==== 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 2ZGT . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR D.F.LI,N.YANG,D.C.WANG . 281 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 75.1 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 . 145 51.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 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 . 1 0 2 0 7 7 2 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 0 176 0, 0.0 141,-0.2 0, 0.0 142,-0.1 0.000 360.0 360.0 360.0 140.4 0.0 -20.5 0.8 2 1 A Q + 0 0 46 139,-0.3 2,-0.3 140,-0.1 139,-0.3 -0.325 360.0 168.5 -61.4 132.8 0.5 -17.1 -0.9 3 2 A G E -A 140 0A 18 137,-2.5 137,-2.5 -2,-0.1 2,-0.5 -0.998 30.0-136.2-148.6 151.4 -1.8 -14.4 0.5 4 3 A V E -A 139 0A 3 247,-0.3 2,-0.4 -2,-0.3 135,-0.2 -0.928 20.4-175.6-112.2 131.7 -2.4 -10.6 0.4 5 4 A N E -A 138 0A 24 133,-1.7 133,-2.5 -2,-0.5 2,-0.4 -0.983 8.1-157.8-126.4 135.5 -3.2 -8.7 3.6 6 5 A I E -A 137 0A 24 -2,-0.4 2,-0.3 131,-0.2 131,-0.2 -0.918 11.5-177.4-115.5 139.2 -4.0 -5.0 3.7 7 6 A Y E -A 136 0A 24 129,-2.6 129,-2.9 -2,-0.4 2,-0.6 -0.995 20.9-148.9-138.3 144.3 -3.6 -2.9 6.8 8 7 A N E -A 135 0A 98 -2,-0.3 2,-0.7 127,-0.2 127,-0.2 -0.930 20.7-163.3-112.8 105.1 -4.3 0.8 7.7 9 8 A I E -A 134 0A 0 125,-2.9 125,-2.2 -2,-0.6 2,-0.1 -0.807 7.1-147.9 -99.6 110.3 -1.8 2.0 10.3 10 9 A S E > -A 133 0A 55 -2,-0.7 3,-1.6 123,-0.2 117,-0.4 -0.430 39.5 -88.9 -70.5 142.0 -2.7 5.2 12.2 11 10 A A T 3 S+ 0 0 20 121,-3.8 117,-0.3 1,-0.3 -1,-0.1 -0.272 114.4 19.6 -54.6 130.2 0.3 7.3 13.2 12 11 A G T 3 S+ 0 0 46 115,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.629 109.8 90.7 84.8 15.2 1.5 6.2 16.6 13 12 A T E < -F 127 0B 65 -3,-1.6 114,-1.6 114,-0.9 -1,-0.3 -0.905 59.3-141.7-136.6 164.5 -0.1 2.8 16.6 14 13 A S E -F 126 0B 70 -2,-0.3 2,-0.4 112,-0.2 112,-0.3 -0.705 9.9-135.8-121.0 172.9 0.8 -0.8 15.6 15 14 A V E -F 125 0B 25 110,-3.3 110,-1.9 -2,-0.2 2,-0.5 -0.997 12.4-131.8-136.6 133.6 -1.1 -3.7 13.9 16 15 A D E -F 124 0B 126 -2,-0.4 2,-0.3 108,-0.2 108,-0.2 -0.710 35.2-125.0 -79.0 124.9 -1.2 -7.4 14.7 17 16 A L E - 0 0 18 106,-2.1 -1,-0.0 -2,-0.5 -10,-0.0 -0.581 7.4-149.2 -76.4 132.8 -0.6 -9.2 11.4 18 17 A A