==== 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 2ZGR . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR N.YANG,D.F.LI,D.C.WANG . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 72.2 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 . 71 44.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 23 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 1 3 5 0 1 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 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 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 0 199 0, 0.0 2,-0.4 0, 0.0 155,-0.2 0.000 360.0 360.0 360.0 -36.6 3.6 11.2 -7.9 2 2 A G E -A 155 0A 24 153,-2.1 153,-2.4 2,-0.0 2,-0.4 -0.995 360.0-162.8-140.1 143.8 5.8 8.1 -7.7 3 3 A V E -A 154 0A 90 -2,-0.4 2,-0.4 151,-0.2 151,-0.2 -0.976 6.9-177.6-125.8 136.6 5.5 4.5 -6.4 4 4 A N E -A 153 0A 45 149,-1.6 149,-2.4 -2,-0.4 2,-0.4 -0.992 10.6-154.1-133.6 140.6 8.3 2.0 -5.6 5 5 A I E -A 152 0A 120 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.958 10.9-176.8-119.8 132.3 7.9 -1.6 -4.5 6 6 A Y E -A 151 0A 24 145,-3.0 145,-3.2 -2,-0.4 2,-0.7 -0.989 19.5-146.6-131.3 136.5 10.4 -3.6 -2.4 7 7 A N E -A 150 0A 116 -2,-0.4 2,-0.6 143,-0.2 143,-0.2 -0.897 22.4-169.6-101.0 112.3 10.3 -7.2 -1.3 8 8 A I E -A 149 0A 1 141,-2.9 141,-2.6 -2,-0.7 2,-0.2 -0.905 6.0-155.6-110.2 114.8 12.0 -7.4 2.1 9 9 A S E > -A 148 0A 56 -2,-0.6 3,-1.1 139,-0.2 127,-0.3 -0.564 41.7 -78.2 -84.7 150.7 12.8 -10.8 3.5 10 10 A A T 3 S+ 0 0 33 137,-2.4 127,-0.3 1,-0.2 -1,-0.1 -0.180 117.8 17.6 -48.8 127.1 13.2 -11.3 7.2 11 11 A G T 3 S+ 0 0 44 125,-2.7 2,-0.3 1,-0.3 -1,-0.2 0.742 105.6 103.3 82.0 25.3 16.6 -10.1 8.4 12 12 A T E < -F 136 0B 52 124,-1.3 124,-1.9 -3,-1.1 2,-0.3 -0.916 53.9-144.6-136.8 162.6 17.5 -7.9 5.4 13 13 A S E -F 135 0B 78 -2,-0.3 2,-0.3 122,-0.2 122,-0.3 -0.838 9.8-155.5-122.7 160.6 17.6 -4.3 4.3 14 14 A V E -F 134 0B 33 120,-2.7 120,-2.4 -2,-0.3 2,-0.4 -0.994 15.6-127.8-138.4 143.2 16.9 -2.6 1.0 15 15 A D E -F 133 0B 128 -2,-0.3 2,-0.3 118,-0.2 118,-0.3 -0.755 28.5-123.4 -92.2 136.5 18.0 0.7 -0.5 16 16 A L E - 0 0 16 