==== 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 3M3O . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR L.FENG,D.LI,D.WANG . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 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 . 73 46.2 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 . 2 1.3 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 . 21 13.3 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 . 4 2.5 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 . 1 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 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 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 0 180 0, 0.0 2,-0.3 0, 0.0 155,-0.2 0.000 360.0 360.0 360.0 146.1 14.6 8.6 18.0 2 2 A G E -A 155 0A 33 153,-1.7 153,-1.9 2,-0.0 2,-0.4 -0.987 360.0-139.8-148.0 157.0 11.0 8.8 16.7 3 3 A V E -A 154 0A 90 -2,-0.3 2,-0.4 151,-0.2 151,-0.2 -0.948 19.7-172.3-114.4 133.8 7.6 7.2 16.8 4 4 A N E -A 153 0A 43 149,-1.7 149,-2.3 -2,-0.4 2,-0.4 -0.994 6.4-157.1-130.2 134.1 5.5 6.8 13.6 5 5 A I E +A 152 0A 105 -2,-0.4 2,-0.3 147,-0.2 147,-0.2 -0.922 13.1 175.9-114.8 136.3 1.9 5.7 13.5 6 6 A Y E -A 151 0A 28 145,-3.0 145,-3.2 -2,-0.4 2,-0.5 -0.972 21.8-144.9-136.9 151.1 0.1 4.2 10.6 7 7 A N E -A 150 0A 107 -2,-0.3 2,-0.6 143,-0.2 143,-0.2 -0.979 18.5-163.5-117.0 123.4 -3.3 2.7 10.0 8 8 A I E -A 149 0A 0 141,-3.1 141,-2.8 -2,-0.5 2,-0.1 -0.914 7.0-152.7-116.9 110.3 -3.4 -0.2 7.6 9 9 A S E > -A 148 0A 61 -2,-0.6 3,-1.7 139,-0.2 127,-0.4 -0.504 43.3 -88.4 -72.8 147.8 -6.7 -1.4 6.0 10 10 A A T 3 S+ 0 0 30 137,-2.3 127,-0.3 1,-0.3 -1,-0.1 -0.310 115.2 24.9 -57.5 133.1 -6.7 -5.1 5.1 11 11 A G T 3 S+ 0 0 48 125,-3.0 2,-0.3 1,-0.3 -1,-0.3 0.532 109.2 88.7 89.6 4.6 -5.3 -5.6 1.6 12 12 A T E < -F 136 0B 64 -3,-1.7 124,-1.9 124,-0.9 -1,-0.3 -0.800 58.6-147.0-128.3 171.7 -3.2 -2.4 1.5 13 13 A S E -F 135 0B 68 -2,-0.3 2,-0.3 122,-0.2 122,-0.3 -0.844 9.1-138.4-132.9 167.5 0.3 -1.3 2.5 14 14 A V E -F 134 0B 27 120,-2.9 120,-1.8 -2,-0.3 2,-0.5 -0.965 13.0-129.8-130.0 150.0 1.8 1.9 3.8 15 15 A D E -F 133 0B 133 -2,-0.3 118,-0.3 118,-0.2 2,-0.2 -0.865 32.4-123.7 -97.7 130.5 5.0 