==== 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 2ZGN . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR N.YANG,D.F.LI,D.C.WANG . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.9 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 . 140 44.3 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 . 2 0.6 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 . 2 0.6 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 . 46 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 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 . 0 0 0 2 8 8 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 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 1 A Q 0 0 143 0, 0.0 2,-0.3 0, 0.0 155,-0.2 0.000 360.0 360.0 360.0 3.1 9.6 -8.7 16.7 2 2 A G E -A 155 0A 16 153,-0.9 153,-1.9 275,-0.0 2,-0.4 -0.921 360.0-151.1-166.3 139.5 5.8 -8.9 17.1 3 3 A V E -A 154 0A 5 -2,-0.3 2,-0.4 273,-0.3 151,-0.2 -0.873 14.4-174.5-111.0 140.5 2.7 -7.2 18.4 4 4 A N E -A 153 0A 29 149,-1.5 149,-2.4 -2,-0.4 2,-0.4 -0.998 7.6-156.8-136.2 138.5 -0.5 -8.8 19.7 5 5 A I E -A 152 0A 28 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.947 10.2-179.0-118.7 133.6 -3.8 -7.2 20.7 6 6 A Y E -A 151 0A 25 145,-2.4 145,-2.9 -2,-0.4 2,-0.7 -0.988 18.7-152.1-136.1 128.9 -6.4 -8.7 23.1 7 7 A N E -A 150 0A 112 -2,-0.4 2,-0.6 143,-0.2 143,-0.2 -0.879 20.3-164.5 -96.2 117.5 -9.7 -7.3 24.2 8 8 A I E -A 149 0A 1 141,-3.2 141,-2.4 -2,-0.7 2,-0.2 -0.918 8.6-145.2-110.3 113.8 -10.4 -8.8 27.6 9 9 A S E > -A 148 0A 63 -2,-0.6 3,-1.9 139,-0.2 127,-0.3 -0.513 40.9 -82.7 -75.9 142.8 -13.9 -8.5 28.8 10 10 A A T 3 S+ 0 0 31 137,-2.3 127,-0.2 1,-0.3 -1,-0.1 -0.179 116.5 16.4 -48.5 124.0 -14.3 -8.0 32.6 11 11 A G T 3 S+ 0 0 44 125,-2.6 -1,-0.3 1,-0.3 126,-0.2 0.571 108.0 100.8 89.2 10.2 -14.1 -11.3 34.4 12 12 A T E < -F 136 0B 65 -3,-1.9 124,-1.7 124,-0.9 -1,-0.3 -0.659 55.5-139.3-121.1 179.7 -12.6 -13.3 31.5 13 13 A S E -F 135 0B 68 122,-0.2 2,-0.3 -2,-0.2 122,-0.2 -0.806 8.0-149.7-132.0 171.6 -9.3 -14.7 30.4 14 14 A V E -F 134 0B 31 120,-2.4 120,-2.2 -2,-0.3 2,-0.4 -0.992 12.5-132.7-149.8 138.4 -7.3 -15.0 27.1 15 15 A D E -F 133 0B 129 -2,-0.3 2,-0.3 118,-0.2 118,-0.2 -0.724 30.1-124.4 -88.8 138.0 -4.7 -17.4 25.7 16 16 A L E - 0 0 21 116,-2.3 -1,-0.0 -2,-0.4 -10,-0.0 -0.645 7.3-153.1 -86.5 136.1 -1.7 -15.9 24.0 17 17 A A E S+ 0 0 87 -2,-0.3 -1,-0.2 1,-0.3 115,-0.0 0.830 97.8 