116,-2.8 -1,-0.0 -2,-0.4 -10,-0.0 -0.616 10.6-158.2 -83.2 134.0 15.4 3.0 -1.8 17 17 A A E S+ 0 0 83 -2,-0.3 -1,-0.2 1,-0.3 116,-0.0 0.796 96.5 33.6 -75.1 -28.5 15.5 4.2 -5.4 18 18 A A E S- 0 0 21 -3,-0.1 -1,-0.3 114,-0.0 -14,-0.1 -0.926 92.6-137.7-127.9 104.0 13.3 7.1 -4.2 19 19 A P E - 0 0 57 0, 0.0 2,-0.5 0, 0.0 113,-0.2 -0.212 18.0-118.8 -62.7 156.0 14.0 8.3 -0.7 20 20 A V E +F 131 0B 2 111,-1.9 111,-2.8 135,-0.1 2,-0.2 -0.809 41.1 164.7 -96.8 131.3 11.1 9.2 1.6 21 21 A T > - 0 0 67 -2,-0.5 3,-2.8 109,-0.2 85,-0.3 -0.700 47.3 -36.7-134.3-174.9 10.9 12.7 2.8 22 22 A T T 3 S+ 0 0 71 1,-0.3 136,-0.3 -2,-0.2 85,-0.2 -0.216 129.0 21.1 -49.8 125.9 8.4 15.1 4.5 23 23 A G T 3 S+ 0 0 31 83,-3.6 -1,-0.3 1,-0.4 84,-0.1 0.209 101.7 116.5 98.9 -13.7 4.9 14.5 3.1 24 24 A D < - 0 0 4 -3,-2.8 82,-2.3 82,-0.2 -1,-0.4 -0.316 50.6-144.1 -86.1 169.7 5.8 10.9 1.9 25 25 A I E -BC 105 154A 40 129,-2.0 129,-2.9 80,-0.2 2,-0.4 -0.980 10.5-170.8-137.4 145.5 4.4 7.6 2.9 26 26 A V E -BC 104 153A 1 78,-1.9 78,-3.2 -2,-0.3 2,-0.4 -0.999 6.4-168.3-136.8 132.5 5.7 4.0 3.3 27 27 A T E -BC 103 152A 8 125,-2.4 125,-2.5 -2,-0.4 2,-0.5 -0.984 8.9-156.8-125.6 131.8 3.7 0.9 3.9 28 28 A F E -BC 102 151A 4 74,-3.0 74,-2.2 -2,-0.4 2,-0.5 -0.917 15.3-159.1-103.4 127.0 4.9 -2.5 5.0 29 29 A F E -BC 101 150A 58 121,-3.3 121,-1.9 -2,-0.5 2,-0.4 -0.941 9.3-174.4-113.4 126.9 2.6 -5.4 4.0 30 30 A S E -BC 100 149A 5 70,-3.1 70,-2.3 -2,-0.5 119,-0.1 -0.970 20.4-151.7-118.5 131.4 2.7 -8.8 5.7 31 31 A S S S+ 0 0 91 117,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.519 83.2 48.5 -78.6 -2.6 0.4 -11.6 4.5 32 32 A A - 0 0 21 68,-0.1 114,-0.4 67,-0.0 67,-0.2 -0.890 58.3-160.9-134.1 163.2 0.4 -13.0 8.0 33 33 A A - 0 0 29 65,-0.3 2,-1.7 -2,-0.3 65,-0.3 -0.709 12.9-177.8-145.2 83.7 -0.1 -11.8 11.6 34 34 A N > + 0 0 71 110,-2.7 3,-1.0 -2,-0.2 111,-0.1 -0.569 18.4 156.0 -87.1 74.2 1.4 -14.4 13.9 35 35 A L T 3 S+ 0 0 41 -2,-1.7 -1,-0.2 1,-0.2 55,-0.1 0.442 70.6 54.9 -81.2 0.9 0.4 -12.7 17.1 36 36 A N T 3 S+ 0 0 165 -3,-0.1 -1,-0.2 108,-0.1 -2,-0.1 -0.007 81.9 128.9-120.0 27.3 0.6 -16.1 19.0 37 37 A A < - 0 0 30 -3,-1.0 105,-0.1 1,-0.2 3,-0.1 -0.164 65.7 -83.0 -75.5 172.9 4.2 -16.9 18.0 38 38 A G - 0 0 42 103,-0.4 26,-0.2 1,-0.2 -1,-0.2 -0.073 65.0 -65.0 -67.9 177.1 7.0 -17.9 20.4 39 39 A A - 0 0 63 25,-0.1 -1,-0.2 1,-0.1 4,-0.1 -0.309 49.9-121.5 -67.7 146.5 9.0 -15.3 22.3 40 40 A G - 0 0 11 2,-0.5 4,-0.3 -3,-0.1 3,-0.2 -0.173 25.7-109.2 -75.8 178.9 11.3 -12.9 20.6 41 41 A N S S- 0 0 150 2,-1.2 -1,-0.1 101,-0.0 3,-0.0 -0.304 96.3 -57.0-132.2 53.3 15.1 -12.7 21.3 42 42 A P S S+ 0 0 57 0, 0.0 -2,-0.5 0, 0.0 2,-0.4 -0.988 144.4 52.9 -91.6 -16.7 14.0 -10.2 22.5 43 43 A N - 0 0 45 -3,-0.2 -2,-1.2 1,-0.2 20,-0.2 -0.634 53.1-167.5 -81.7 131.7 12.4 -8.7 19.4 44 44 A N S S- 0 0 0 18,-3.0 95,-0.4 1,-0.4 2,-0.3 0.884 80.6 -6.3 -78.3 -41.5 9.9 -10.9 17.5 45 45 A T E -G 62 0B 0 17,-1.3 17,-3.3 98,-0.2 -1,-0.4 -0.992 61.9-165.4-153.2 148.1 10.0 -8.4 14.6 46 46 A T E -GH 61 137B 7 91,-2.0 91,-1.8 -2,-0.3 2,-0.4 -0.984 2.6-165.0-136.2 144.8 11.5 -5.0 13.8 47 47 A L E -GH 60 136B 1 13,-2.0 13,-2.8 -2,-0.3 2,-0.4 -0.991 18.8-169.7-127.2 136.3 10.7 -2.6 11.0 48 48 A N E -GH 59 135B 4 87,-2.3 87,-1.5 -2,-0.4 2,-0.5 -0.982 25.5-158.6-138.2 145.1 13.2 0.3 10.3 49 49 A L E -GH 58 134B 3 9,-2.1 9,-1.7 -2,-0.4 8,-1.7 -0.984 29.1-158.4-114.2 122.9 13.5 3.5 8.4 50 50 A F E -GH 56 133B 18 83,-2.7 82,-2.6 -2,-0.5 83,-1.3 -0.801 9.9-130.7-109.6 150.4 17.2 4.4 7.9 51 51 A A > - 0 0 11 4,-2.4 3,-1.6 -2,-0.3 80,-0.1 -0.204 42.1 -91.9 -82.0 178.7 19.0 7.7 7.1 52 52 A E T 3 S+ 0 0 150 78,-0.4 -1,-0.1 1,-0.3 79,-0.1 0.828 129.0 49.3 -62.5 -31.1 21.6 8.1 4.4 53 53 A N T 3 S- 0 0 92 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.297 123.7-101.9 -92.6 9.6 24.3 7.3 7.0 54 54 A G S < S+ 0 0 31 -3,-1.6 -2,-0.1 1,-0.3 2,-0.0 0.456 70.8 149.2 87.2 -0.2 22.6 4.2 8.3 55 55 A A - 0 0 0 1,-0.1 -4,-2.4 20,-0.1 2,-1.2 -0.368 57.3-110.7 -66.3 146.6 21.2 5.8 11.4 56 56 A Y E +GI 50 74B 56 18,-3.1 18,-1.6 -6,-0.2 3,-0.2 -0.703 37.6 176.9 -81.0 98.3 17.9 4.4 12.7 57 57 A L E S+ 0 0 0 -8,-1.7 69,-0.4 -2,-1.2 2,-0.4 0.924 79.0 8.6 -66.3 -44.5 15.5 7.3 12.0 58 58 A L E -G 49 0B 1 -9,-1.7 -9,-2.1 -3,-0.2 2,-0.5 -0.950 68.4-172.5-143.9 120.2 12.6 5.1 13.2 59 59 A H E -GI 48 72B 15 13,-2.7 13,-1.7 -2,-0.4 2,-0.6 -0.961 4.6-170.5-113.5 118.7 13.0 1.7 14.9 60 60 A I E -GI 47 71B 2 -13,-2.8 -13,-2.0 -2,-0.5 2,-0.5 -0.951 7.9-175.3-113.2 113.2 9.8 -0.3 15.5 61 61 A A E -GI 46 70B 1 9,-2.9 9,-2.9 -2,-0.6 2,-0.5 -0.941 11.2-158.5-117.0 126.2 10.2 -3.3 17.7 62 62 A F E +GI 45 69B 0 -17,-3.3 -18,-3.0 -2,-0.5 -17,-1.3 -0.886 10.9 179.9-103.2 123.5 7.5 -5.8 18.5 63 63 A R E >> - I 0 68B 48 5,-2.2 5,-1.8 -2,-0.5 4,-0.9 -0.915 9.9-175.2-125.9 103.5 7.9 -8.0 21.6 64 64 A L T 45S+ 0 0 30 -2,-0.5 -1,-0.2 3,-0.2 25,-0.1 0.932 84.9 52.3 -62.6 -47.6 5.1 -10.5 22.3 65 65 A Q T 45S+ 0 0 82 1,-0.3 -1,-0.2 -23,-0.2 -26,-0.1 0.933 117.3 36.9 -54.7 -53.1 6.6 -11.7 25.6 66 66 A E T 45S- 0 0 83 -24,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.644 107.3-139.1 -74.1 -12.8 6.9 -8.2 27.0 67 67 A N T <5 + 0 0 72 -4,-0.9 21,-2.3 1,-0.2 2,-0.3 0.946 60.9 105.8 51.9 59.1 3.7 -7.5 25.2 68 68 A V E < -IJ 63 87B 1 -5,-1.8 -5,-2.2 19,-0.2 2,-0.5 -0.987 65.1-129.9-158.9 157.1 4.7 -4.1 23.9 69 69 A I E -IJ 62 86B 0 17,-2.8 17,-2.2 -2,-0.3 2,-0.4 -0.974 26.8-154.0-114.6 125.4 5.8 -2.2 20.8 70 70 A I E -IJ 61 85B 6 -9,-2.9 -9,-2.9 -2,-0.5 2,-0.4 -0.816 8.0-167.3-103.2 139.7 8.9 -0.1 21.2 71 71 A F E +IJ 60 84B 0 13,-2.8 13,-2.5 -2,-0.4 2,-0.3 -0.996 25.7 133.9-126.7 129.1 9.8 3.0 19.1 72 72 A N E -I 59 0B 4 -13,-1.7 -13,-2.7 -2,-0.4 2,-0.3 -0.923 35.1-138.1-158.5-178.9 13.2 4.6 19.2 73 73 A S E + 0 0 0 -2,-0.3 8,-2.5 -15,-0.2 2,-0.3 -0.943 20.7 168.2-145.2 161.1 16.0 6.0 17.0 74 74 A R E -I 56 0B 45 -18,-1.6 -18,-3.1 -2,-0.3 6,-0.1 -0.949 34.4-106.6-173.2 154.7 19.9 5.8 17.1 75 75 A Q > - 0 0 81 4,-0.4 3,-1.9 -2,-0.3 -20,-0.1 -0.531 46.8-101.5 -83.0 155.7 23.0 6.6 15.2 76 76 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.824 122.9 22.6 -45.7 -45.1 25.0 3.6 13.6 77 77 A D T 3 S+ 0 0 165 2,-0.1 -22,-0.0 0, 0.0 -2,-0.0 0.125 115.2 94.9-110.4 18.3 27.6 3.5 16.4 78 78 A G S < S- 0 0 19 -3,-1.9 2,-0.1 1,-0.1 3,-0.1 -0.557 76.1-100.8-107.0 172.1 25.4 5.3 18.9 79 79 