==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 13-JUN-07 2Z49 . COMPND 2 MOLECULE: HEMOLYTIC LECTIN CEL-III; . SOURCE 2 ORGANISM_SCIENTIFIC: CUCUMARIA ECHINATA; . AUTHOR T.HATAKEYAMA,H.UNNO,S.ETO,H.HIDEMURA,T.UCHIDA,Y.KOUZUMA . 863 2 24 24 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 297 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 23 13 10 19 4 1 0 2 2 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 . 4 3 0 2 2 2 2 0 1 0 1 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 X 0 0 147 0, 0.0 2,-0.5 0, 0.0 363,-0.2 0.000 360.0 360.0 360.0 -13.0 -4.1 11.0 35.2 2 2 A V - 0 0 30 58,-0.1 3,-0.1 361,-0.1 361,-0.0 -0.936 360.0-152.0-128.3 110.2 -6.0 10.3 32.0 3 3 A L - 0 0 49 -2,-0.5 2,-0.7 1,-0.1 57,-0.0 -0.078 44.9 -78.7 -60.8 170.9 -4.4 8.5 29.0 4 4 A a - 0 0 16 1,-0.2 -1,-0.1 399,-0.0 398,-0.1 -0.718 47.3-178.9 -76.6 112.2 -5.7 9.2 25.4 5 5 A T S S+ 0 0 2 -2,-0.7 399,-2.5 1,-0.2 -1,-0.2 0.565 76.1 47.7 -90.1 -14.3 -8.9 7.0 25.2 6 6 A N S S+ 0 0 23 397,-0.2 44,-2.5 411,-0.1 -1,-0.2 -0.456 76.8 172.8-123.3 61.4 -9.7 8.0 21.5 7 7 A P E -A 49 0A 10 0, 0.0 411,-0.6 0, 0.0 42,-0.3 -0.340 20.6-166.8 -68.7 153.4 -6.4 7.5 19.7 8 8 A L E - 0 0 19 40,-3.9 2,-0.3 1,-0.4 41,-0.2 0.627 69.9 -2.7-107.7 -25.6 -6.3 7.8 15.9 9 9 A D E -A 48 0A 31 39,-1.1 39,-2.9 339,-0.1 -1,-0.4 -0.945 54.0-161.2-167.1 144.3 -2.8 6.4 15.1 10 10 A I E +A 47 0A 8 334,-0.3 2,-0.3 -2,-0.3 37,-0.2 -0.989 46.0 78.2-134.2 125.4 0.2 5.0 17.0 11 11 A G E S-A 46 0A 1 35,-2.1 35,-2.6 -2,-0.4 2,-0.1 -0.963 81.5 -31.2 166.8-172.3 3.7 4.7 15.5 12 12 A E - 0 0 10 -2,-0.3 135,-2.6 135,-0.2 2,-0.6 -0.428 50.8-143.6 -67.2 135.3 6.9 6.5 14.6 13 13 A L E -C 146 0B 3 31,-0.5 9,-3.0 9,-0.3 2,-0.3 -0.934 28.9-168.0-101.4 116.3 6.2 10.1 13.6 14 14 A R E -CD 145 21B 7 131,-3.3 131,-2.1 -2,-0.6 2,-0.4 -0.804 25.7-112.3-116.1 148.3 8.7 10.9 10.8 15 15 A S E > -C 144 0B 0 5,-2.5 4,-2.0 -2,-0.3 129,-0.2 -0.603 16.8-147.9 -70.4 123.2 10.0 13.9 8.9 16 16 A F T 4 S+ 0 0 27 127,-2.8 125,-0.2 -2,-0.4 -1,-0.2 0.896 98.0 50.5 -53.5 -38.8 8.8 13.9 5.3 17 17 A K T 4 S+ 0 0 94 123,-0.7 -1,-0.1 126,-0.5 124,-0.1 0.976 130.2 9.7 -66.1 -60.5 12.1 15.7 4.5 18 18 A S T 4 S- 0 0 33 