==== 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 HYDROLASE 23-JAN-08 2ZGQ . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR D.F.LI,N.YANG,D.C.WANG . 333 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 42.6 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 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 . 55 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 1 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 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 7 9 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 . 1 0 0 0 4 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 0 A M 0 0 148 0, 0.0 157,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 171.6 -4.0 8.6 -3.5 2 1 A Q + 0 0 41 155,-0.1 2,-0.3 156,-0.1 155,-0.2 -0.369 360.0 171.5 -65.4 138.3 -0.7 10.4 -4.4 3 2 A G E -A 156 0A 18 153,-1.9 153,-2.2 -2,-0.1 2,-0.4 -0.993 29.3-140.2-150.8 158.0 2.0 8.2 -5.9 4 3 A V E -A 155 0A 4 282,-0.3 2,-0.4 -2,-0.3 151,-0.2 -0.963 17.7-175.1-119.9 132.2 5.4 8.2 -7.6 5 4 A N E -A 154 0A 24 149,-1.8 149,-2.3 -2,-0.4 2,-0.4 -0.989 9.2-154.7-127.8 137.9 6.3 5.9 -10.5 6 5 A I E +A 153 0A 18 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.952 12.4 179.7-118.0 132.1 9.7 5.6 -12.0 7 6 A Y E -A 152 0A 26 145,-2.9 145,-2.6 -2,-0.4 2,-0.6 -0.970 20.0-148.8-129.6 145.7 10.5 4.5 -15.6 8 7 A N E -A 151 0A 102 -2,-0.4 2,-0.6 143,-0.2 143,-0.2 -0.937 19.4-167.1-116.1 106.0 13.8 4.1 -17.4 9 8 A I E -A 150 0A 0 141,-2.9 141,-2.9 -2,-0.6 2,-0.2 -0.846 7.0-150.7-100.2 115.2 13.2 4.8 -21.1 10 9 A S E > -A 149 0A 49 -2,-0.6 3,-1.6 139,-0.2 127,-0.3 -0.537 41.3 -78.9 -82.0 151.2 16.0 3.9 -23.4 11 10 A A T 3 S+ 0 0 24 137,-2.6 127,-0.2 1,-0.3 -1,-0.1 -0.237 119.0 17.2 -51.7 121.9 16.5 5.9 -26.6 12 11 A G T 3 S+ 0 0 45 125,-2.5 2,-0.3 1,-0.3 -1,-0.3 0.653 106.7 100.2 90.1 17.0 13.9 4.7 -29.2 13 12 A T E < -F 137 0B 65 -3,-1.6 124,-1.9 124,-1.1 -1,-0.3 -0.859 51.8-151.9-131.0 167.0 11.5 3.0 -26.8 14 13 A S E -F 136 0B 77 -2,-0.3 2,-0.3 122,-0.2 122,-0.3 -0.857 5.9-151.7-133.4 166.3 8.2 3.7 -25.1 15 14 A V E -F 135 0B 35 120,-2.8 120,-2.4 -2,-0.3 2,-0.3 -1.000 15.7-127.7-145.2 142.4 6.5 2.6 -21.9 16 15 A D E -F 134 0B 132 -2,-0.3 118,-0.3 118,-0.2 2,-0.2 -0.704 36.2-118.3 -85.6 139.0 3.0 2.2 -20.6 17 16 A L E - 0 0 20 116,-2.8 -1,-0.0 -2,-0.3 -10,-0.0 -0.547 7.1-148.8 -80.3 142.4 2.3 4.0 -17.4 18 17 A A E S+ 0 0 81 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.836 