3.7 3.0 16 16 A L E - 0 0 22 116,-2.9 -10,-0.0 -2,-0.5 4,-0.0 -0.496 10.1-152.8 -79.1 140.4 7.1 4.7 6.1 17 17 A A E S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 115,-0.0 0.852 97.6 33.4 -73.5 -34.4 8.1 8.2 6.8 18 18 A A E S- 0 0 21 -3,-0.0 -1,-0.3 -16,-0.0 -14,-0.1 -0.975 91.6-130.0-125.5 118.6 11.0 6.6 8.7 19 19 A P E - 0 0 59 0, 0.0 2,-0.6 0, 0.0 137,-0.2 -0.233 20.5-121.3 -64.0 153.7 12.5 3.3 7.4 20 20 A V E +F 131 0B 2 111,-2.2 111,-2.4 135,-0.1 2,-0.2 -0.885 42.2 163.7-100.3 121.8 13.1 0.5 9.8 21 21 A T > - 0 0 57 -2,-0.6 3,-2.4 109,-0.2 85,-0.3 -0.537 47.6 -39.8-123.0-170.2 16.7 -0.7 10.1 22 22 A T T 3 S+ 0 0 67 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.312 128.8 22.3 -56.3 128.4 18.8 -2.8 12.5 23 23 A G T 3 S+ 0 0 30 83,-3.7 -1,-0.3 1,-0.3 84,-0.1 0.279 101.3 117.7 96.2 -9.5 17.9 -2.1 16.1 24 24 A D < - 0 0 3 -3,-2.4 82,-2.2 82,-0.3 -1,-0.3 -0.360 50.8-142.2 -89.1 170.8 14.4 -0.8 15.2 25 25 A I E -BC 105 154A 26 129,-1.9 129,-2.5 80,-0.2 2,-0.4 -0.974 11.5-170.7-136.0 146.1 11.0 -2.1 16.1 26 26 A V E -BC 104 153A 1 78,-1.9 78,-2.8 -2,-0.3 2,-0.4 -1.000 6.8-172.8-135.3 133.1 7.6 -2.5 14.4 27 27 A T E -BC 103 152A 7 125,-2.5 125,-2.5 -2,-0.4 2,-0.5 -0.993 9.7-155.9-131.1 126.5 4.4 -3.5 16.2 28 28 A F E -BC 102 151A 2 74,-3.2 74,-2.4 -2,-0.4 2,-0.5 -0.879 13.0-156.6 -99.4 129.6 1.1 -4.2 14.5 29 29 A F E -BC 101 150A 64 121,-3.8 121,-2.4 -2,-0.5 2,-0.4 -0.939 5.5-165.1-113.2 126.0 -2.0 -3.7 16.7 30 30 A S E -BC 100 149A 7 70,-3.0 70,-1.7 -2,-0.5 119,-0.1 -0.914 14.3-155.7-109.8 132.7 -5.3 -5.5 16.0 31 31 A S S S+ 0 0 94 117,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.350 80.9 36.3 -85.9 6.4 -8.5 -4.3 17.7 32 32 A A - 0 0 37 68,-0.1 114,-0.4 114,-0.0 2,-0.3 -0.929 62.5-154.4-148.7 170.7 -10.1 -7.7 17.3 33 33 A L + 0 0 37 -2,-0.3 2,-0.5 112,-0.2 65,-0.4 -0.838 11.5 175.1-155.4 112.3 -9.1 -11.4 17.3 34 34 A N > + 0 0 64 110,-2.0 3,-1.3 -2,-0.3 111,-0.1 -0.766 9.9 165.4-124.1 87.8 -11.0 -14.2 15.5 35 35 A L T 3 S+ 0 0 43 -2,-0.5 55,-0.1 1,-0.3 -1,-0.1 0.367 80.2 62.0 -79.7 6.5 -9.3 -17.5 15.8 36 36 A N T 3 S+ 0 0 151 108,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.088 