==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAR-10 3M3C . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR L.FENG,D.LI,D.WANG . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 73.3 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 . 144 45.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 45 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 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 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 2 6 10 0 2 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 0 0 0 3 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 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 0 A M 0 0 144 0, 0.0 2,-0.3 0, 0.0 157,-0.1 0.000 360.0 360.0 360.0 131.6 -1.7 3.0 5.6 2 1 A Q + 0 0 41 156,-0.1 2,-0.3 155,-0.1 155,-0.2 -0.579 360.0 175.4 -78.9 139.5 0.2 2.7 2.3 3 2 A G E -A 156 0A 17 153,-2.1 153,-2.0 -2,-0.3 2,-0.4 -0.967 28.5-140.2-146.0 161.3 -0.7 -0.3 0.3 4 3 A V E -A 155 0A 3 274,-0.4 2,-0.4 -2,-0.3 151,-0.2 -0.985 19.7-175.1-123.0 130.2 -0.2 -2.1 -3.0 5 4 A N E -A 154 0A 30 149,-1.9 149,-2.4 -2,-0.4 2,-0.4 -0.966 8.0-155.7-126.4 144.2 -3.0 -3.8 -4.9 6 5 A I E -A 153 0A 26 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.974 10.4-176.6-125.6 132.5 -2.7 -5.8 -8.1 7 6 A Y E -A 152 0A 29 145,-3.2 145,-3.0 -2,-0.4 2,-0.6 -0.977 20.7-147.1-131.4 141.6 -5.4 -6.5 -10.7 8 7 A N E -A 151 0A 102 -2,-0.4 2,-0.6 143,-0.2 143,-0.2 -0.926 22.7-167.7-103.2 115.9 -5.5 -8.6 -13.9 9 8 A I E -A 150 0A 0 141,-3.3 141,-2.6 -2,-0.6 2,-0.2 -0.898 7.8-151.1-113.3 110.1 -7.8 -6.8 -16.3 10 9 A S E > -A 149 0A 59 -2,-0.6 3,-1.6 139,-0.2 127,-0.3 -0.520 40.3 -86.1 -75.4 142.5 -8.9 -8.7 -19.4 11 10 A A T 3 S+ 0 0 14 137,-2.7 127,-0.3 1,-0.3 -1,-0.1 -0.175 116.9 22.3 -47.6 131.7 -9.7 -6.6 -22.5 12 11 A G T 3 S+ 0 0 46 125,-2.6 2,-0.3 1,-0.3 -1,-0.3 0.612 107.2 99.6 84.0 12.6 -13.2 -5.4 -22.4 13 12 A T E < -F 137 0B 60 -3,-1.6 124,-2.0 124,-1.1 -1,-0.3 -0.827 54.0-149.5-128.1 168.0 -13.6 -5.7 -18.7 14 13 A S E -F 136 0B 78 -2,-0.3 2,-0.3 122,-0.2 122,-0.3 -0.884 6.6-150.5-131.7 162.9 -13.5 -3.5 -15.6 15 14 A V E -F 135 0B 28 120,-2.7 120,-2.1 -2,-0.3 2,-0.5 -0.997 15.4-129.2-138.1 140.6 -12.5 -4.0 -11.9 16 15 A D E -F 134 0B 128 -2,-0.3 118,-0.3 118,-0.2 2,-0.2 -0.781 35.0-119.1 -88.9 129.7 -13.6 -2.4 -8.7 17 16 A L E - 0 0 18 116,-2.5 -1,-0.0 -2,-0.5 -10,-0.0 -0.478 10.4-153.5 -72.4 132.6 -10.7 -1.2 -6.6 18 17 A A E S+ 0 0 83 