98.1 28.0 -74.3 -34.7 1.3 2.0 -14.3 19 18 A A E S- 0 0 24 -3,-0.0 -1,-0.3 -16,-0.0 -14,-0.1 -0.995 96.3-124.3-127.3 122.0 -0.7 5.0 -13.2 20 19 A P E - 0 0 67 0, 0.0 2,-0.5 0, 0.0 113,-0.2 -0.252 20.1-120.5 -65.2 155.0 -2.1 7.3 -15.9 21 20 A V E +F 132 0B 2 111,-2.3 111,-2.7 135,-0.1 2,-0.2 -0.869 44.7 157.3 -99.5 126.3 -1.2 11.0 -15.9 22 21 A T > - 0 0 55 -2,-0.5 3,-2.6 109,-0.2 85,-0.3 -0.661 47.4 -33.5-133.8-171.1 -4.2 13.3 -15.8 23 22 A T T 3 S+ 0 0 69 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.242 128.0 19.2 -53.2 126.6 -5.3 16.8 -14.8 24 23 A G T 3 S+ 0 0 33 83,-2.7 -1,-0.3 1,-0.3 84,-0.1 0.216 102.9 116.7 96.1 -11.0 -3.2 18.1 -11.9 25 24 A D < - 0 0 5 -3,-2.6 82,-2.3 82,-0.2 -1,-0.3 -0.321 49.5-147.3 -87.8 169.1 -0.5 15.5 -12.4 26 25 A I E -BC 106 155A 2 129,-2.1 129,-2.9 80,-0.2 2,-0.4 -0.990 10.6-171.2-140.4 145.5 3.2 15.9 -13.3 27 26 A V E -BC 105 154A 1 78,-2.1 78,-3.0 -2,-0.3 2,-0.4 -1.000 7.2-168.6-135.3 135.5 5.9 14.0 -15.3 28 27 A T E -BC 104 153A 0 125,-2.3 125,-2.5 -2,-0.4 2,-0.6 -0.990 10.4-152.9-127.8 130.7 9.6 14.8 -15.4 29 28 A F E -BC 103 152A 3 74,-3.1 74,-2.2 -2,-0.4 2,-0.5 -0.891 15.2-158.4-100.3 124.7 12.2 13.4 -17.7 30 29 A F E -BC 102 151A 25 121,-3.2 121,-2.4 -2,-0.6 2,-0.4 -0.911 6.4-168.3-107.5 128.8 15.7 13.3 -16.2 31 30 A S E -B 101 0A 8 70,-3.9 70,-2.1 -2,-0.5 119,-0.1 -0.927 20.3-153.6-115.5 140.2 18.7 13.2 -18.5 32 31 A S S S+ 0 0 93 117,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.175 82.9 47.3 -94.3 16.4 22.3 12.5 -17.3 33 32 A A - 0 0 17 68,-0.2 114,-0.4 114,-0.1 2,-0.2 -0.985 55.4-163.4-152.9 155.5 23.6 14.4 -20.3 34 33 A A + 0 0 21 -2,-0.3 2,-1.3 112,-0.2 65,-0.4 -0.720 16.5 177.2-142.4 82.0 23.1 17.7 -22.2 35 34 A N > + 0 0 74 110,-2.1 3,-1.2 -2,-0.2 111,-0.1 -0.663 8.5 165.4 -92.6 80.9 24.7 17.3 -25.6 36 35 A L T 3 S+ 0 0 46 -2,-1.3 -1,-0.2 1,-0.3 55,-0.1 0.399 75.5 52.4 -78.1 3.5 23.8 20.6 -27.2 37 36 A N T 3 S+ 0 0 160 -3,-0.1 -1,-0.3 108,-0.1 3,-0.1 -0.033 82.2 141.1-126.1 28.6 26.4 20.1 -29.9 38 37 A A < - 0 0 22 -3,-1.2 105,-0.2 105,-0.1 3,-0.1 -0.092 58.2 -72.6 -67.1 168.9 25.3 16.6 -31.0 39 38 A G - 0 0 33 103,-0.9 2,-0.3 1,-0.2 26,-0.2 0.234 69.0 -64.2 -51.9-178.4 25.1 15.4 -34.6 40 39 A A - 0 0 57 25,-0.1 -1,-0.2 1,-0.1 4,-0.1 -0.549 51.8-129.7 -75.6 133.4 22.6 16.5 -37.2 41 40 A G - 0 0 16 2,-0.3 3,-0.2 -2,-0.3 4,-0.2 -0.243 15.7-121.2 -73.4 170.6 19.0 15.7 -36.5 42 41 A