==== 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 08-AUG-11 3ZX7 . 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 . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 68.2 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 . 125 42.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0.3 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 . 39 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 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 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 . 7 5 2 1 3 2 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 1 0 0 0 0 0 0 0 0 0 1 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 6 A A > 0 0 112 0, 0.0 3,-2.1 0, 0.0 2,-1.2 0.000 360.0 360.0 360.0 142.6 23.7 20.7 24.0 2 7 A E T 3 + 0 0 154 1,-0.3 3,-0.1 3,-0.0 290,-0.0 -0.435 360.0 7.9 -64.0 89.7 19.9 20.2 24.5 3 8 A G T 3 S+ 0 0 19 -2,-1.2 151,-2.6 1,-0.4 -1,-0.3 0.534 107.2 99.2 113.5 15.3 19.4 17.1 22.3 4 9 A Y E < -A 153 0A 86 -3,-2.1 -1,-0.4 149,-0.3 2,-0.3 -0.803 47.6-159.6-124.8 165.9 22.9 15.9 21.4 5 10 A E E -A 152 0A 53 147,-2.3 147,-2.6 -2,-0.3 2,-0.3 -0.996 17.1-122.6-148.0 149.1 25.2 13.2 22.7 6 11 A Q E -A 151 0A 103 -2,-0.3 2,-0.3 145,-0.2 145,-0.2 -0.712 29.0-179.1 -93.2 143.9 28.9 12.3 22.8 7 12 A I E -A 150 0A 30 143,-2.0 143,-2.2 -2,-0.3 2,-0.2 -0.993 22.6-131.0-143.1 135.7 30.1 8.8 21.5 8 13 A E E +A 149 0A 112 -2,-0.3 2,-0.3 141,-0.2 141,-0.2 -0.601 35.0 166.6 -87.5 144.9 33.6 7.2 21.2 9 14 A V E -A 148 0A 17 139,-2.7 139,-3.3 -2,-0.2 2,-0.2 -0.976 37.4-105.7-160.5 146.8 34.6 5.7 17.9 10 15 A D E -A 147 0A 120 -2,-0.3 2,-0.3 137,-0.2 137,-0.3 -0.527 37.7-175.1 -76.0 137.5 37.7 4.3 16.0 11 16 A V - 0 0 16 135,-0.8 2,-0.4 -2,-0.2 135,-0.2 -0.865 25.6-109.7-129.1 158.1 39.1 6.6 13.2 12 17 A V E +D 116 0B 89 104,-0.8 104,-2.9 -2,-0.3 2,-0.3 -0.806 37.4 170.3 -96.2 133.6 41.9 6.1 10.5 13 18 A A E -D 115 0B 16 -2,-0.4 2,-0.3 102,-0.2 102,-0.2 -0.970 5.5-177.7-138.6 149.3 45.2 8.1 10.8 14 19 A V E -D 114 0B 94 100,-0.7 100,-2.0 -2,-0.3 2,-0.6 -0.996 28.4-120.5-152.7 150.9 48.5 7.8 8.9 15 20 A W E -D 113 0B 27 -2,-0.3 98,-0.2 126,-0.2 2,-0.2 -0.847 35.2-165.4 -94.1 117.1 52.1 9.2 8.6 16 21 A K E -D 112 0B 93 96,-3.1 96,-2.1 -2,-0.6 -2,-0.0 -0.508 34.3-104.3 -99.4 163.9 52.8 10.7 5.1 17 22 A E E + 0 0 136 94,-0.2 2,-1.3 1,-0.2 -1,-0.1 0.928 51.0 173.1 -49.2 -52.5 56.2 11.7 3.5 18 23 A G E - 0 0 29 93,-0.2 2,-0.3 94,-0.1 -1,-0.2 -0.646 57.6 -10.7 78.9 -89.3 55.4 15.5 4.0 19 24 A Y E -D 110 0B 66 91,-1.6 91,-1.6 -2,-1.3 2,-0.3 -0.986 61.1-169.6-143.8 142.8 58.7 17.2 2.9 20 25 A V E -D 109 0B 72 -2,-0.3 2,-0.4 89,-0.2 89,-0.2 -0.967 3.8-178.9-140.6 123.3 62.2 15.7 2.1 21 26 A Y E -D 108 0B 55 87,-1.6 87,-2.1 -2,-0.3 2,-0.5 -0.982 8.9-161.1-123.6 131.3 65.5 17.7 1.6 22 27 A E E -D 107 0B 95 -2,-0.4 2,-0.7 85,-0.2 85,-0.2 -0.958 5.9-173.0-115.1 117.7 68.8 16.0 0.7 23 28 A N E +D 106 0B 16 83,-1.2 82,-1.3 -2,-0.5 83,-1.0 -0.869 14.1 165.4-108.4 91.5 72.1 18.0 1.3 24 29 A R + 0 0 172 -2,-0.7 -1,-0.1 81,-0.2 2,-0.1 0.664 61.8 44.0 -80.3 -20.1 74.8 15.7 -0.2 25 30 A G S S- 0 0 40 2,-0.1 80,-0.7 1,-0.0 2,-0.3 -0.378 89.8 -48.6-111.8-169.2 77.5 18.5 -0.3 26 31 A S S S+ 0 0 113 78,-0.1 2,-0.1 -2,-0.1 -2,-0.1 -0.766 79.5 31.2-112.5 156.0 78.9 21.2 2.0 27 32 A T S S- 0 0 109 -2,-0.3 2,-0.3 -4,-0.1 -2,-0.1 0.467 87.2 -77.3 -98.5-148.1 78.3 23.6 3.8 28 33 A S - 0 0 57 -2,-0.1 2,-0.4 76,-0.1 -2,-0.1 -0.563 48.2-154.7 -70.2 127.9 75.1 23.9 6.0 29 34 A V E -H 102 0C 42 73,-1.4 73,-2.1 -2,-0.3 2,-0.3 -0.910 1.8-145.6-109.6 132.4 72.1 25.0 3.8 30 35 A D E -H 101 0C 91 -2,-0.4 2,-0.3 71,-0.2 71,-0.2 -0.713 16.3-174.6 -96.6 144.9 69.0 26.8 5.2 31 36 A Q E -H 100 0C 64 69,-1.0 69,-2.1 -2,-0.3 2,-0.2 -0.987 21.3-132.9-142.5 129.9 65.5 26.2 3.8 32 37 A K E -H 99 0C 163 -2,-0.3 2,-0.3 67,-0.2 67,-0.2 -0.609 27.2-170.7 -79.5 141.5 62.2 28.0 4.5 33 38 A I E -H 98 0C 12 65,-2.2 65,-2.0 -2,-0.2 2,-0.4 -0.990 8.9-172.9-140.3 130.8 59.2 25.5 5.2 34 39 A T E +H 97 0C 81 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.975 7.0 174.0-127.0 133.2 55.5 26.3 5.6 35 40 A I E -H 96 0C 15 61,-2.5 61,-1.3 -2,-0.4 2,-0.6 -0.983 24.7-137.0-136.5 147.9 52.7 23.7 6.6 36 41 A T E -H 95 0C 68 -2,-0.3 2,-0.8 59,-0.2 59,-0.2 -0.885 11.6-161.1-113.7 102.2 49.0 24.2 7.3 37 42 A K E +H 94 0C 35 57,-2.5 57,-3.0 -2,-0.6 2,-0.3 -0.725 50.9 91.2 -79.7 107.1 47.7 22.2 10.4 38 43 A G E S-E 123 0B 3 85,-2.4 85,-1.3 -2,-0.8 2,-0.2 -0.923 79.9 -69.2 174.7 164.3 43.9 22.1 9.9 39 44 A X E > -E 122 0B 21 51,-0.5 3,-1.0 -2,-0.3 83,-0.2 -0.514 57.5-110.1 -70.4 134.3 40.8 20.3 8.5 40 45 A K T 3 S- 0 0 120 81,-2.9 81,-0.3 1,-0.2 -1,-0.1 -0.488 92.9 -5.4 -70.5 135.0 