109,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.626 88.0-130.5 -98.9 -17.2 14.8 13.6 6.2 19 19 A K < + 0 0 75 -4,-2.0 -3,-0.1 1,-0.3 2,-0.1 0.480 60.3 142.5 67.6 8.6 12.7 10.5 7.2 20 20 A Q - 0 0 50 107,-0.3 -5,-2.5 1,-0.1 -1,-0.3 -0.368 55.3-101.8 -70.1 156.9 14.2 10.8 10.7 21 21 A b E -DE 14 36B 1 15,-2.0 15,-1.7 -7,-0.2 2,-0.7 -0.518 24.8-116.3 -78.3 145.4 12.0 10.1 13.7 22 22 A V E - E 0 35B 2 -9,-3.0 2,-0.4 13,-0.2 -9,-0.3 -0.759 49.3-163.5 -76.1 117.9 10.5 12.9 15.9 23 23 A D E - E 0 34B 15 11,-3.1 11,-2.3 -2,-0.7 2,-0.4 -0.924 27.2-149.7-123.1 131.4 12.3 12.1 19.1 24 24 A I E - E 0 33B 1 -2,-0.4 9,-0.2 9,-0.2 5,-0.1 -0.786 46.3 -99.5 -86.5 136.4 11.9 13.0 22.8 25 25 A V S S- 0 0 88 7,-2.2 3,-0.4 -2,-0.4 5,-0.4 -0.267 88.2 -4.0 -62.8 140.1 15.3 13.1 24.5 26 26 A G S S- 0 0 49 1,-0.2 -2,-0.1 2,-0.1 17,-0.1 -0.417 97.8 -79.2 74.6-151.3 16.2 9.9 26.5 27 27 A N S S+ 0 0 89 -2,-0.1 16,-0.2 16,-0.1 -1,-0.2 0.288 105.9 86.1-130.3 6.6 13.6 7.1 26.8 28 28 A Q S S- 0 0 129 -3,-0.4 -2,-0.1 2,-0.2 3,-0.1 0.541 96.0-115.1 -90.3 -9.6 11.2 8.3 29.5 29 29 A G S S+ 0 0 0 -4,-0.3 2,-0.3 1,-0.3 32,-0.2 0.650 81.3 98.4 85.3 15.2 8.9 10.3 27.2 30 30 A S + 0 0 37 -5,-0.4 -1,-0.3 -6,-0.1 -2,-0.2 -0.967 55.6 41.8-131.5 152.3 9.6 13.8 28.7 31 31 A G E S-L 75 0C 25 44,-1.9 44,-2.9 -2,-0.3 -5,-0.0 -0.650 89.9 -2.9 113.1-171.4 12.0 16.6 27.6 32 32 A N E -L 74 0C 41 42,-0.2 -7,-2.2 -2,-0.2 2,-0.4 -0.193 56.8-140.7 -60.2 145.9 13.0 18.3 24.3 33 33 A I E +E 24 0B 0 40,-1.7 98,-1.8 98,-0.3 40,-0.3 -0.909 38.4 137.8-108.2 134.7 11.7 17.1 20.9 34 34 A A E -EF 23 130B 18 -11,-2.3 -11,-3.1 -2,-0.4 96,-0.2 -0.928 56.6 -75.9-161.2 167.7 14.1 17.1 17.9 35 35 A T E +E 22 0B 18 94,-2.3 2,-0.3 -2,-0.3 -13,-0.2 -0.476 55.7 158.2 -73.1 152.2 14.8 14.7 15.0 36 36 A Y E -E 21 0B 135 -15,-1.7 -15,-2.0 -2,-0.1 3,-0.1 -0.962 48.6 -71.0-159.7 163.9 16.9 11.6 15.7 37 37 A D - 0 0 69 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.1 -0.363 59.3-104.4 -50.7 137.1 17.6 8.1 14.3 38 38 A b + 0 0 5 1,-0.1 -1,-0.1 186,-0.1 -15,-0.0 -0.591 45.5 176.5 -67.7 127.6 14.6 5.8 14.7 39 39 A D - 0 0 52 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.422 41.2-115.4-126.3 2.7 15.5 3.5 17.6 40 40 