==== 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 2ZGP . 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) . 12965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 71.8 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 . 50 15.8 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 . 6 1.9 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 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 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 0 102 0, 0.0 2,-0.3 0, 0.0 155,-0.2 0.000 360.0 360.0 360.0 -19.9 4.0 -0.3 -4.6 2 2 A G E -A 155 0A 19 153,-2.1 153,-1.9 2,-0.0 2,-0.4 -0.996 360.0-156.2-143.7 144.9 6.1 2.8 -4.1 3 3 A V E -A 154 0A 2 273,-0.4 2,-0.4 -2,-0.3 151,-0.2 -0.952 13.0-175.4-117.6 131.2 9.5 3.9 -2.8 4 4 A N E -A 153 0A 23 149,-1.7 149,-2.6 -2,-0.4 2,-0.5 -0.990 11.5-151.6-129.1 133.4 10.3 7.5 -1.5 5 5 A I E -A 152 0A 28 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.887 12.8-174.9-106.1 125.8 13.6 8.9 -0.3 6 6 A Y E -A 151 0A 20 145,-2.2 145,-1.9 -2,-0.5 2,-1.0 -0.969 17.2-153.9-121.9 132.2 13.8 11.8 2.2 7 7 A N E -A 150 0A 105 -2,-0.4 2,-0.5 143,-0.2 143,-0.2 -0.737 20.6-167.5-102.8 84.9 17.0 13.5 3.3 8 8 A I E -A 149 0A 3 141,-1.8 141,-2.5 -2,-1.0 2,-0.4 -0.606 7.7-149.6 -76.9 120.8 16.0 14.7 6.8 9 9 A S E > -A 148 0A 56 -2,-0.5 3,-1.6 139,-0.2 127,-0.3 -0.745 35.1 -91.3 -92.3 134.4 18.5 17.2 8.2 10 10 A A T 3 S+ 0 0 27 137,-2.8 127,-0.2 -2,-0.4 130,-0.1 -0.129 113.9 23.6 -44.5 125.2 18.8 17.3 12.0 11 11 A G T 3 S+ 0 0 48 125,-3.0 2,-0.3 1,-0.4 -1,-0.3 0.539 109.0 89.6 93.8 7.5 16.4 19.7 13.5 12 12 A T E < -F 136 0B 66 -3,-1.6 124,-1.8 124,-0.8 -1,-0.4 -0.843 58.7-146.5-130.6 167.5 13.9 19.7 10.6 13 13 A S E -F 135 0B 79 -2,-0.3 2,-0.3 122,-0.2 122,-0.3 -0.702 12.2-147.8-124.4 177.3 10.9 17.7 9.6 14 14 A V E -F 134 0B 40 120,-2.8 120,-1.9 -2,-0.2 2,-0.3 -0.992 11.5-126.9-154.0 144.0 9.5 16.7 6.2 15 15 A D E -F 133 0B 129 -2,-0.3 2,-0.3 118,-0.2 118,-0.3 -0.687 30.4-124.0 -89.9 142.6 6.1 16.1 4.5 16 16 A L E - 0 0 23 116,-3.2 -1,-0.0 -2,-0.3 -10,-0.0 -0.689 8.0-154.2 -91.1 138.7 5.6 12.8 2.7 17 17 A A E S+ 0 0 89 -2,-0.3 -1,-0.1 1,-0.3 115,-0.0 0.812 96.4 36.6 -74.3 -31.7 4.6 12.5 -0.9 18 18 A A E S- 0 0 20 -3,-0.1 -1,-0.3 114,-0.0 -14,-0.1 -0.979 93.3-126.0-124.3 120.4 3.0 9.2 0.0 19 19 A P E - 0 0 66 0, 0.0 2,-0.5 0, 0.0 113,-0.2 -0.316 20.3-127.2 -64.3 144.7 1.3 8.8 3.4 20 20 A V E +F 131 0B 2 111,-2.7 111,-3.2 135,-0.1 2,-0.2 -0.816 43.8 152.1 -93.7 129.0 2.5 5.9 5.6 21 21 A T > - 0 0 58 -2,-0.5 3,-3.0 109,-0.2 85,-0.3 -0.760 47.9 -30.6-141.7-171.3 -0.3 3.6 6.8 22 22 A T T 3 S+ 0 0 78 1,-0.3 