40.7 20.3 4.7 41 46 A N T 3 S- 0 0 135 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.787 86.8-172.7 47.1 44.3 37.9 22.6 3.2 42 47 A V < - 0 0 47 -3,-1.0 2,-0.4 1,-0.1 -1,-0.2 -0.427 23.2-123.2 -67.3 128.8 36.4 23.4 6.7 43 48 A N - 0 0 95 -2,-0.2 3,-0.3 3,-0.2 -1,-0.1 -0.613 15.5-160.4 -76.7 125.9 33.1 25.4 6.7 44 49 A S S S+ 0 0 121 -2,-0.4 -1,-0.1 1,-0.2 3,-0.0 0.819 88.6 58.8 -73.8 -34.9 33.4 28.7 8.6 45 50 A E S S+ 0 0 173 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.649 117.3 15.6 -71.3 -17.7 29.6 29.0 9.1 46 51 A T - 0 0 58 -3,-0.3 -3,-0.2 1,-0.1 -1,-0.1 -0.997 46.1-150.6-155.6 160.1 29.2 25.6 10.9 47 52 A R + 0 0 96 -2,-0.3 20,-0.4 -5,-0.1 2,-0.2 0.568 68.7 108.4-103.8 -14.9 31.0 22.7 12.7 48 53 A T - 0 0 71 18,-0.1 2,-0.4 16,-0.1 18,-0.2 -0.462 55.9-159.8 -65.0 130.3 28.4 20.1 11.6 49 54 A V E -I 65 0D 21 16,-3.3 16,-1.7 -2,-0.2 2,-0.7 -0.951 13.5-136.7-118.1 132.9 30.1 17.8 9.1 50 55 A T E -I 64 0D 94 -2,-0.4 14,-0.2 14,-0.2 13,-0.1 -0.836 34.7-114.2 -89.3 109.8 28.1 15.6 6.6 51 56 A A - 0 0 3 12,-2.7 11,-3.1 -2,-0.7 68,-0.2 -0.170 25.5-168.9 -48.4 125.5 29.9 12.2 6.6 52 57 A T S S+ 0 0 104 66,-1.7 2,-0.3 9,-0.2 67,-0.2 0.738 78.9 5.8 -85.5 -29.6 31.4 11.3 3.2 53 58 A H S S- 0 0 72 65,-0.9 -1,-0.2 7,-0.1 9,-0.1 -0.904 94.5 -75.4-144.5 172.6 32.0 7.7 4.4 54 59 A S - 0 0 61 -2,-0.3 6,-0.3 -3,-0.1 64,-0.2 -0.214 16.8-157.5 -72.8 161.1 31.1 5.5 7.4 55 60 A I B >> -J 59 0E 8 4,-2.1 4,-1.1 1,-0.5 3,-0.7 -0.728 63.9 -75.5-134.6 72.1 32.6 5.4 10.9 56 61 A G T 34 S- 0 0 57 1,-0.2 -1,-0.5 -2,-0.2 3,-0.2 -0.245 90.0 -33.8 68.8-152.0 31.6 1.9 11.9 57 62 A S T 34 S+ 0 0 132 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.689 135.4 62.5 -73.1 -21.8 28.0 1.0 12.9 58 63 A T T <4 S+ 0 0 53 -3,-0.7 2,-0.4 1,-0.1 -2,-0.2 0.836 105.8 35.3 -77.7 -38.0 27.5 4.5 14.5 59 64 A I B < -J 55 0E 2 -4,-1.1 -4,-2.1 -3,-0.2 2,-0.3 -0.971 61.6-178.4-124.9 140.0 28.0 6.8 11.3 60 65 A S > - 0 0 47 -2,-0.4 3,-2.3 -6,-0.3 -9,-0.2 -0.885 47.3 -68.9-128.5 157.0 27.0 6.3 7.6 61 66 A T T 3 S+ 0 0 89 -2,-0.3 184,-0.4 1,-0.3 -9,-0.2 -0.195 122.4 23.0 -48.1 127.9 27.5 8.5 4.5 62 67 A G T 3 S+ 0 0 38 -11,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.294 90.4 135.0 93.7 -5.4 25.3 11.6 4.8 63 68 A D < - 0 0 3 -3,-2.3 -12,-2.7 -12,-0.1 2,-0.4 -0.553 54.4-124.1 -79.3 142.4 25.0 11.5 