A G + 0 0 47 1,-0.3 2,-0.1 184,-0.1 -2,-0.1 0.406 66.3 138.9 84.6 -1.3 12.6 1.3 18.4 41 41 A L > - 0 0 79 1,-0.1 3,-1.6 3,-0.0 -1,-0.3 -0.412 64.1-114.9 -81.3 154.6 12.0 2.7 21.9 42 42 A S G > S+ 0 0 50 1,-0.3 3,-1.2 2,-0.2 15,-1.1 0.730 110.1 65.5 -65.0 -23.4 8.4 3.3 23.2 43 43 A D G 3 S+ 0 0 0 1,-0.3 -1,-0.3 14,-0.2 -19,-0.1 0.770 98.0 55.8 -68.3 -26.2 8.9 7.1 23.5 44 44 A Q G < S+ 0 0 2 -3,-1.6 2,-1.2 -21,-0.1 -31,-0.5 0.445 82.5 95.8 -83.7 -3.5 9.2 7.2 19.7 45 45 A Q S < S- 0 0 23 -3,-1.2 12,-1.8 -4,-0.2 2,-0.3 -0.787 70.9-160.5 -85.5 98.1 5.8 5.5 19.4 46 46 A I E -AB 11 56A 0 -35,-2.6 -35,-2.1 -2,-1.2 2,-0.6 -0.609 8.9-144.6 -88.9 143.1 3.8 8.7 19.0 47 47 A I E -AB 10 55A 21 8,-2.6 8,-2.4 -2,-0.3 2,-0.9 -0.941 0.8-154.7-109.5 116.8 0.1 8.7 19.7 48 48 A I E -AB 9 54A 24 -39,-2.9 -40,-3.9 -2,-0.6 -39,-1.1 -0.832 25.5-152.3 -88.1 104.9 -2.1 10.9 17.5 49 49 A a E > -A 7 0A 5 4,-2.1 3,-2.1 -2,-0.9 -39,-0.0 -0.633 19.8-134.7 -88.7 138.6 -5.0 11.5 19.9 50 50 A G T 3 S+ 0 0 7 -44,-2.5 -1,-0.1 -2,-0.3 -2,-0.0 0.732 105.1 65.7 -61.2 -21.4 -8.6 12.2 18.7 51 51 A D T 3 S- 0 0 39 -45,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.449 122.8-102.6 -79.5 -0.6 -8.7 15.0 21.3 52 52 A G S < S+ 0 0 14 -3,-2.1 38,-2.0 1,-0.4 -2,-0.1 0.132 84.0 121.0 103.0 -18.7 -6.0 16.9 19.4 53 53 A T - 0 0 1 36,-0.2 -4,-2.1 -5,-0.1 2,-0.5 -0.309 54.2-142.8 -75.1 157.2 -3.1 16.1 21.7 54 54 A I E +B 48 0A 7 34,-0.3 9,-2.7 9,-0.3 -6,-0.2 -0.991 33.8 160.6-122.2 120.3 0.0 14.3 20.6 55 55 A R E -B 47 0A 4 -8,-2.4 -8,-2.6 -2,-0.5 2,-0.3 -0.397 25.9-129.9-123.9-166.3 1.4 11.9 23.2 56 56 A N E -B 46 0A 4 3,-0.7 -10,-0.2 5,-0.3 5,-0.2 -0.966 21.9-115.4-151.5 162.9 3.7 8.8 23.3 57 57 A E S S+ 0 0 44 -12,-1.8 -14,-0.2 -15,-1.1 3,-0.1 0.546 106.3 63.1 -81.8 -9.5 3.8 5.3 24.7 58 58 A A S S- 0 0 35 -16,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.904 120.3 -4.2 -78.1 -41.0 6.7 5.9 27.2 59 59 A R S S- 0 0 113 -30,-0.1 2,-2.4 -17,-0.1 -3,-0.7 -0.995 71.6-106.7-155.3 147.0 4.7 8.4 29.2 60 60 A N S S+ 0 0 56 -2,-0.3 18,-0.6 -3,-0.1 2,-0.2 -0.310 73.1 130.4 -72.9 55.2 1.4 10.2 29.2 61 61 A Y E -M 77 0C 48 -2,-2.4 -5,-0.3 -32,-0.2 2,-0.3 -0.740 48.5-128.6-108.6 162.9 2.9 13.6 28.2 