136,-0.3 -2,-0.2 85,-0.2 -0.141 128.8 21.1 -46.9 132.6 -1.2 0.1 7.9 23 23 A G T 3 S+ 0 0 24 83,-3.1 -1,-0.3 1,-0.3 84,-0.1 0.274 106.7 110.6 89.3 -12.8 1.0 -2.4 6.1 24 24 A D < - 0 0 4 -3,-3.0 82,-2.6 82,-0.4 -1,-0.3 -0.334 49.1-158.6 -91.0 174.3 3.6 0.3 5.4 25 25 A G E -BC 105 154A 5 129,-1.5 129,-2.7 80,-0.2 2,-0.4 -0.997 8.8-162.7-154.2 148.7 7.1 0.9 6.8 26 26 A V E -BC 104 153A 0 78,-2.1 78,-3.1 -2,-0.3 2,-0.4 -0.978 8.2-163.5-131.0 143.4 9.6 3.7 7.2 27 27 A T E -BC 103 152A 0 125,-2.0 125,-2.2 -2,-0.4 2,-0.7 -0.965 9.2-151.2-134.3 120.3 13.3 3.3 7.9 28 28 A F E -BC 102 151A 3 74,-3.3 74,-2.5 -2,-0.4 2,-0.4 -0.785 17.4-158.5 -90.0 115.5 15.6 6.0 9.1 29 29 A F E -BC 101 150A 27 121,-2.6 121,-2.2 -2,-0.7 2,-0.4 -0.807 7.0-169.0 -97.6 134.0 19.2 5.4 7.9 30 30 A S E -B 100 0A 6 70,-3.1 70,-2.3 -2,-0.4 119,-0.1 -0.978 18.6-152.4-122.6 136.1 22.2 6.9 9.7 31 31 A S S S+ 0 0 92 -2,-0.4 2,-0.3 117,-0.4 70,-0.1 0.139 80.5 38.1 -92.1 20.2 25.7 7.0 8.3 32 32 A A - 0 0 23 68,-0.2 114,-0.4 114,-0.1 2,-0.3 -0.982 60.0-150.5-162.2 158.0 27.3 7.0 11.8 33 33 A L - 0 0 25 -2,-0.3 2,-1.1 112,-0.2 65,-0.2 -0.723 16.1-171.5-139.9 84.6 26.8 5.6 15.3 34 34 A N + 0 0 74 110,-3.3 3,-0.5 -2,-0.3 -2,-0.0 -0.667 18.5 160.1 -81.7 96.0 28.1 8.0 17.9 35 35 A L S S+ 0 0 51 -2,-1.1 -1,-0.2 1,-0.2 55,-0.1 0.346 73.9 55.8 -98.4 5.5 28.0 6.2 21.2 36 36 A N S S+ 0 0 162 108,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.059 80.7 133.2-120.8 20.9 30.5 8.5 22.8 37 37 A A - 0 0 28 -3,-0.5 105,-0.2 105,-0.1 3,-0.1 -0.051 62.2 -92.4 -64.7 171.0 28.5 11.7 22.1 38 38 A G - 0 0 43 103,-0.7 2,-0.4 1,-0.2 27,-0.2 0.405 60.6 -63.5 -64.1-149.4 27.9 14.3 24.8 39 39 A A - 0 0 64 25,-0.1 -1,-0.2 26,-0.1 4,-0.1 -0.876 49.7-114.8-109.3 138.3 24.8 14.3 27.0 40 40 A G - 0 0 12 2,-0.4 4,-0.3 -2,-0.4 3,-0.2 -0.195 23.1-117.5 -64.8 160.9 21.3 14.7 25.7 41 41 A N S S- 0 0 123 2,-1.8 -1,-0.1 1,-0.0 3,-0.1 -0.344 97.9 -56.3-117.3 51.1 19.3 17.8 26.7 42 42 A P S S+ 0 0 60 0, 0.0 -2,-0.4 0, 0.0 24,-0.2 -0.992 145.1 55.3 -89.0 -8.2 17.9 15.4 27.8 43 43 A N - 0 0 32 -3,-0.2 -2,-1.8 1,-0.1 20,-0.2 -0.583 52.1-166.8 -88.8 149.3 17.6 13.7 24.4 44 44 A N S S- 0 0 2 18,-2.8 95,-0.4 1,-0.4 2,-0.3 0.756 79.7 -6.3 -96.7 -36.9 20.5 12.9 22.1 45 45 A T E -G 62 0B 0 17,-1.0 17,-2.9 98,-0.2 -1,-0.4 -0.973 62.0-164.1-160.3 143.8 18.4 12.1 19.1 46 46 A T E -GH 61 137B 8 91,-1.7 91,-1.0 -2,-0.3 2,-0.4 -0.967 3.1-163.9-133.9 149.7 14.7 11.7 18.3 47 47 A L E -GH 60 136B 0 13,-2.2 13,-2.8 -2,-0.3 2,-0.3 -0.990 20.0-174.5-129.7 136.5 12.8 10.2 15.4 48 48 A N E -GH 59 135B 1 87,-1.9 87,-1.2 -2,-0.4 2,-0.5 -0.981 