E -H 96 0D 72 -2,-0.3 2,-0.5 59,-0.2 59,-0.3 -0.860 17.7-157.4-133.5 93.1 3.4 -30.4 17.6 38 42 A K E +H 95 0D 35 57,-2.4 57,-2.9 -2,-0.4 2,-0.2 -0.630 53.2 57.6 -73.8 119.4 2.8 -26.6 17.9 39 43 A G E S-E 124 0B 6 85,-2.4 85,-2.1 -2,-0.5 2,-0.3 -0.823 88.5 -42.7 148.7 175.9 5.9 -24.7 16.7 40 44 A M E > -E 123 0B 20 51,-2.2 3,-0.6 53,-0.3 83,-0.2 -0.546 56.5-121.7 -74.9 134.4 8.4 -23.9 13.9 41 45 A K T 3 S+ 0 0 134 81,-2.1 81,-0.3 -2,-0.3 -1,-0.1 -0.462 88.9 7.6 -75.7 145.2 9.6 -26.9 11.9 42 46 A N T 3 S- 0 0 146 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.870 81.2-173.7 50.9 49.9 13.4 -27.5 11.9 43 47 A V < - 0 0 48 -3,-0.6 -1,-0.2 1,-0.1 3,-0.1 -0.572 22.7-142.2 -72.9 133.6 14.3 -24.8 14.5 44 48 A N - 0 0 104 3,-0.3 2,-2.7 -2,-0.2 -1,-0.1 0.749 17.3-166.4 -68.8 -32.1 18.1 -24.4 14.8 45 49 A S S S+ 0 0 107 2,-0.5 -1,-0.2 1,-0.2 3,-0.0 -0.321 79.6 73.9 74.4 -55.3 17.9 -23.8 18.6 46 50 A E S S+ 0 0 177 -2,-2.7 2,-0.3 1,-0.1 -1,-0.2 0.700 113.8 14.9 -57.6 -20.4 21.5 -22.5 18.6 47 51 A T - 0 0 60 1,-0.1 -2,-0.5 2,-0.0 -3,-0.3 -0.991 52.3-152.1-153.6 155.1 20.0 -19.4 17.0 48 52 A R + 0 0 97 -2,-0.3 2,-0.6 -4,-0.1 20,-0.4 0.336 68.4 110.7-103.7 1.1 16.7 -17.5 16.4 49 53 A T - 0 0 71 18,-0.1 2,-0.5 16,-0.1 18,-0.2 -0.703 53.2-164.4 -81.7 119.2 18.1 -15.9 13.2 50 54 A V E -I 66 0E 27 16,-3.0 16,-2.1 -2,-0.6 2,-0.3 -0.929 12.2-140.6-111.2 126.3 16.3 -17.4 10.2 51 55 A T E -I 65 0E 93 -2,-0.5 14,-0.2 14,-0.2 2,-0.1 -0.644 33.6-107.1 -80.5 139.8 17.6 -17.0 6.6 52 56 A A - 0 0 8 12,-1.8 11,-1.7 -2,-0.3 68,-0.2 -0.402 28.5-174.8 -77.9 145.3 14.8 -16.5 4.0 53 57 A T S S+ 0 0 106 66,-1.7 2,-0.2 1,-0.3 67,-0.2 0.829 79.5 5.2 -95.9 -49.7 13.6 -19.1 1.5 54 58 A H S S- 0 0 61 65,-0.3 -1,-0.3 1,-0.1 9,-0.1 -0.794 93.2 -78.9-129.9 171.6 11.1 -16.8 -0.4 55 59 A S - 0 0 67 -2,-0.2 64,-0.3 -3,-0.1 2,-0.2 -0.083 18.6-154.8 -71.9 169.4 10.2 -13.0 -0.1 56 60 A I B >> -J 60 0F 8 4,-2.1 4,-1.7 1,-0.4 3,-0.6 -0.794 63.6 -68.5-141.5 86.2 8.0 -11.0 2.3 57 61 A G T 34 S- 0 0 65 -2,-0.2 -1,-0.4 1,-0.2 -47,-0.0 -0.312 93.2 -42.6 63.2-141.3 6.9 -7.9 0.5 58 62 A S T 34 S+ 0 0 117 -3,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.620 132.4 68.0 -94.6 -18.0 9.7 -5.4 -0.3 59 63 A T T <4 S+ 0 0 33 -3,-0.6 2,-0.6 1,-0.2 -2,-0.2 0.955 99.7 43.0 -68.5 -55.3 11.3 -5.6 3.1 60 64 A I B < -J 56 0F 2 -4,-1.7 -4,-2.1 4,-0.0 -1,-0.2 -0.879 64.6-177.0-104.7 124.2 12.7 -9.2 3.0 61 65 A S > - 0 0 30 -2,-0.6 3,-1.3 -6,-0.2 -9,-0.2 -0.519 46.1 -74.5-101.0 170.3 14.4 -10.6 -0.1 62 66 A T T 3 S+ 0 0 83 1,-0.2 184,-0.5 -2,-0.2 -9,-0.2 -0.392 118.7 26.2 -69.4 145.8 15.6 -14.3 -0.3 63 67 A G T 3 S+ 0 0 39 -11,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.467 90.7 135.6 80.6 4.2 18.7 -15.1 1.6 64 68 A D < - 0 0 2 -3,-1.3 -12,-1.8 -13,-0.1 2,-0.5 -0.646 54.0-126.0 -88.7 142.8 18.1 -12.3 4.1 65 69 A A E +I 51 0E 32 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.753 40.7 155.0 -91.5 126.5 18.5 -12.8 7.9 66 70 A F E -I 50 0E 1 -16,-2.1 -16,-3.0 -2,-0.5 2,-0.4 -0.851 31.8-139.0-140.9 174.2 15.5 -12.0 10.1 67 71 A E E -B 152 0A 50 85,-2.1 85,-3.0 -2,-0.3 2,-0.9 -0.994 22.9-123.4-140.5 132.9 14.0 -12.9 13.5 68 72 A I E +B 151 0A 0 -20,-0.4 83,-0.3 -2,-0.4 23,-0.2 -0.727 27.4 175.9 -85.9 105.5 10.3 -13.4 14.2 69 73 A G E - 0 0 12 81,-2.8 19,-0.7 -2,-0.9 2,-0.3 0.850 69.4 -30.2 -72.7 -37.8 9.3 -11.1 17.1 70 74 A S E -BC 150 87A 28 80,-1.5 80,-2.3 17,-0.2 2,-0.4 -0.960 48.8-135.9-171.4 164.2 5.7 -12.2 16.7 71 75 A V E -BC 149 86A 2 15,-1.7 15,-2.7 -2,-0.3 2,-0.4 -0.995 21.8-169.4-133.3 122.2 3.0 -13.5 14.4 72 76 A E E -BC 148 85A 70 76,-3.0 76,-3.1 -2,-0.4 2,-0.3 -0.976 5.0-178.7-120.6 127.9 -0.6 -12.0 14.5 73 77 A V E -BC 147 84A 1 11,-2.5 11,-2.2 -2,-0.4 2,-0.5 -0.946 16.5-152.2-125.6 145.4 -3.6 -13.4 12.7 74 78 A S E -BC 146 83A 18 72,-1.1 71,-3.3 -2,-0.3 72,-0.7 -0.985 22.1-175.1-117.0 124.4 -7.3 -12.2 12.5 75 79 A Y E -BC 144 82A 25 7,-2.3 7,-2.4 -2,-0.5 2,-0.6 -0.973 20.1-149.6-128.9 139.0 -9.8 -15.0 11.9 76 80 A S E +BC 143 81A 25 67,-1.8 67,-1.8 -2,-0.4 2,-0.4 -0.931 26.4 166.9-108.2 109.6 -13.7 -15.0 11.3 77 81 A H - 0 0 26 3,-1.6 -2,-0.0 -2,-0.6 64,-0.0 -0.995 66.7 -9.0-129.1 133.2 -15.4 -18.2 12.6 78 82 A S S S- 0 0 64 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.870 128.6 -56.1 50.8 46.2 -19.2 -18.7 13.1 79 83 A H S S+ 0 0 178 1,-0.1 -1,-0.2 -3,-0.1 2,-0.2 0.968 114.9 118.1 51.7 57.4 -19.8 -14.9 12.4 80 84 A E - 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