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.797 97.5 32.6 -71.6 -27.4 -10.2 -2.7 -3.1 19 18 A A E S- 0 0 20 -16,-0.0 -1,-0.3 -3,-0.0 -14,-0.1 -0.955 94.7-130.1-131.3 111.9 -8.5 0.5 -2.3 20 19 A P E - 0 0 63 0, 0.0 2,-0.6 0, 0.0 137,-0.2 -0.170 17.5-123.9 -60.5 153.5 -9.7 3.7 -4.1 21 20 A V E +F 132 0B 2 111,-2.6 111,-3.1 135,-0.1 2,-0.2 -0.889 42.9 154.7-103.4 120.4 -7.2 6.0 -5.8 22 21 A T > - 0 0 68 -2,-0.6 3,-2.5 109,-0.2 85,-0.3 -0.563 50.8 -31.9-128.2-166.8 -7.3 9.6 -4.7 23 22 A T T 3 S+ 0 0 70 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.254 129.3 19.6 -54.3 129.2 -5.0 12.6 -4.5 24 23 A G T 3 S+ 0 0 31 83,-3.3 -1,-0.3 1,-0.3 84,-0.1 0.205 101.6 117.5 94.8 -14.7 -1.4 11.5 -4.0 25 24 A D < - 0 0 4 -3,-2.5 82,-2.3 82,-0.3 2,-0.3 -0.347 49.9-146.1 -85.7 166.3 -2.0 8.0 -5.3 26 25 A I E -BC 106 155A 1 129,-2.2 129,-2.8 80,-0.2 2,-0.4 -0.972 11.7-173.5-135.3 146.3 -0.6 6.1 -8.3 27 26 A V E -BC 105 154A 0 78,-1.9 78,-3.2 -2,-0.3 2,-0.4 -0.997 6.5-171.1-138.5 132.0 -1.9 3.5 -10.7 28 27 A T E -BC 104 153A 0 125,-2.5 125,-2.5 -2,-0.4 2,-0.5 -0.992 9.4-153.1-127.0 133.6 0.3 1.8 -13.4 29 28 A F E -BC 103 152A 3 74,-3.0 74,-2.2 -2,-0.4 2,-0.4 -0.890 11.9-157.2-104.4 133.6 -1.0 -0.4 -16.2 30 29 A F E -BC 102 151A 28 121,-3.5 121,-2.2 -2,-0.5 2,-0.4 -0.931 7.2-170.1-115.2 132.3 1.3 -3.1 -17.6 31 30 A S E -BC 101 150A 6 70,-2.9 70,-2.0 -2,-0.4 119,-0.1 -0.970 17.7-155.2-119.5 133.6 1.1 -4.7 -21.0 32 31 A S S S+ 0 0 92 117,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.233 82.2 46.7 -88.4 13.9 3.2 -7.7 -22.0 33 32 A A - 0 0 20 68,-0.1 114,-0.4 114,-0.1 2,-0.3 -0.989 58.1-160.5-151.4 156.2 2.8 -6.6 -25.6 34 33 A L - 0 0 29 -2,-0.3 2,-1.0 112,-0.2 65,-0.3 -0.818 14.3-178.3-141.1 96.7 3.0 -3.5 -27.9 35 34 A N > + 0 0 59 110,-2.6 3,-1.3 -2,-0.3 111,-0.1 -0.688 15.5 161.9-101.6 81.6 1.1 -4.0 -31.1 36 35 A L T 3 S+ 0 0 71 -2,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.454 76.7 64.4 -76.8 2.0 1.6 -0.8 -33.2 37 36 A N T 3 + 0 0 137 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.033 65.5 114.1-109.5 21.7 0.6 -2.9 -36.2 38 37 A A < - 0 0 17 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.675 66.7-150.0 -67.3 -18.7 -2.9 -3.4 -34.8 39 38 A G - 0 0 40 -3,-0.3 26,-0.3 -4,-0.1 27,-0.2 -0.345 46.7 -1.1 81.2-164.3 -4.4 -1.4 -37.6 40 39 A A - 0 0 62 25,-0.1 4,-0.1 -3,-0.1 24,-0.0 -0.349 64.7-149.4 -67.1 136.4 -7.6 0.7 -37.4 41 40 A G - 0 0 14 2,-0.7 3,-0.3 -2,-0.1 4,-0.2 -0.013 33.8 -94.6 -86.8-162.7 -9.6 