==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JAN-08 2ZGM . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR D.F.LI,N.YANG,D.C.WANG . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 76.4 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 . 146 45.9 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 . 3 0.9 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 . 4 1.3 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 . 56 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 . 1 0 0 2 5 11 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 3 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 0 A M 0 0 163 0, 0.0 2,-0.4 0, 0.0 157,-0.1 0.000 360.0 360.0 360.0 162.2 -5.9 -0.9 7.8 2 1 A Q + 0 0 57 155,-0.1 2,-0.3 156,-0.1 155,-0.2 -0.669 360.0 154.3 -81.0 132.7 -5.1 -4.6 8.7 3 2 A G E -A 156 0A 12 153,-1.8 153,-1.9 -2,-0.4 2,-0.4 -0.976 41.6-121.4-156.4 169.8 -1.4 -5.2 8.5 4 3 A V E -A 155 0A 3 274,-0.3 2,-0.4 -2,-0.3 151,-0.2 -0.936 21.9-173.4-117.1 134.3 1.6 -7.2 9.5 5 4 A N E -A 154 0A 28 149,-1.6 149,-2.2 -2,-0.4 2,-0.4 -0.998 9.0-154.4-130.1 132.9 4.7 -5.7 11.2 6 5 A I E -A 153 0A 24 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.904 11.9-175.5-110.7 134.1 7.9 -7.7 11.9 7 6 A Y E -A 152 0A 25 145,-3.0 145,-3.1 -2,-0.4 2,-0.7 -0.981 19.5-151.5-131.2 140.9 10.4 -6.8 14.6 8 7 A N E -A 151 0A 94 -2,-0.4 2,-0.6 143,-0.2 143,-0.2 -0.934 21.3-168.9-109.4 107.2 13.7 -8.2 15.6 9 8 A I E -A 150 0A 0 141,-3.4 141,-3.2 -2,-0.7 2,-0.2 -0.878 8.0-151.0-104.5 114.8 14.2 -7.7 19.4 10 9 A S E > -A 149 0A 57 -2,-0.6 3,-1.6 139,-0.2 127,-0.3 -0.543 39.6 -84.5 -81.4 145.9 17.6 -8.3 20.9 11 10 A A T 3 S+ 0 0 26 137,-2.9 127,-0.2 1,-0.3 -1,-0.1 -0.200 116.7 18.7 -49.9 128.5 17.8 -9.4 24.5 12 11 A G T 3 S+ 0 0 45 125,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.666 109.5 94.9 83.6 16.5 17.7 -6.3 26.8 13 12 A T E < -F 137 0B 65 -3,-1.6 124,-1.9 124,-1.1 -1,-0.3 -0.776 55.8-147.0-130.5 176.3 16.3 -4.0 24.2 14 13 A S E -F 136 0B 74 -2,-0.2 2,-0.3 122,-0.2 122,-0.3 -0.880 7.2-144.4-137.8 168.8 12.9 -2.6 23.1 15 14 A V E -F 135 0B 26 120,-2.6 120,-2.0 -2,-0.3 2,-0.5 -0.992 15.8-124.7-140.1 147.2 11.2 -1.5 19.9 16 15 A D E -F 134 0B 129 -2,-0.3 118,-0.2 118,-0.2 2,-0.2 -0.774 35.1-120.3 -89.2 132.0 8.7 1.2 18.9 17 16 A L E - 0 0 22 116,-3.0 -1,-0.0 -2,-0.5 -10,-0.0 -0.518 8.3-151.3 -75.8 139.2 5.7 -0.2 17.1 18 17 A A E S+ 0 0 77 1,-0.3 -1,-0.1 -2,-0.2 116,-0.0 0.690 96.6 24.4 -77.5 -23.2 5.0 1.0 13.6 19 18 A A E S- 0 0 23 114,-0.1 -1,-0.3 -16,-0.0 -14,-0.1 -0.922 94.6-125.2-144.8 113.0 1.3 0.3 14.3 20 19 A P E - 0 0 62 0, 0.0 2,-0.5 0, 0.0 113,-0.2 -0.139 22.9-118.0 -57.2 154.1 0.1 0.3 17.9 21 20 A V E +F 132 0B 2 111,-2.9 111,-3.1 135,-0.1 2,-0.2 -0.864 42.6 161.5-100.7 127.0 -1.7 -2.7 19.3 22 21 A T > - 0 0 69 -2,-0.5 3,-2.4 109,-0.2 85,-0.3 -0.642 48.7 -38.8-130.1-173.4 -5.2 -2.2 20.5 23 22 A T T 3 S+ 0 0 67 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.259 127.8 22.9 -54.6 129.9 -8.3 -4.3 21.2 24 23 A G T 3 S+ 0 0 29 83,-3.1 -1,-0.3 1,-0.4 84,-0.1 0.131 100.4 118.2 99.1 -17.6 -8.8 -7.1 18.7 25 24 A D < - 0 0 2 -3,-2.4 82,-2.6 82,-0.1 -1,-0.4 -0.349 50.6-143.4 -84.2 163.9 -5.1 -7.1 17.8 26 25 A I E -BC 106 155A 3 129,-2.6 129,-2.7 80,-0.2 2,-0.4 -0.940 12.0-173.7-129.4 146.9 -2.5 -9.8 18.1 27 26 A V E -BC 105 154A 0 78,-1.8 78,-3.4 -2,-0.3 2,-0.4 -0.997 5.9-170.2-139.4 132.1 1.2 -10.0 19.0 28 27 A T E -BC 104 153A 0 125,-2.7 125,-2.5 -2,-0.4 2,-0.6 -0.986 10.1-154.1-128.7 128.6 3.4 -13.1 18.8 29 28 A F E -BC 103 152A 2 74,-3.9 74,-2.9 -2,-0.4 2,-0.5 -0.874 14.1-159.5 -99.7 124.9 7.0 -13.4 20.1 30 29 A F E -BC 102 151A 24 121,-3.3 121,-2.2 -2,-0.6 2,-0.5 -0.915 5.1-167.3-109.6 126.0 9.0 -16.1 18.4 31 30 A S E -BC 101 150A 5 70,-2.6 70,-2.2 -2,-0.5 119,-0.1 -0.937 15.3-157.6-112.6 130.5 12.1 -17.6 19.9 32 31 A S S S+ 0 0 95 117,-0.5 2,-0.3 -2,-0.5 -1,-0.1 0.242 81.0 41.5 -86.8 12.1 14.6 -19.7 17.9 33 32 A A - 0 0 34 68,-0.1 114,-0.5 114,-0.1 2,-0.2 -0.949 59.5-162.6-149.7 166.1 15.8 -21.3 21.1 34 33 A L + 0 0 31 -2,-0.3 2,-0.7 112,-0.2 65,-0.4 -0.718 11.2 173.2-157.9 99.0 14.4 -22.7 24.3 35 34 A N > + 0 0 79 110,-2.4 3,-0.9 -2,-0.2 111,-0.0 -0.852 4.5 172.8-113.5 96.3 16.8 -23.3 27.3 36 35 A L T 3 S+ 0 0 38 -2,-0.7 55,-0.1 1,-0.3 -1,-0.1 0.271 79.5 56.1 -85.7 12.7 14.7 -24.3 30.3 37 36 A N T 3 S+ 0 0 146 108,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.075 71.9 128.2-131.3 31.7 17.9 -25.0 32.2 38 37 A A S < S- 0 0 17 -3,-0.9 105,-0.2 1,-0.2 3,-0.1 -0.085 73.1 -76.5 -70.7-172.7 19.7 -21.7 31.9 39 38 A G - 0 0 42 103,-0.6 2,-0.2 1,-0.2 26,-0.2 0.134 64.8 -67.7 -72.0-161.5 20.8 -20.4 35.3 40 39 A A - 0 0 61 25,-0.1 -1,-0.2 1,-0.1 4,-0.1 -0.606 57.9-113.2 -83.6 151.7 18.5 -18.8 37.9 41 40 A G - 0 0 14 2,-0.5 4,-0.3 -2,-0.2 3,-0.2 -0.145 24.7-106.2 -76.2-178.6 17.1 -15.4 36.8 