76.9 134.0-116.1 18.7 -12.5 -19.0 14.6 37 37 A A < - 0 0 14 -3,-1.3 105,-0.2 1,-0.1 3,-0.1 -0.164 65.8 -80.8 -65.6 163.1 -12.4 -17.3 11.2 38 38 A G - 0 0 37 103,-0.5 26,-0.2 1,-0.1 27,-0.1 -0.096 63.5 -74.4 -60.0 165.1 -13.1 -19.2 7.9 39 39 A A - 0 0 73 25,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.203 50.7-121.8 -60.4 152.9 -10.4 -21.2 6.3 40 40 A G - 0 0 14 2,-0.4 4,-0.2 -3,-0.1 3,-0.2 -0.450 13.5-119.7 -92.1 169.5 -7.6 -19.4 4.5 41 41 A N S S- 0 0 135 2,-1.1 3,-0.0 -2,-0.1 22,-0.0 -0.348 97.6 -56.4-130.9 56.4 -6.6 -19.8 0.9 42 42 A P S S+ 0 0 47 0, 0.0 -2,-0.4 0, 0.0 2,-0.3 -0.993 140.3 57.2 -95.6 -6.6 -4.1 -20.6 2.4 43 43 A N - 0 0 41 -3,-0.2 -2,-1.1 1,-0.2 20,-0.2 -0.630 42.1-177.3 -90.6 141.0 -3.7 -17.4 4.4 44 44 A N S S- 0 0 1 18,-2.9 95,-0.5 1,-0.5 2,-0.3 0.774 83.8 -3.0 -94.2 -41.1 -6.2 -15.9 6.8 45 45 A T E -G 62 0B 0 17,-1.3 17,-3.7 98,-0.2 -1,-0.5 -0.988 63.2-173.1-153.0 143.9 -3.9 -13.0 7.6 46 46 A T E -GH 61 137B 5 91,-1.6 91,-1.9 -2,-0.3 2,-0.4 -0.975 6.2-162.6-138.1 146.1 -0.4 -12.0 6.5 47 47 A L E -GH 60 136B 0 13,-1.8 13,-2.7 -2,-0.3 2,-0.3 -0.979 18.9-165.2-128.0 139.8 1.7 -9.1 7.8 48 48 A N E -GH 59 135B 4 87,-2.1 87,-1.7 -2,-0.4 2,-0.6 -0.981 24.6-154.6-139.8 144.3 4.7 -7.9 5.7 49 49 A L E -GH 58 134B 2 9,-2.4 8,-1.6 -2,-0.3 9,-1.6 -0.964 29.3-163.0-111.1 120.3 7.8 -5.8 5.9 50 50 A F E -GH 56 133B 25 83,-3.1 82,-3.0 -2,-0.6 83,-1.3 -0.794 16.5-136.6-109.0 152.0 8.9 -4.6 2.4 51 51 A A > - 0 0 11 4,-2.3 3,-1.9 -2,-0.3 80,-0.2 -0.575 37.6-107.3 -91.4 161.8 12.1 -3.2 1.0 52 52 A E T 3 S+ 0 0 174 78,-0.4 -1,-0.1 1,-0.3 79,-0.1 0.810 119.3 62.2 -62.9 -27.5 11.7 -0.2 -1.3 53 53 A N T 3 S- 0 0 94 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.366 125.0-100.7 -79.4 5.9 12.5 -2.4 -4.3 54 54 A G S < S+ 0 0 33 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.391 72.9 147.8 92.3 -4.3 9.4 -4.5 -3.6 55 55 A A - 0 0 2 1,-0.1 -4,-2.3 22,-0.1 2,-1.2 -0.373 51.8-126.0 -68.1 143.4 11.2 -7.4 -1.9 56 56 A Y E +GI 50 74B 52 18,-3.2 18,-1.7 -6,-0.2 -6,-0.2 -0.774 30.8 177.3 -88.4 94.2 9.3 -9.2 0.9 57 57 A L E S+ 0 0 0 -8,-1.6 69,-0.4 -2,-1.2 2,-0.4 0.939 74.6 7.8 -64.5 -46.0 11.9 -8.9 3.7 58 58 A L E -G 49 0B 1 -9,-1.6 -9,-2.4 -3,-0.2 2,-0.5 -0.977 65.4-172.3-143.0 126.7 9.6 -10.7 6.1 59 59 A H E -GI 48 72B 15 13,-2.2 13,-1.6 -2,-0.4 2,-0.6 -0.984 5.6-167.9-119.2 121.0 6.2 -12.4 5.4 60 60 A I E -GI 47 71B 1 -13,-2.7 -13,-1.8 -2,-0.5 2,-0.5 -0.949 8.6-172.4-113.8 112.3 4.2 -13.6 8.4 61 61 A A E -GI 46 70B 0 9,-3.0 9,-2.6 -2,-0.6 2,-0.6 -0.923 11.3-158.8-113.8 123.5 1.3 -15.8 7.4 62 62 A F E -GI 45 69B 0 -17,-3.7 -18,-2.9 -2,-0.5 -17,-1.3 -0.872 12.3-178.5 -99.4 119.0 -1.4 -17.0 9.8 63 63 A R E > + I 0 68B 32 5,-2.6 5,-2.2 -2,-0.6 4,-0.3 -0.927 11.6 179.7-122.9 106.5 -3.2 -20.1 8.6 64 64 A L T > 5S+ 0 0 30 -2,-0.5 3,-0.7 3,-0.2 -1,-0.2 0.912 83.9 54.1 -69.1 -44.9 -6.0 -21.4 10.9 65 65 A Q T 3 5S+ 0 0 74 1,-0.3 -1,-0.2 -23,-0.2 -26,-0.1 0.784 119.2 34.8 -62.5 -27.6 -6.9 -24.4 8.7 66 66 A E T 3 5S- 0 0 101 -24,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.400 105.6-135.5-103.9 -0.8 -3.3 -25.6 8.7 67 67 A N T < 5 + 0 0 68 -3,-0.7 21,-2.1 -4,-0.3 2,-0.3 0.930 64.1 105.6 43.7 63.4 -2.9 -24.3 12.3 68 68 A V E < -IJ 63 87B 18 -5,-2.2 -5,-2.6 19,-0.2 2,-0.5 -0.991 64.9-130.9-163.7 156.9 0.5 -22.7 11.7 69 69 A I E -IJ 62 86B 0 17,-3.0 17,-2.5 -2,-0.3 2,-0.3 -0.976 27.2-154.9-116.1 122.2 2.3 -19.4 11.2 70 70 A I E -IJ 61 85B 6 -9,-2.6 -9,-3.0 -2,-0.5 2,-0.4 -0.779 6.9-164.9-101.5 141.9 4.6 -19.3 8.2 71 71 A F E +IJ 60 84B 0 13,-2.9 13,-2.9 -2,-0.3 2,-0.3 -0.995 25.6 142.3-125.7 126.7 7.6 -17.0 7.8 72 72 A N E -I 59 0B 2 -13,-1.6 -13,-2.2 -2,-0.4 2,-0.3 -0.902 32.7-142.1-151.9 177.3 9.3 -16.4 4.4 73 73 A S E - 0 0 0 -2,-0.3 8,-2.5 -15,-0.2 2,-0.3 -0.883 13.3-168.5-139.7 169.0 10.9 -13.8 2.2 74 74 A R E -IK 56 80B 79 -18,-1.7 -18,-3.2 -2,-0.3 6,-0.2 -0.908 24.3-116.6-166.1 131.8 10.8 -13.2 -1.5 75 75 A Q > - 0 0 83 4,-0.6 3,-2.1 -2,-0.3 -21,-0.0 -0.328 50.5 -89.9 -66.9 157.4 12.7 -11.0 -4.0 76 76 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.826 120.8 4.3 -30.6 -66.8 10.7 -8.3 -5.8 77 77 A D T 3 S+ 0 0 155 2,-0.0 -2,-0.1 -22,-0.0 -22,-0.1 -0.478 115.5 104.9-123.0 56.9 9.6 -10.4 -8.7 78 78 A G S < S- 0 0 18 -3,-2.1 2,-0.1 1,-0.1 3,-0.1 -0.682 74.2 -79.2-126.8-178.6 