0.9 -34.2 42 41 A N S S- 0 0 121 2,-1.8 3,-0.1 101,-0.1 22,-0.0 -0.195 99.9 -58.5-135.0 50.2 -13.3 1.3 -33.9 43 42 A P S S+ 0 0 54 0, 0.0 -2,-0.7 0, 0.0 23,-0.4 -0.988 142.1 51.1 -87.3 -17.9 -12.3 4.1 -33.6 44 43 A N - 0 0 30 -3,-0.3 -2,-1.8 1,-0.1 20,-0.2 -0.512 54.8-162.6 -81.1 148.0 -10.0 3.3 -30.6 45 44 A N S S- 0 0 1 18,-2.9 95,-0.4 1,-0.4 2,-0.3 0.799 80.5 -0.9 -91.6 -38.4 -7.6 0.4 -30.5 46 45 A T E -G 63 0B 0 17,-1.3 17,-3.0 98,-0.2 -1,-0.4 -0.987 62.2-168.5-153.8 140.4 -7.2 0.5 -26.7 47 46 A T E -GH 62 138B 6 91,-1.9 91,-2.1 -2,-0.3 2,-0.4 -0.994 5.2-164.4-134.3 142.5 -8.6 2.5 -23.8 48 47 A L E -GH 61 137B 0 13,-2.2 13,-2.9 -2,-0.4 2,-0.3 -0.995 21.1-170.1-122.8 129.5 -7.6 2.7 -20.2 49 48 A N E -GH 60 136B 3 87,-2.3 87,-1.6 -2,-0.4 2,-0.5 -0.943 24.0-157.5-130.7 147.1 -10.1 4.3 -17.9 50 49 A L E -GH 59 135B 1 9,-2.4 8,-1.9 -2,-0.3 9,-1.6 -0.990 26.0-160.8-117.7 121.6 -10.4 5.5 -14.3 51 50 A F E -GH 57 134B 24 83,-3.2 82,-2.7 -2,-0.5 83,-1.3 -0.814 13.4-134.0-109.9 148.4 -14.0 5.7 -13.0 52 51 A A > - 0 0 9 4,-2.3 3,-2.2 -2,-0.3 80,-0.2 -0.433 40.4-100.0 -85.2 167.2 -15.6 7.6 -10.2 53 52 A E T 3 S+ 0 0 158 78,-0.5 -1,-0.1 1,-0.3 79,-0.1 0.821 124.9 58.1 -60.6 -29.7 -18.1 5.6 -8.0 54 53 A N T 3 S- 0 0 104 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.389 124.4-103.5 -81.2 4.5 -21.0 7.2 -9.9 55 54 A G S < S+ 0 0 34 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.519 70.3 150.2 88.8 4.4 -19.6 5.7 -13.1 56 55 A A - 0 0 0 1,-0.1 -4,-2.3 20,-0.0 2,-1.2 -0.444 53.6-120.3 -71.6 143.3 -18.1 9.0 -14.5 57 56 A Y E +GI 51 75B 64 18,-3.0 18,-1.9 -6,-0.2 -6,-0.2 -0.752 34.4 176.3 -83.3 99.0 -15.0 8.7 -16.7 58 57 A L E S+ 0 0 0 -8,-1.9 69,-0.4 -2,-1.2 2,-0.4 0.897 76.7 9.1 -70.4 -40.3 -12.6 10.7 -14.6 59 58 A L E -G 50 0B 0 -9,-1.6 -9,-2.4 -3,-0.2 2,-0.5 -0.966 66.5-173.4-145.5 124.9 -9.8 9.9 -17.0 60 59 A H E -GI 49 73B 15 13,-2.1 13,-1.7 -2,-0.4 2,-0.6 -0.985 6.3-168.5-119.6 115.7 -10.2 8.2 -20.4 61 60 A I E -GI 48 72B 2 -13,-2.9 -13,-2.2 -2,-0.5 2,-0.5 -0.940 10.0-175.7-109.2 113.6 -7.0 7.3 -22.2 62 61 A A E -GI 47 71B 0 9,-3.0 9,-3.2 -2,-0.6 2,-0.6 -0.941 16.8-157.2-119.0 122.7 -7.5 6.3 -25.8 63 62 A F E -GI 46 70B 0 -17,-3.0 -18,-2.9 -2,-0.5 -17,-1.3 -0.858 15.6-179.6 -95.6 120.6 -4.9 5.0 -28.2 64 63 A R E >>> + I 0 69B 27 5,-2.5 5,-1.7 -2,-0.6 3,-1.4 -0.828 10.5 179.9-126.8 91.1 -6.1 5.6 -31.8 65 64 A L G >45S+ 0 0 34 -2,-0.5 3,-0.8 -26,-0.3 -25,-0.1 0.821 78.2 65.4 -59.4 -36.8 -3.5 4.4 -34.3 66 65 A Q G 345S+ 0 0 101 -23,-0.4 -1,-0.3 1,-0.3 -26,-0.1 0.670 115.6 31.2 -63.1 -17.0 -5.7 5.4 -37.4 67 66 A E G <45S- 0 0 92 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.339 106.7-126.7-118.6 0.2 -5.2 9.1 -36.3 68 67 A N T <<5 + 0 0 72 -3,-0.8 21,-1.6 -4,-0.5 2,-0.3 0.916 69.1 114.6 52.8 49.9 -1.8 8.6 -34.7 69 68 A V E < -IJ 64 88B 13 -5,-1.7 -5,-2.5 19,-0.2 2,-0.5 -0.971 62.3-137.4-145.6 159.9 -2.9 10.1 -31.4 70 69 A I E -IJ 63 87B 0 17,-2.4 17,-2.4 -2,-0.3 2,-0.4 -0.988 30.8-153.1-115.7 126.4 -3.4 9.4 -27.8 71 70 A I E -IJ 62 86B 1 -9,-3.2 -9,-3.0 -2,-0.5 2,-0.4 -0.839 12.4-168.5-107.9 140.7 -6.6 11.0 -26.5 72 71 A F E +IJ 61 85B 0 13,-2.6 13,-2.5 -2,-0.4 2,-0.3 -0.995 25.6 141.0-127.1 126.5 -7.4 12.1 -22.9 73 72 A N E -I 60 0B 3 -13,-1.7 -13,-2.1 -2,-0.4 2,-0.3 -0.927 33.0-139.4-154.2 175.5 -11.0 13.0 -22.0 74 73 A S E - 0 0 0 -2,-0.3 8,-2.2 -15,-0.2 2,-0.3 -0.893 12.9-171.0-137.6 166.5 -13.6 12.8 -19.3 75 74 A R E -I 57 0B 86 -18,-1.9 -18,-3.0 -2,-0.3 6,-0.1 -0.876 24.1-124.6-166.4 128.8 -17.4 12.2 -19.2 76 75 A Q - 0 0 76 4,-0.5 3,-0.3 -2,-0.3 -21,-0.1 -0.365 39.5-110.5 -66.6 154.3 -20.2 12.4 -16.6 77 76 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.804 119.9 28.0 -58.7 -25.6 -22.1 9.1 -16.4 78 77 A D S S+ 0 0 141 2,-0.1 -23,-0.0 0, 0.0 -2,-0.0 0.474 112.8 80.4-112.5 -6.8 -25.1 10.8 -18.0 79 78 A G S S- 0 0 16 -3,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.326 80.1 -94.1 -98.5-179.9 -23.3 13.5 -20.1 80 79 A P - 0 0 96 0, 0.0 -4,-0.5 0, 0.0 -1,-0.1 -0.449 55.8 -78.0 -86.7 163.4 -21.4 13.8 -23.4 81 80 A W - 0 0 92 -6,-0.1 -6,-0.2 -2,-0.1 3,-0.1 -0.303 53.3-142.0 -57.5 146.1 -17.7 13.4 -23.8 82 81 A L - 0 0 65 -8,-2.2 2,-0.6 1,-0.2 -1,-0.1 0.085 46.5 -34.2 -92.9-151.7 -16.0 16.6 -22.8 83 82 A V - 0 0 91 1,-0.1 -1,-0.2 -10,-0.0 2,-0.1 -0.588 61.7-136.8 -78.2 117.4 -13.0 18.4 -24.3 84 83 A E - 0 0 74 -2,-0.6 2,-0.4 -11,-0.1 -11,-0.2 -0.421 9.6-157.6 -71.3 140.0 -10.3 16.1 -25.7 85 84 A Q E -J 72 0B 91 -13,-2.5 -13,-2.6 -2,-0.1 2,-0.4 -0.957 19.7-159.1-112.9 136.1 -6.7 16.7 -25.1 86 85 A R E -J 71 0B 103 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.949 19.0-164.6-126.0 144.4 -4.5 15.0 -27.7 87 86 A V E -J 70 0B 24 -17,-2.4 -17,-2.4 -2,-0.4 2,-0.1 -0.992 22.5-146.7-122.7 120.8 -0.9 13.9 -27.9 88 87 A S E +J 69 0B 70 -2,-0.5 -19,-0.2 -19,-0.2 -20,-0.1 -0.399 65.8 45.0 -87.0 165.1 0.4 13.1 -31.4 89 88 A D > - 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