25.9-155.7-142.1 151.7 9.1 10.9 15.0 49 49 A L E -GH 58 134B 3 9,-1.9 8,-2.8 -2,-0.3 9,-1.5 -0.990 25.7-160.1-121.2 121.6 6.0 10.0 12.9 50 50 A F E -GH 56 133B 24 83,-3.2 82,-1.8 -2,-0.5 83,-1.1 -0.732 12.8-135.2-105.8 154.5 3.3 12.7 12.8 51 51 A A > - 0 0 13 4,-2.1 3,-1.2 -2,-0.3 80,-0.1 -0.405 42.7 -96.1 -89.8 174.6 -0.4 12.6 11.9 52 52 A E T 3 S+ 0 0 154 78,-0.4 79,-0.1 1,-0.3 -1,-0.1 0.838 125.8 54.6 -65.6 -30.8 -1.7 15.4 9.7 53 53 A N T 3 S- 0 0 88 1,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.543 124.1-103.7 -79.1 -6.6 -2.9 17.5 12.6 54 54 A G < + 0 0 28 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.0 0.321 69.8 148.3 104.0 -9.4 0.6 17.3 14.0 55 55 A A - 0 0 0 1,-0.1 -4,-2.1 -5,-0.1 2,-0.8 -0.265 55.2-113.6 -60.1 143.5 0.1 14.8 16.8 56 56 A Y E +GI 50 74B 38 18,-3.2 18,-1.5 -6,-0.2 3,-0.2 -0.725 34.4 178.2 -80.5 111.0 3.1 12.6 17.6 57 57 A L E S+ 0 0 0 -8,-2.8 69,-0.4 -2,-0.8 2,-0.3 0.876 79.5 7.7 -78.8 -39.8 1.9 9.1 16.5 58 58 A L E -G 49 0B 1 -9,-1.5 -9,-1.9 -3,-0.2 2,-0.5 -0.912 67.1-175.5-148.1 115.6 5.3 7.7 17.5 59 59 A H E -GI 48 72B 17 13,-2.4 13,-2.2 -2,-0.3 2,-0.5 -0.955 7.4-173.6-112.1 120.1 8.0 9.7 19.3 60 60 A I E -GI 47 71B 3 -13,-2.8 -13,-2.2 -2,-0.5 2,-0.4 -0.959 4.6-177.7-119.1 115.7 11.3 7.8 19.8 61 61 A A E -GI 46 70B 0 9,-2.1 9,-3.7 -2,-0.5 2,-0.5 -0.933 13.6-152.9-118.9 136.9 14.0 9.4 21.9 62 62 A F E -GI 45 69B 1 -17,-2.9 -18,-2.8 -2,-0.4 -17,-1.0 -0.894 10.6-175.3-106.4 132.0 17.5 8.1 22.6 63 63 A R E > - I 0 68B 42 5,-2.4 5,-1.8 -2,-0.5 26,-0.2 -0.868 7.8-177.5-132.6 102.4 19.3 9.1 25.9 64 64 A L T > 5S+ 0 0 30 -2,-0.4 3,-1.0 3,-0.2 -1,-0.2 0.940 84.9 45.8 -60.1 -57.2 22.9 8.0 26.4 65 65 A Q T 3 5S+ 0 0 95 1,-0.3 -1,-0.2 -27,-0.2 -26,-0.1 0.871 122.3 39.1 -56.4 -39.3 23.6 9.3 29.9 66 66 A E T 3 5S- 0 0 80 -24,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.449 105.2-144.9 -88.1 -3.7 20.2 8.0 31.0 67 67 A N T < 5 + 0 0 66 -3,-1.0 21,-1.2 1,-0.1 2,-0.3 0.872 56.9 106.2 35.8 64.8 21.0 4.9 28.8 68 68 A V E < -IJ 63 87B 4 -5,-1.8 -5,-2.4 19,-0.2 2,-0.4 -0.983 63.7-127.0-160.3 159.0 17.4 4.3 27.7 69 69 A I E -IJ 62 86B 0 17,-1.4 17,-1.3 -2,-0.3 2,-0.4 -0.954 23.1-145.8-116.7 133.6 15.1 4.7 24.7 70 70 A I E -IJ 61 85B 7 -9,-3.7 -9,-2.1 -2,-0.4 2,-0.4 -0.793 13.4-174.8-101.9 141.2 11.8 6.6 25.0 71 71 A F E +IJ 60 84B 0 13,-2.0 13,-1.9 -2,-0.4 2,-0.2 -0.958 26.0 132.4-134.7 115.4 8.6 5.7 23.1 72 72 A N E -I 59 0B 4 -13,-2.2 -13,-2.4 -2,-0.4 2,-0.3 -0.790 34.7-142.2-146.3-169.7 5.6 8.0 23.4 73 73 A S E + 0 0 0 -2,-0.2 8,-2.5 -15,-0.2 2,-0.3 -0.981 13.8 178.8-158.1 152.8 2.7 9.9 21.7 74 74 A R E -I 56 0B 65 -18,-1.5 -18,-3.2 -2,-0.3 6,-0.1 -0.951 31.5-112.7-163.4 142.2 0.9 13.2 22.1 75 75 A Q - 0 0 92 4,-0.3 3,-0.4 -2,-0.3 -21,-0.0 -0.392 49.1 -98.8 -69.1 151.9 -1.9 15.2 20.4 76 76 A P S S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.805 123.7 21.2 -42.4 -38.5 -0.6 18.4 18.8 77 77 A D S S+ 0 0 163 2,-0.1 -23,-0.0 0, 0.0 -2,-0.0 0.551 111.6 94.3-108.9 -10.6 -1.7 20.4 21.8 78 78 A G S S- 0 0 24 -3,-0.4 2,-0.2 1,-0.1 3,-0.1 -0.097 76.5 -92.2 -80.2 176.9 -1.9 17.6 24.4 79 79 A P - 0 0 102 0, 0.0 -4,-0.3 0, 0.0 -1,-0.1 -0.535 52.8 -81.7 -86.6 152.1 0.5 16.3 27.1 80 80 A W - 0 0 108 -2,-0.2 -6,-0.2 -6,-0.1 3,-0.2 -0.321 54.5-144.9 -54.0 126.2 3.0 13.4 26.6 81 81 A L - 0 0 66 -8,-2.5 2,-0.7 1,-0.2 -1,-0.1 0.320 50.3 -24.4 -74.7-152.2 0.9 10.3 27.0 82 82 A V S S- 0 0 99 1,-0.1 -1,-0.2 -10,-0.1 2,-0.0 -0.510 70.3-131.9 -71.2 108.3 2.0 6.9 28.6 83 83 A E - 0 0 77 -2,-0.7 2,-0.4 -3,-0.2 -11,-0.2 -0.238 16.1-160.3 -59.0 137.1 5.7 6.5 28.4 84 84 A Q E -J 71 0B 89 -13,-1.9 -13,-2.0 2,-0.0 2,-0.3 -0.979 14.7-164.4-122.3 131.0 7.3 3.3 27.1 85 85 A R E -J 70 0B 110 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.883 19.9-176.8-124.9 153.5 11.0 2.5 28.0 86 86 A V E -J 69 0B 33 -17,-1.3 -17,-1.4 -2,-0.3 -2,-0.0 -0.870 19.9-146.2-147.5 108.9 13.8 0.2 26.9 87 87 A S E +J 68 0B 85 -2,-0.3 -19,-0.2 -19,-0.2 -20,-0.1 -0.097 66.1 53.2 -68.1 167.7 17.2 0.1 28.7 88 88 A D > - 0 0 80 -21,-1.2 4,-1.0 -24,-0.1 -20,-0.1 0.996 53.1-175.5 70.0 72.3 20.6 -0.5 27.1 89 89 A V H >> S+ 0 0 0 1,-0.2 3,-2.4 2,-0.2 4,-1.1 0.991 82.0 46.5 -57.4 -71.9 21.0 1.9 24.2 90 90 A A H 34 S+ 0 0 46 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.754 106.2 63.9 -42.8 -31.8 24.4 0.7 22.9 91 91 A N H >4 S+ 0 0 81 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.824 96.7 54.3 -67.3 -32.3 23.1 -2.9 23.1 92 92 A Q H << S+ 0 0 16 -3,-2.4 26,-0.2 -4,-1.0 -1,-0.2 0.936 107.8 50.0 -66.8 -44.8 20.3 -2.3 20.6 93 93 A F T >< S+ 0 0 4 -4,-1.1 3,-0.9 2,-0.1 -1,-0.3 0.255 88.0 132.8 -77.2 13.5 22.8 -1.1 18.0 94 94 A A T < + 0 0 43 -3,-1.1 2,-0.2 1,-0.2 -3,-0.1 -0.180 58.3 29.6 -65.0 158.4 25.0 -4.1 18.6 95 95 A G T 3 S+ 0 0 84 21,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.031 114.8 65.5 84.8 -34.2 26.5 -6.2 15.8 96 96 A I < + 0 0 36 -3,-0.9 2,-0.3 -2,-0.2 3,-0.1 -0.983 60.6 167.2-126.3 127.6 26.6 -3.1 13.5 97 97 A D + 0 0 133 -2,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.951 53.4 48.9-137.6 159.5 28.7 -0.0 14.0 98 98 A G S S+ 0 0 49 -2,-0.3 2,-0.3 -65,-0.2 -1,-0.1 0.306 122.2 11.3 96.3 -6.0 29.8 3.0 12.0 99 99 A K - 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