8.6 64 69 A A E +I 50 0D 30 -2,-0.2 89,-0.3 -14,-0.2 2,-0.3 -0.668 43.9 147.9 -87.6 131.3 25.4 14.7 10.5 65 70 A F E -I 49 0D 3 -16,-1.7 -16,-3.3 -2,-0.4 2,-0.4 -0.966 35.1-139.7-154.3 165.4 28.0 14.8 13.3 66 71 A E E -B 151 0A 52 85,-1.6 85,-3.3 -2,-0.3 2,-0.9 -0.995 25.8-121.1-132.2 131.8 30.5 17.2 15.0 67 72 A I E +B 150 0A 0 -20,-0.4 83,-0.2 -2,-0.4 23,-0.1 -0.699 30.0 176.0 -79.7 106.5 34.0 16.2 16.0 68 73 A G E - 0 0 7 81,-1.7 2,-0.3 -2,-0.9 82,-0.2 0.931 65.1 -22.9 -72.7 -50.2 34.4 16.7 19.8 69 74 A S E -B 149 0A 46 80,-1.5 80,-3.0 17,-0.1 2,-0.4 -0.967 51.5-148.7-163.8 149.0 38.0 15.4 20.2 70 75 A V E -BC 148 85A 7 15,-0.6 15,-1.6 -2,-0.3 2,-0.5 -0.989 9.2-169.2-127.4 131.5 40.5 13.1 18.4 71 76 A E E +BC 147 84A 59 76,-3.2 76,-0.7 -2,-0.4 2,-0.4 -0.878 7.7 178.6-126.8 99.8 43.2 11.0 20.2 72 77 A V E -BC 146 83A 4 11,-1.4 11,-2.0 -2,-0.5 2,-0.5 -0.875 12.1-157.6-105.2 128.5 45.9 9.3 18.1 73 78 A S E -BC 145 82A 6 72,-1.1 71,-3.2 -2,-0.4 72,-1.4 -0.927 16.6-177.5-107.2 124.8 48.7 7.2 19.8 74 79 A Y E -BC 143 81A 12 7,-2.4 7,-2.1 -2,-0.5 2,-0.5 -0.801 23.7-132.8-122.7 163.9 52.1 6.7 17.8 75 80 A S E +BC 142 80A 31 67,-1.6 67,-0.6 -2,-0.2 5,-0.2 -0.920 35.5 165.8-122.5 106.0 55.4 4.9 18.2 76 81 A H + 0 0 28 3,-2.3 -2,-0.1 -2,-0.5 64,-0.0 -0.866 60.2 4.0-169.7 132.6 58.7 6.8 17.5 77 82 A S S S- 0 0 63 -2,-0.2 -1,-0.2 63,-0.0 3,-0.1 0.304 126.5 -59.7-101.7 103.8 61.8 6.5 18.0 78 83 A H S S+ 0 0 188 -3,-0.2 2,-0.3 1,-0.2 -3,-0.0 0.643 121.2 93.6 65.2 20.0 61.4 3.1 19.6 79 84 A E S S- 0 0 142 2,-0.0 -3,-2.3 0, 0.0 2,-0.2 -0.998 73.5-123.0-143.3 142.4 59.1 4.8 22.2 80 85 A E E +C 75 0A 94 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.522 32.4 164.9 -87.2 150.8 55.3 5.4 22.6 81 86 A S E -C 74 0A 50 -7,-2.1 -7,-2.4 -2,-0.2 2,-0.3 -0.961 20.2-144.7-160.9 149.0 53.6 8.8 22.9 82 87 A Q E -C 73 0A 110 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.951 4.9-163.1-127.2 145.3 50.1 10.2 22.5 83 88 A V E -C 72 0A 27 -11,-2.0 -11,-1.4 -2,-0.3 2,-0.3 -0.991 9.3-160.4-129.2 127.5 48.6 13.5 21.2 84 89 A S E -C 71 0A 72 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.779 4.6-148.2-108.8 154.1 45.0 14.7 21.8 85 90 A X E -C 70 0A 7 -15,-1.6 -15,-0.6 -2,-0.3 2,-0.1 -0.962 5.9-143.2-125.0 140.0 43.0 17.3 20.0 86 91 A T > - 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