42 41 A N S S- 0 0 125 2,-1.8 3,-0.1 101,-0.0 -1,-0.1 -0.241 97.5 -57.9-128.4 51.8 17.9 -12.1 38.5 43 42 A P S S+ 0 0 62 0, 0.0 -2,-0.5 0, 0.0 2,-0.3 -0.997 145.3 55.8 -87.3 -7.2 15.2 -12.8 39.5 44 43 A N - 0 0 35 -3,-0.2 -2,-1.8 1,-0.2 20,-0.2 -0.658 50.2-172.5 -88.7 140.1 13.8 -12.9 35.9 45 44 A N S S- 0 0 1 18,-2.7 95,-0.4 1,-0.4 2,-0.3 0.823 80.7 -2.9 -90.9 -43.1 15.3 -15.1 33.2 46 45 A T E -G 63 0B 0 17,-1.2 17,-3.3 98,-0.2 -1,-0.4 -0.993 62.9-170.8-152.3 139.6 13.2 -13.6 30.5 47 46 A T E -GH 62 138B 4 91,-1.6 91,-1.9 -2,-0.3 2,-0.4 -0.992 6.5-162.2-134.4 141.8 10.6 -10.9 30.3 48 47 A L E -GH 61 137B 1 13,-2.2 13,-2.5 -2,-0.4 2,-0.4 -0.995 20.6-164.1-121.6 127.7 8.3 -9.9 27.4 49 48 A N E -GH 60 136B 3 87,-2.8 87,-1.7 -2,-0.4 2,-0.6 -0.941 23.9-161.6-127.3 142.0 6.7 -6.5 27.7 50 49 A L E -GH 59 135B 0 9,-2.5 9,-1.6 -2,-0.4 8,-1.4 -0.972 27.7-164.9-111.3 118.4 3.8 -4.6 26.1 51 50 A F E -GH 57 134B 30 83,-3.2 82,-2.6 -2,-0.6 83,-1.7 -0.844 15.4-137.3-111.2 147.0 4.2 -0.9 26.9 52 51 A A E > - H 0 132B 10 4,-2.4 3,-2.1 -2,-0.3 80,-0.2 -0.528 39.2-101.4 -89.0 164.5 1.8 2.0 26.6 53 52 A E T 3 S+ 0 0 165 78,-0.5 -1,-0.1 1,-0.3 79,-0.1 0.866 122.4 58.2 -55.4 -37.1 3.2 5.3 25.2 54 53 A N T 3 S- 0 0 101 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.500 124.5-101.2 -74.7 -0.6 3.5 6.8 28.6 55 54 A G S < S+ 0 0 35 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.364 71.9 148.3 99.3 -5.0 5.8 4.0 29.7 56 55 A A - 0 0 1 1,-0.1 -4,-2.4 -5,-0.1 2,-1.2 -0.336 53.3-123.0 -64.9 144.8 3.2 1.9 31.6 57 56 A Y E +GI 51 75B 62 18,-3.1 18,-1.5 -6,-0.2 3,-0.2 -0.774 31.2 179.1 -87.8 93.5 3.7 -1.8 31.6 58 57 A L E S+ 0 0 0 -8,-1.4 69,-0.4 -2,-1.2 2,-0.3 0.906 77.4 5.8 -62.5 -39.5 0.3 -2.9 30.2 59 58 A L E -G 50 0B 0 -9,-1.6 -9,-2.5 -3,-0.2 2,-0.5 -0.932 66.2-173.6-151.3 122.9 1.5 -6.5 30.3 60 59 A H E -GI 49 73B 15 13,-2.5 13,-1.9 -2,-0.3 2,-0.6 -0.977 5.3-169.9-117.6 119.5 4.7 -7.8 31.8 61 60 A I E -GI 48 72B 1 -13,-2.5 -13,-2.2 -2,-0.5 2,-0.5 -0.951 9.6-176.4-114.1 110.6 5.4 -11.6 31.3 62 61 A A E -GI 47 71B 0 9,-3.0 9,-3.1 -2,-0.6 2,-0.5 -0.933 13.2-155.6-115.7 127.0 8.3 -12.8 33.4 63 62 A F E -GI 46 70B 0 -17,-3.3 -18,-2.7 -2,-0.5 -17,-1.2 -0.854 10.3-173.5 -99.7 126.0 9.7 -16.4 33.3 64 63 A R E >> - I 0 69B 28 5,-2.6 5,-1.9 -2,-0.5 4,-0.8 -0.923 10.7-174.7-124.8 106.3 11.6 -17.5 36.4 65 64 A L T 45S+ 0 0 32 -2,-0.5 -1,-0.1 -26,-0.2 -25,-0.1 0.873 85.6 51.4 -65.5 -39.5 