31.2 -71.8 -31.0 -0.8 -16.7 20.5 18 18 A A E S- 0 0 24 -3,-0.1 -1,-0.3 -16,-0.0 -14,-0.0 -0.988 94.1-128.2-128.5 119.1 2.7 -15.9 21.5 19 19 A P E - 0 0 63 0, 0.0 2,-0.6 0, 0.0 113,-0.2 -0.245 19.0-121.8 -64.6 154.3 3.8 -16.5 25.1 20 20 A V E +F 131 0B 2 111,-2.8 111,-2.8 135,-0.1 2,-0.2 -0.875 43.6 160.1 -99.8 125.7 5.5 -13.8 27.1 21 21 A T > - 0 0 62 -2,-0.6 3,-2.6 109,-0.2 85,-0.2 -0.724 47.1 -33.4-132.2-175.7 8.9 -14.7 28.4 22 22 A T T 3 S+ 0 0 69 1,-0.3 136,-0.3 -2,-0.2 85,-0.2 -0.093 128.4 16.8 -44.7 123.0 12.1 -13.1 29.7 23 23 A G T 3 S+ 0 0 34 83,-3.9 -1,-0.3 1,-0.3 84,-0.1 0.338 102.3 115.5 93.9 -7.5 12.7 -9.7 28.0 24 24 A D < - 0 0 6 -3,-2.6 82,-2.3 82,-0.2 2,-0.3 -0.381 52.2-139.0 -91.0 171.6 9.1 -9.4 26.7 25 25 A I E -BC 105 154A 2 129,-2.5 129,-3.0 80,-0.2 2,-0.3 -0.972 15.1-174.7-137.1 149.6 6.4 -6.8 27.6 26 26 A V E -BC 104 153A 1 78,-1.5 78,-2.6 -2,-0.3 2,-0.4 -0.985 5.8-174.0-142.5 126.9 2.7 -6.7 28.3 27 27 A T E -BC 103 152A 0 125,-2.7 125,-3.1 -2,-0.3 2,-0.5 -0.982 13.3-149.5-123.4 134.7 0.6 -3.5 28.8 28 28 A F E -BC 102 151A 3 74,-3.0 74,-2.2 -2,-0.4 2,-0.5 -0.894 15.0-153.8-102.1 129.4 -3.0 -3.5 29.8 29 29 A F E -BC 101 150A 29 121,-3.2 121,-2.4 -2,-0.5 2,-0.4 -0.912 9.9-171.6-110.6 127.6 -5.0 -0.5 28.5 30 30 A S E -B 100 0A 7 70,-2.7 70,-1.9 -2,-0.5 119,-0.1 -0.946 17.9-155.3-115.7 136.6 -8.1 0.9 30.2 31 31 A S S S+ 0 0 91 117,-0.4 2,-0.3 -2,-0.4 116,-0.1 0.158 78.1 37.8 -93.8 18.8 -10.4 3.6 28.7 32 32 A A - 0 0 24 68,-0.1 114,-0.4 114,-0.1 2,-0.4 -0.989 58.7-153.2-163.0 157.3 -11.6 4.7 32.1 33 33 A L + 0 0 24 -2,-0.3 2,-0.3 112,-0.2 112,-0.2 -0.979 10.4 177.5-138.6 122.7 -10.7 5.3 35.8 34 34 A N > + 0 0 69 110,-1.2 3,-1.7 -2,-0.4 111,-0.1 -0.632 11.5 163.2-128.1 72.6 -13.2 5.1 38.6 35 35 A L T 3 S+ 0 0 55 -2,-0.3 55,-0.1 1,-0.3 -1,-0.1 0.489 81.0 58.8 -66.7 -2.1 -11.2 5.7 41.8 36 36 A N T 3 S+ 0 0 162 -3,-0.1 -1,-0.3 108,-0.1 108,-0.0 -0.052 80.3 129.2-116.9 29.9 -14.6 6.3 43.3 37 37 A A < - 0 0 28 -3,-1.7 105,-0.2 1,-0.2 3,-0.1 -0.121 61.9 -79.3 -75.6 178.3 -16.1 2.9 42.5 38 38 A G - 0 0 36 103,-0.6 2,-0.3 1,-0.2 27,-0.2 0.225 64.7 -55.6 -67.6-167.6 -17.9 0.6 44.9 39 39 A A - 0 0 77 25,-0.1 -1,-0.2 1,-0.1 4,-0.1 -0.566 56.4-124.6 -75.8 130.1 -16.6 -1.7 47.6 40 40 A G - 0 0 14 2,-0.3 3,-0.3 -2,-0.3 4,-0.3 -0.249 16.5-119.4 -69.0 164.9 -14.2 -4.4 46.4 41 41 A N S S- 0 0 148 2,-1.9 -1,-0.1 1,-0.0 3,-0.1 -0.098 90.9 -65.1-113.5 38.3 -14.8 -8.1 47.0 42 42 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -2,-0.3 -0.988 142.4 62.4 -80.9 -5.8 -12.2 -7.3 48.4 43 43 A N - 0 0 43 -3,-0.3 -2,-1.9 1,-0.2 20,-0.2 -0.653 48.3-178.7 -88.0 138.2 -10.8 -6.7 44.9 44 44 A N S S+ 0 0 1 18,-2.7 95,-0.4 1,-0.4 2,-0.3 0.797 81.9 4.8 -92.9 -41.6 -12.3 -4.0 42.6 45 45 A T E -G 62 0B 0 17,-1.5 17,-3.5 98,-0.2 -1,-0.4 -0.989 62.9-178.4-144.6 147.9 -9.9 -5.0 39.9 46 46 A T E -GH 61 137B 6 91,-1.4 91,-1.8 -2,-0.3 2,-0.4 -0.991 6.6-166.0-146.1 146.5 -7.2 -7.7 39.2 47 47 A L E -GH 60 136B 1 13,-2.2 13,-2.7 -2,-0.3 2,-0.3 -0.997 18.1-169.7-131.8 134.8 -4.9 -8.4 36.3 48 48 A N E -GH 59 135B 2 87,-2.2 87,-1.4 -2,-0.4 2,-0.5 -0.937 24.4-154.8-135.4 154.3 -3.1 -11.6 36.1 49 49 A L E -GH 58 134B 1 9,-1.8 8,-1.7 -2,-0.3 9,-1.5 -0.990 26.7-167.1-121.7 118.7 -0.3 -13.4 34.1 50 50 A F E -GH 56 133B 26 83,-3.0 82,-2.0 -2,-0.5 83,-1.2 -0.730 12.6-136.5-108.0 157.9 -0.7 -17.2 34.1 51 51 A A > - 0 0 8 4,-1.7 3,-1.7 -2,-0.3 80,-0.2 -0.476 40.5 -91.5 -99.3 176.2 1.6 -20.0 33.1 52 52 A E T 3 S+ 0 0 147 78,-0.5 79,-0.1 1,-0.3 -1,-0.1 0.927 126.4 52.2 -54.4 -50.6 0.7 -23.1 31.1 53 53 A N T 3 S- 0 0 102 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.492 122.7-104.7 -67.4 -2.5 -0.2 -25.2 34.1 54 54 A G < + 0 0 35 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.458 68.3 153.3 93.3 0.5 -2.5 -22.4 35.3 55 55 A A - 0 0 0 1,-0.1 -4,-1.7 -5,-0.1 2,-1.1 -0.279 52.8-113.0 -64.3 149.8 -0.2 -21.1 38.1 56 56 A Y E +GI 50 74B 47 18,-2.7 18,-1.3 1,-0.2 3,-0.2 -0.749 36.5 175.5 -85.9 96.9 -0.4 -17.5 39.1 57 57 A L E S+ 0 0 0 -8,-1.7 2,-0.4 -2,-1.1 69,-0.4 0.960 76.6 3.0 -66.5 -50.2 2.9 -16.0 37.9 58 58 A L E -G 49 0B 0 -9,-1.5 -9,-1.8 -3,-0.2 2,-0.6 -0.984 65.2-164.2-142.2 128.5 1.8 -12.5 39.0 59 59 A H E -GI 48 72B 16 13,-2.2 13,-0.9 -2,-0.4 2,-0.7 -0.939 7.2-170.0-115.5 109.9 -1.4 -11.5 40.7 60 60 A I E -GI 47 71B 1 -13,-2.7 -13,-2.2 -2,-0.6 2,-0.5 -0.876 9.4-179.5-104.5 108.3 -2.2 -7.7 40.6 61 61 A A E -GI 46 70B 0 9,-2.5 9,-2.2 -2,-0.7 2,-0.5 -0.927 13.8-158.9-116.4 122.0 -5.1 -6.7 42.8 62 62 A F E -GI 45 69B 0 -17,-3.5 -18,-2.7 -2,-0.5 -17,-1.5 -0.843 12.1-179.0 -98.8 125.1 -6.5 -3.2 43.2 63 63 A R E > - I 0 68B 37 5,-2.2 5,-2.0 -2,-0.5 26,-0.2 -0.927 12.4-177.1-129.6 109.2 -8.5 -2.5 46.4 64 64 A L T > 5S+ 0 0 26 -2,-0.5 3,-1.1 3,-0.2 25,-0.2 0.962 86.0 45.8 -66.5 -55.8 -10.0 0.9 47.0 65 65 A Q T 