N S S- 0 0 127 2,-1.0 -1,-0.1 -2,-0.0 3,-0.0 -0.198 91.8 -63.4-127.8 45.5 16.9 14.0 -39.1 43 42 A P S S+ 0 0 55 0, 0.0 2,-0.4 0, 0.0 -2,-0.3 -0.992 140.2 66.0 -91.6 -5.8 15.6 16.5 -38.4 44 43 A N - 0 0 36 -3,-0.2 -2,-1.0 1,-0.2 20,-0.2 -0.603 46.2-175.9 -82.0 130.5 14.9 15.6 -34.8 45 44 A N S S- 0 0 1 18,-2.7 95,-0.4 1,-0.4 2,-0.3 0.832 80.7 -4.0 -85.2 -37.5 17.7 15.1 -32.4 46 45 A T E -G 63 0B 0 17,-1.3 17,-3.4 98,-0.2 -1,-0.4 -0.989 60.3-164.7-155.8 145.4 15.3 14.0 -29.7 47 46 A T E -GH 62 138B 8 91,-1.8 91,-2.0 -2,-0.3 2,-0.4 -0.989 2.8-165.7-132.5 140.5 11.5 13.7 -29.2 48 47 A L E -GH 61 137B 0 13,-2.2 13,-2.9 -2,-0.4 2,-0.4 -0.990 20.1-171.2-123.2 134.1 9.7 13.3 -25.9 49 48 A N E -GH 60 136B 3 87,-2.2 87,-1.6 -2,-0.4 2,-0.5 -0.985 26.2-158.0-138.1 144.0 6.0 12.3 -26.2 50 49 A L E -GH 59 135B 1 9,-2.3 9,-1.6 -2,-0.4 8,-1.5 -0.979 27.2-161.6-113.7 120.3 2.9 11.8 -24.1 51 50 A F E -GH 57 134B 28 83,-3.0 82,-2.6 -2,-0.5 83,-1.5 -0.828 11.9-139.3-110.4 147.1 0.4 9.4 -25.7 52 51 A A > - 0 0 12 4,-2.1 3,-1.6 -2,-0.3 80,-0.1 -0.347 42.7 -92.8 -87.0 175.1 -3.3 8.8 -25.2 53 52 A E T 3 S+ 0 0 186 78,-0.4 -1,-0.1 1,-0.3 79,-0.1 0.866 125.3 54.0 -59.3 -38.4 -4.7 5.2 -25.2 54 53 A N T 3 S- 0 0 90 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.390 124.0-100.6 -79.5 4.6 -5.5 5.3 -28.9 55 54 A G S < S+ 0 0 33 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.410 70.6 153.3 93.8 -4.1 -1.9 6.2 -29.8 56 55 A A - 0 0 1 1,-0.1 -4,-2.1 -5,-0.1 2,-1.3 -0.279 52.5-118.1 -60.3 145.3 -2.7 9.9 -30.3 57 56 A Y E +GI 51 75B 48 18,-2.7 18,-1.3 -6,-0.2 3,-0.2 -0.742 34.3 177.9 -85.0 92.3 0.2 12.3 -29.7 58 57 A L E S+ 0 0 0 -8,-1.5 69,-0.4 -2,-1.3 2,-0.3 0.936 77.9 4.7 -61.7 -44.5 -1.2 14.3 -26.8 59 58 A L E -G 50 0B 0 -9,-1.6 -9,-2.3 -3,-0.2 2,-0.5 -0.957 67.1-171.4-145.7 123.8 2.1 16.2 -26.6 60 59 A H E -GI 49 73B 17 13,-2.6 13,-1.8 -2,-0.3 2,-0.6 -0.972 5.0-171.6-115.2 117.1 5.0 15.9 -29.0 61 60 A I E -GI 48 72B 0 -13,-2.9 -13,-2.2 -2,-0.5 2,-0.5 -0.951 7.1-173.2-112.8 112.9 8.2 17.8 -28.0 62 61 A A E -GI 47 71B 0 9,-2.7 9,-2.8 -2,-0.6 2,-0.7 -0.935 11.8-155.5-113.6 125.4 10.8 17.8 -30.7 63 62 A F E -GI 46 70B 0 -17,-3.4 -18,-2.7 -2,-0.5 -17,-1.3 -0.873 14.1-179.2 -99.7 114.3 14.3 19.1 -30.1 64 63 A R E > + I 0 69B 45 5,-2.5 5,-2.4 -2,-0.7 26,-0.2 -0.925 10.7 179.7-119.1 107.8 16.1 20.2 -33.3 65 64 A L T 5S+ 0 0 22 -2,-0.6 -1,-0.2 3,-0.2 25,-0.1 0.909 82.4 50.0 -71.2 -44.4 19.6 21.6 -33.0 66 65 A Q T 5S+ 0 0 134 -23,-0.3 -1,-0.2 1,-0.3 -22,-0.1 0.903 119.5 36.8 -62.7 -44.6 20.3 22.3 -36.7 67 66 A E T 5S- 0 0 90 -24,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.537 108.4-138.5 -81.7 -9.6 17.0 24.2 -37.1 68 67 A N T 5 + 0 0 78 -4,-0.2 21,-2.1 1,-0.2 2,-0.3 0.931 60.2 107.5 50.4 60.0 17.7 25.5 -33.6 69 68 A V E < -IJ 64 88B 1 -5,-2.4 -5,-2.5 19,-0.2 2,-0.5 -0.990 62.6-134.1-159.7 154.6 14.2 25.2 -32.3 70 69 A I E -IJ 63 87B 0 17,-2.1 17,-1.9 -2,-0.3 2,-0.5 -0.974 26.5-152.7-113.9 125.8 11.9 23.1 -30.0 71 70 A I E -IJ 62 86B 4 -9,-2.8 -9,-2.7 -2,-0.5 2,-0.5 -0.859 9.1-166.6-106.8 132.6 8.6 22.1 -31.5 72 71 A F E +IJ 61 85B 0 13,-2.8 13,-2.4 -2,-0.5 2,-0.3 -0.968 29.4 135.5-114.3 125.9 5.4 21.4 -29.6 73 72 A N E -I 60 0B 10 -13,-1.8 -13,-2.6 -2,-0.5 2,-0.3 -0.924 32.7-147.6-155.7-179.2 2.5 19.8 -31.4 74 73 A S E + 0 0 0 -2,-0.3 8,-2.2 -15,-0.2 2,-0.3 -0.933 15.2 167.5-149.4 167.7 -0.2 17.1 -31.3 75 74 A R E -I 57 0B 52 -18,-1.3 -18,-2.7 -2,-0.3 6,-0.1 -0.929 35.3-103.3-178.2 158.1 -2.1 14.7 -33.7 76 75 A Q > - 0 0 85 4,-0.4 3,-1.1 -2,-0.3 -21,-0.1 -0.495 45.1-104.0 -83.9 161.5 -4.4 11.8 -33.9 77 76 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.865 121.7 27.6 -55.4 -38.8 -2.8 8.4 -34.8 78 77 A D T 3 S+ 0 0 165 2,-0.1 -22,-0.0 0, 0.0 0, 0.0 0.253 111.7 89.9-106.7 10.6 -4.2 8.5 -38.4 79 78 A G S < S- 0 0 27 -3,-1.1 2,-0.1 1,-0.1 3,-0.1 -0.502 78.7 -95.9-106.4 174.4 -4.3 12.3 -38.7 80 79 A P - 0 0 102 0, 0.0 -4,-0.4 0, 0.0 -1,-0.1 -0.458 51.2 -87.2 -83.1 157.8 -2.0 15.1 -39.8 81 80 A W - 0 0 103 -6,-0.1 -6,-0.2 -2,-0.1 3,-0.1 -0.356 50.3-141.1 -61.0 146.6 0.2 17.1 -37.4 82 81 A L - 0 0 71 -8,-2.2 2,-0.8 1,-0.2 -1,-0.1 0.150 46.9 -34.1 -92.7-150.1 -1.8 20.0 -36.1 83 82 A V - 0 0 96 1,-0.0 -1,-0.2 -10,-0.0 2,-0.1 -0.621 66.0-143.5 -79.1 110.2 -0.8 23.7 -35.3 84 83 A E - 0 0 81 -2,-0.8 2,-0.4 -11,-0.1 -11,-0.2 -0.334 7.1-152.7 -73.3 150.4 2.8 23.7 -34.1 85 84 A Q E -J 72 0B 89 -13,-2.4 -13,-2.8 -2,-0.1 2,-0.4 -0.984 17.3-152.5-121.3 132.8 4.1 26.0 -31.5 86 85 A R E -J 71 0B 121 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.871 18.4-169.0-116.0 144.8 7.8 26.9 -31.6 87 86 A V E -J 70 0B 19 -17,-1.9 -17,-2.1 -2,-0.4 6,-0.1 -0.948 25.3-144.3-127.3 105.8 10.5 28.0 -29.1 88 87 A S E +J 69 0B 90 -2,-0.5 -19,-0.2 -19,-0.2 -20,-0.1 -0.323 66.4 37.1 -71.3 154.7 13.6 29.2 -30.8 89 88 A D > - 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