13.3 -20.9 36.2 66 65 A Q T 45S+ 0 0 83 -23,-0.2 -1,-0.2 1,-0.2 -26,-0.1 0.811 117.4 38.3 -71.4 -28.6 14.4 -21.0 39.9 67 66 A E T 45S- 0 0 76 -24,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.533 104.0-135.5 -93.6 -9.3 10.9 -20.3 41.1 68 67 A N T <5 + 0 0 77 -4,-0.8 21,-2.0 1,-0.2 2,-0.3 0.939 64.1 112.9 52.8 53.2 9.4 -22.5 38.4 69 68 A V E < -IJ 64 88B 5 -5,-1.9 -5,-2.6 19,-0.2 2,-0.5 -0.990 62.6-138.0-151.8 155.8 6.8 -19.9 37.6 70 69 A I E -IJ 63 87B 0 17,-2.2 17,-1.8 -2,-0.3 2,-0.4 -0.986 28.0-156.7-115.4 122.6 5.6 -17.5 34.9 71 70 A I E -IJ 62 86B 1 -9,-3.1 -9,-3.0 -2,-0.5 2,-0.4 -0.818 9.1-166.6-106.0 143.0 4.5 -14.1 36.3 72 71 A F E +IJ 61 85B 1 13,-2.7 13,-2.3 -2,-0.4 2,-0.3 -0.992 24.6 144.0-126.2 131.7 2.1 -11.7 34.7 73 72 A N E -I 60 0B 2 -13,-1.9 -13,-2.5 -2,-0.4 2,-0.3 -0.935 32.2-139.6-155.9 177.5 1.8 -8.1 36.0 74 73 A S E - 0 0 0 -2,-0.3 8,-2.4 -15,-0.2 2,-0.3 -0.907 13.5-172.1-139.8 165.1 1.3 -4.4 35.1 75 74 A R E -IK 57 81B 85 -18,-1.5 -18,-3.1 -2,-0.3 6,-0.1 -0.921 22.0-123.7-164.7 135.4 2.7 -1.2 36.4 76 75 A Q > - 0 0 82 4,-0.6 3,-1.1 -2,-0.3 -21,-0.0 -0.333 44.4 -94.9 -75.6 162.6 2.1 2.5 35.9 77 76 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.839 120.5 7.5 -46.8 -41.8 4.9 4.8 34.6 78 77 A D T 3 S+ 0 0 167 2,-0.1 -23,-0.0 0, 0.0 -22,-0.0 0.008 113.0 99.3-132.4 29.9 5.9 5.9 38.1 79 78 A G S < S- 0 0 18 -3,-1.1 3,-0.1 1,-0.1 2,-0.0 -0.593 76.6 -86.1-110.7 174.2 3.8 3.6 40.3 80 79 A P - 0 0 97 0, 0.0 -4,-0.6 0, 0.0 -1,-0.1 -0.325 53.0 -86.3 -77.1 161.0 4.4 0.3 42.1 81 80 A W B -K 75 0B 94 -6,-0.1 -6,-0.2 1,-0.1 3,-0.1 -0.420 53.7-136.3 -62.3 143.1 4.2 -3.1 40.5 82 81 A L - 0 0 55 -8,-2.4 2,-0.6 1,-0.2 -1,-0.1 0.151 45.5 -34.9 -88.1-155.1 0.6 -4.2 40.8 83 82 A V - 0 0 94 1,-0.1 -1,-0.2 -10,-0.0 2,-0.1 -0.549 64.6-134.3 -72.6 113.1 -1.0 -7.5 41.7 84 83 A E - 0 0 79 -2,-0.6 2,-0.4 -3,-0.1 -11,-0.2 -0.410 14.5-160.5 -70.0 138.3 1.1 -10.4 40.5 85 84 A Q E -J 72 0B 89 -13,-2.3 -13,-2.7 -2,-0.1 2,-0.3 -0.960 14.5-166.0-115.6 134.5 -0.5 -13.3 38.7 86 85 A R E -J 71 0B 118 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.931 17.6-167.5-127.8 150.9 1.5 -16.6 38.6 87 86 A V E -J 70 0B 30 -17,-1.8 -17,-2.2 -2,-0.3 -2,-0.0 -0.969 24.9-135.6-136.2 116.8 1.3 -19.8 36.7 88 87 A S E +J 69 0B 90 -2,-0.4 -19,-0.2 -19,-0.2 -20,-0.1 -0.242 68.9 40.8 -74.0 159.9 3.5 -22.7 37.9 89 88 A D > - 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