3 5S+ 0 0 93 1,-0.3 -1,-0.2 -27,-0.2 -26,-0.1 0.813 120.5 41.1 -61.0 -29.8 -11.5 0.4 50.4 66 66 A E T 3 5S- 0 0 86 -24,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.483 103.3-144.5 -91.8 -5.2 -8.3 -1.2 51.6 67 67 A N T < 5 + 0 0 80 -3,-1.1 21,-1.9 1,-0.2 2,-0.3 0.893 58.9 107.2 39.0 61.1 -6.5 1.5 49.6 68 68 A V E < -IJ 63 87B 4 -5,-2.0 -5,-2.2 19,-0.3 2,-0.5 -0.979 63.2-137.5-158.1 156.6 -3.7 -0.9 48.6 69 69 A I E -IJ 62 86B 0 17,-2.1 17,-1.5 -2,-0.3 2,-0.3 -0.984 28.0-156.8-122.7 114.9 -2.5 -2.7 45.5 70 70 A I E -IJ 61 85B 12 -9,-2.2 -9,-2.5 -2,-0.5 2,-0.4 -0.653 9.8-167.3 -97.0 150.2 -1.4 -6.3 46.3 71 71 A F E +IJ 60 84B 1 13,-2.0 13,-2.7 -2,-0.3 2,-0.3 -0.997 25.6 130.1-134.1 135.5 1.0 -8.6 44.3 72 72 A N E -I 59 0B 9 -13,-0.9 -13,-2.2 -2,-0.4 2,-0.3 -0.963 32.3-143.0-168.1-179.9 1.5 -12.3 44.8 73 73 A S E - 0 0 0 -2,-0.3 8,-2.5 -15,-0.2 2,-0.3 -0.873 11.4-175.1-146.7 176.6 1.6 -15.7 43.2 74 74 A R E -I 56 0B 73 -18,-1.3 -18,-2.7 -2,-0.3 6,-0.1 -0.856 31.2 -98.8-179.0 143.8 0.6 -19.3 43.8 75 75 A Q > - 0 0 92 4,-0.5 3,-1.6 -2,-0.3 -21,-0.0 -0.171 54.1 -89.0 -62.5 160.2 0.9 -22.8 42.4 76 76 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.802 122.2 8.1 -40.7 -44.3 -2.1 -24.2 40.3 77 77 A D T 3 S+ 0 0 164 2,-0.1 -2,-0.1 -22,-0.0 -22,-0.0 -0.026 113.9 96.2-134.0 34.4 -3.9 -25.7 43.3 78 78 A G S < S- 0 0 22 -3,-1.6 2,-0.1 1,-0.1 3,-0.1 -0.459 75.2 -78.6-113.5-174.4 -1.8 -24.3 46.2 79 79 A P - 0 0 102 0, 0.0 -4,-0.5 0, 0.0 -1,-0.1 -0.343 54.4 -86.4 -82.3 164.9 -2.0 -21.4 48.7 80 80 A W - 0 0 108 -6,-0.1 -6,-0.2 1,-0.1 3,-0.1 -0.471 45.6-141.8 -70.3 143.6 -1.0 -17.8 48.1 81 81 A L - 0 0 66 -8,-2.5 2,-0.7 1,-0.2 -1,-0.1 0.292 50.7 -36.5 -84.6-146.0 2.7 -17.2 48.6 82 82 A V - 0 0 98 -10,-0.0 2,-0.2 1,-0.0 -1,-0.2 -0.702 67.1-146.5 -82.5 115.3 4.4 -14.1 50.2 83 83 A E - 0 0 76 -2,-0.7 2,-0.3 -3,-0.1 -11,-0.2 -0.568 4.6-148.1 -89.0 145.7 2.4 -11.0 49.1 84 84 A Q E -J 71 0B 87 -13,-2.7 -13,-2.0 -2,-0.2 2,-0.4 -0.778 15.7-148.9-104.4 152.6 3.9 -7.6 48.4 85 85 A R E -J 70 0B 134 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.965 19.4-174.7-133.1 144.9 2.0 -4.3 49.1 86 86 A V E -J 69 0B 23 -17,-1.5 -17,-2.1 -2,-0.4 6,-0.1 -0.944 24.5-146.1-134.9 109.0 1.8 -0.8 47.7 87 87 A S E +J 68 0B 89 -2,-0.4 -19,-0.3 -19,-0.2 -20,-0.1 -0.280 65.9 39.7 -76.4 161.2 -0.5 1.6 49.6 88 88 A D > - 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