11.1 -13.7 -7.6 79 79 A P - 0 0 100 0, 0.0 -4,-0.6 0, 0.0 2,-0.1 -0.427 54.1 -91.7 -82.0 159.5 9.9 -17.0 -6.1 80 80 A W B -K 74 0B 96 -6,-0.2 -6,-0.2 -2,-0.1 3,-0.1 -0.463 48.2-141.7 -66.8 141.5 9.1 -17.5 -2.4 81 81 A L - 0 0 63 -8,-2.5 2,-0.5 1,-0.2 -1,-0.1 0.131 47.1 -29.7 -87.9-153.8 12.1 -18.6 -0.5 82 82 A V - 0 0 90 1,-0.1 2,-0.2 -10,-0.1 -1,-0.2 -0.491 63.7-136.9 -69.3 115.7 12.6 -21.1 2.3 83 83 A E - 0 0 102 -2,-0.5 2,-0.4 -3,-0.1 -11,-0.2 -0.512 13.0-161.0 -75.0 135.2 9.5 -21.3 4.6 84 84 A Q E -J 71 0B 89 -13,-2.9 -13,-2.9 -2,-0.2 2,-0.4 -0.929 15.0-158.9-112.1 139.1 10.0 -21.3 8.3 85 85 A A E -J 70 0B 67 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.974 19.7-169.1-133.2 136.6 7.0 -22.6 10.3 86 86 A V E -J 69 0B 27 -17,-2.5 -17,-3.0 -2,-0.4 2,-0.2 -0.979 26.4-138.9-116.7 123.3 5.7 -22.3 13.9 87 87 A S E +J 68 0B 85 -2,-0.5 -19,-0.2 -19,-0.2 -20,-0.1 -0.491 66.4 42.3 -86.5 154.8 2.8 -24.7 14.7 88 88 A D > - 0 0 62 -21,-2.1 4,-0.8 -22,-0.2 -20,-0.2 0.953 54.0-165.6 76.2 91.3 -0.3 -23.9 16.8 89 89 A V H >> S+ 0 0 0 -26,-0.2 3,-0.9 1,-0.2 4,-0.8 0.965 84.6 50.1 -66.8 -58.0 -1.8 -20.5 16.0 90 90 A A H 3> S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.778 102.7 62.3 -54.8 -32.3 -4.1 -20.1 19.0 91 91 A N H 34 S+ 0 0 81 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.881 98.1 56.2 -64.0 -37.9 -1.4 -20.9 21.5 92 92 A Q H << S+ 0 0 19 -3,-0.9 26,-0.3 -4,-0.8 -1,-0.2 0.801 113.1 41.9 -63.6 -28.3 0.7 -17.9 20.4 93 93 A F H >< S+ 0 0 3 -4,-0.8 3,-1.5 -3,-0.4 -1,-0.2 0.605 83.7 127.2 -95.0 -14.2 -2.3 -15.7 21.2 94 94 A A T 3< + 0 0 47 -4,-1.2 3,-0.1 -3,-0.3 -3,-0.0 -0.080 62.3 41.1 -45.6 136.3 -3.4 -17.3 24.5 95 95 A G T 3 S+ 0 0 74 21,-0.1 2,-0.4 1,-0.0 -1,-0.2 0.088 106.6 63.2 111.7 -23.8 -3.8 -14.9 27.4 96 96 A I < - 0 0 57 -3,-1.5 2,-0.3 3,-0.1 3,-0.1 -0.988 61.5-170.5-139.0 126.4 -5.4 -12.0 25.6 97 97 A D + 0 0 143 -2,-0.4 -63,-0.1 1,-0.1 3,-0.0 -0.803 65.6 21.4-115.4 157.0 -8.8 -12.1 23.9 98 98 A G S S+ 0 0 47 -65,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.410 121.6 39.6 72.1 -3.0 -10.5 -9.6 21.6 99 99 A K - 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