A P - 0 0 102 0, 0.0 -4,-0.4 0, 0.0 -1,-0.1 -0.461 46.4 -86.7 -87.8 160.5 23.0 4.2 21.7 80 80 A W - 0 0 109 -6,-0.1 -6,-0.2 -2,-0.1 3,-0.1 -0.412 47.3-145.5 -63.2 141.4 19.2 4.1 21.5 81 81 A L - 0 0 71 -8,-2.5 2,-0.4 1,-0.2 -1,-0.1 0.288 55.6 -17.5 -87.1-142.6 17.8 7.5 22.4 82 82 A V S S- 0 0 108 1,-0.1 2,-0.3 -10,-0.0 -1,-0.2 -0.492 70.8-135.5 -70.3 119.0 14.5 8.1 24.3 83 83 A E - 0 0 89 -2,-0.4 2,-0.4 -3,-0.1 -11,-0.2 -0.551 16.3-165.4 -78.4 131.7 12.3 5.0 24.3 84 84 A Q E -J 71 0B 79 -13,-2.5 -13,-2.8 -2,-0.3 2,-0.4 -0.955 11.9-162.9-114.0 134.3 8.6 5.3 23.5 85 85 A R E -J 70 0B 117 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.939 16.6-167.6-124.2 144.5 6.4 2.3 24.4 86 86 A V E -J 69 0B 24 -17,-2.2 -17,-2.8 -2,-0.4 2,-0.1 -0.986 24.7-138.6-127.7 117.7 2.9 1.2 23.4 87 87 A S E +J 68 0B 88 -2,-0.5 -19,-0.2 -19,-0.2 -20,-0.1 -0.427 68.1 34.8 -80.7 151.8 1.5 -1.6 25.5 88 88 A D > - 0 0 66 -21,-2.3 4,-1.2 -22,-0.2 -20,-0.2 0.979 57.5-159.7 71.8 87.9 -0.5 -4.6 24.2 89 89 A V H >> S+ 0 0 0 1,-0.2 4,-0.9 -26,-0.2 3,-0.6 0.931 89.7 51.6 -59.0 -51.9 0.7 -5.7 20.8 90 90 A A H 3> S+ 0 0 51 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.834 104.0 59.4 -57.0 -35.6 -2.5 -7.6 19.8 91 91 A N H >4 S+ 0 0 75 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.880 100.8 54.1 -62.7 -38.2 -4.6 -4.6 20.6 92 92 A Q H << S+ 0 0 16 -4,-1.2 26,-0.3 -3,-0.6 -1,-0.2 0.759 110.8 47.0 -68.3 -25.1 -2.8 -2.4 18.1 93 93 A F H >< S+ 0 0 5 -4,-0.9 3,-1.3 -3,-0.5 -1,-0.2 0.575 84.1 120.1 -92.5 -12.2 -3.5 -4.9 15.3 94 94 A A T << + 0 0 56 -4,-0.9 23,-0.3 -3,-0.6 24,-0.1 -0.144 59.8 46.9 -53.5 146.3 -7.2 -5.4 16.1 95 95 A G T 3 S+ 0 0 61 21,-0.1 2,-0.5 22,-0.1 -1,-0.2 -0.334 108.1 55.5 115.1 -51.6 -9.6 -4.6 13.3 96 96 A I S < S- 0 0 46 -3,-1.3 2,-0.3 3,-0.1 21,-0.0 -0.977 73.6-167.5-117.6 125.2 -7.8 -6.4 10.6 97 97 A D + 0 0 136 -2,-0.5 3,-0.1 1,-0.1 -3,-0.0 -0.813 59.1 23.2-114.9 154.1 -7.1 -10.1 11.1 98 98 A G S S+ 0 0 55 -2,-0.3 -65,-0.3 -65,-0.3 2,-0.3 0.090 121.1 29.2 86.8 -24.7 -4.9 -12.7 9.3 99 99 A K - 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