62 62 A c E -M 76 0C 0 14,-3.5 14,-2.6 -2,-0.2 2,-0.3 -0.843 22.2-106.7-117.1 143.1 1.9 16.0 25.5 63 63 A F E -M 75 0C 0 -9,-2.7 -9,-0.3 -2,-0.3 12,-0.2 -0.560 54.0-179.9 -61.8 124.6 3.7 17.8 22.6 64 64 A T E -M 74 0C 22 10,-2.9 10,-2.3 -2,-0.3 2,-0.3 -0.993 31.6-131.3-141.0 123.7 3.8 21.3 24.1 65 65 A P E -M 73 0C 15 0, 0.0 2,-1.9 0, 0.0 8,-0.2 -0.618 25.8-130.4 -72.7 134.1 5.1 24.6 22.8 66 66 A D S S- 0 0 120 6,-3.4 6,-0.4 -2,-0.3 2,-0.2 -0.482 73.3 -38.9 -84.4 65.8 7.2 26.3 25.5 67 67 A G S S- 0 0 50 -2,-1.9 4,-0.2 4,-0.1 2,-0.1 -0.611 88.0 -41.6 116.0-171.9 5.4 29.6 25.2 68 68 A S S S+ 0 0 119 -2,-0.2 -2,-0.0 2,-0.1 2,-0.0 -0.326 94.3 19.5 -88.9 173.3 4.0 31.9 22.5 69 69 A G S S- 0 0 36 1,-0.1 2,-1.6 -2,-0.1 64,-0.1 -0.282 125.1 -10.9 70.1-152.8 5.3 32.9 19.0 70 70 A N S S+ 0 0 81 62,-0.1 2,-0.2 -5,-0.0 64,-0.1 -0.635 94.9 166.0 -77.1 85.8 8.0 30.8 17.3 71 71 A A - 0 0 15 -2,-1.6 62,-2.7 -4,-0.2 -4,-0.1 -0.553 40.6 -94.2-106.4 165.6 8.7 28.6 20.4 72 72 A N B -G 132 0B 53 -6,-0.4 -6,-3.4 60,-0.2 2,-0.4 -0.435 36.3-135.8 -69.0 149.3 10.5 25.4 21.2 73 73 A V E + M 0 65C 0 58,-2.1 -40,-1.7 -40,-0.3 2,-0.3 -0.948 31.2 162.9-112.6 135.0 8.4 22.2 21.3 74 74 A M E -LM 32 64C 57 -10,-2.3 -10,-2.9 -2,-0.4 2,-0.7 -0.880 44.9-100.7-138.9 166.5 8.9 19.7 24.1 75 75 A S E +LM 31 63C 3 -44,-2.9 -44,-1.9 -2,-0.3 -12,-0.2 -0.873 56.8 159.5 -95.6 113.4 7.0 16.8 25.7 76 76 A S E - M 0 62C 35 -14,-2.6 -14,-3.5 -2,-0.7 -2,-0.0 -0.778 47.4 -63.9-131.3 164.8 5.4 18.1 28.9 77 77 A P E - M 0 61C 75 0, 0.0 2,-0.4 0, 0.0 -16,-0.2 -0.233 56.5-117.0 -49.0 139.1 2.6 17.2 31.3 78 78 A c - 0 0 16 -18,-0.6 2,-0.7 -3,-0.1 -14,-0.0 -0.699 17.1-138.8 -79.6 132.4 -0.9 17.3 29.6 79 79 A T + 0 0 72 -2,-0.4 9,-0.1 1,-0.2 -1,-0.0 -0.860 35.0 160.8 -92.8 111.0 -3.3 20.0 31.0 80 80 A L + 0 0 31 -2,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.662 35.9 99.6-105.5 -22.3 -6.6 18.2 31.0 81 81 A Y S S+ 0 0 198 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 -0.975 94.3 2.1-131.7 137.8 -8.7 20.3 33.5 82 82 A P S S- 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.947 141.4 -39.7 -64.8 -27.8 -10.8 22.4 33.2 83 83 A E - 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