E S+ 0 0 86 -2,-0.3 -1,-0.1 1,-0.3 105,-0.0 0.610 97.0 30.8 -74.0 -11.6 -3.3 -11.7 10.4 19 18 A A E S- 0 0 20 103,-0.1 -1,-0.3 -16,-0.0 -14,-0.1 -0.875 93.9-127.6-147.9 108.4 -0.4 -13.6 8.7 20 19 A P E - 0 0 63 0, 0.0 2,-0.6 0, 0.0 121,-0.3 -0.101 20.1-119.3 -55.9 155.3 3.1 -13.3 10.1 21 20 A V E +F 122 0B 0 101,-2.7 101,-1.9 119,-0.1 2,-0.2 -0.877 44.3 160.4 -99.8 118.4 6.0 -12.3 7.9 22 21 A T > - 0 0 62 -2,-0.6 3,-2.1 99,-0.2 75,-0.3 -0.545 49.6 -37.5-123.2-168.7 8.7 -14.9 7.6 23 22 A T T 3 S+ 0 0 75 1,-0.3 75,-0.2 -2,-0.2 -1,-0.2 -0.296 129.1 21.3 -57.5 129.6 11.6 -15.8 5.2 24 23 A G T 3 S+ 0 0 34 73,-3.6 -1,-0.3 1,-0.3 2,-0.2 0.468 99.6 122.0 91.2 2.5 10.6 -15.1 1.6 25 24 A D < - 0 0 4 -3,-2.1 72,-2.7 72,-0.4 -1,-0.3 -0.642 46.8-149.4 -99.6 158.2 7.8 -12.7 2.6 26 25 A I E -BC 96 139A 1 113,-2.3 113,-2.0 -2,-0.2 2,-0.3 -0.864 11.0-174.5-124.5 156.7 7.3 -9.1 1.6 27 26 A V E -BC 95 138A 1 68,-1.1 68,-3.4 -2,-0.3 2,-0.4 -0.973 5.0-169.4-149.4 138.7 5.8 -6.0 3.2 28 27 A T E -BC 94 137A 0 109,-2.0 109,-2.1 -2,-0.3 2,-0.4 -0.990 8.0-154.5-136.7 126.9 5.3 -2.6 1.7 29 28 A F E -BC 93 136A 1 64,-2.1 64,-1.7 -2,-0.4 2,-0.6 -0.788 7.1-151.9 -98.0 140.8 4.2 0.6 3.4 30 29 A F E +BC 92 135A 4 105,-2.4 105,-1.7 -2,-0.4 2,-0.4 -0.947 23.4 167.5-114.2 110.9 2.5 3.3 1.4 31 30 A S - 0 0 5 60,-2.4 3,-0.2 -2,-0.6 103,-0.1 -0.858 25.6-174.0-133.3 104.6 3.1 6.8 2.9 32 31 A S S S+ 0 0 70 -2,-0.4 2,-1.4 101,-0.3 -1,-0.1 0.665 76.0 88.0 -64.4 -15.7 2.3 10.0 1.1 33 32 A A 0 0 48 58,-0.1 -1,-0.3 100,-0.1 57,-0.1 -0.162 360.0 360.0 -79.0 43.0 4.0 11.9 4.0 34 33 A L 0 0 82 -2,-1.4 -2,-0.1 55,-0.3 51,-0.0 -0.743 360.0 360.0 169.8 360.0 7.3 11.6 2.1 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 42 A P 0 0 87 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.1 7.7 15.6 9.9 37 43 A N + 0 0 79 1,-0.2 21,-3.0 20,-0.1 2,-0.4 0.490 360.0 55.9 -79.6 -3.3 11.4 15.4 10.0 38 44 A N E +G 57 0B 68 19,-0.2 2,-0.3 20,-0.1 -1,-0.2 -0.885 63.2 152.7-136.8 103.6 11.1 12.2 12.1 39 45 A T E -G 56 0B 8 17,-1.1 17,-3.4 -2,-0.4 2,-0.3 -0.919 17.9-168.5-125.2 152.3 9.1 9.2 10.8 40 46 A T E -GH 55 128B 27 88,-1.6 88,-2.0 -2,-0.3 2,-0.4 -0.993 12.8-165.5-145.7 151.8 9.5 5.6 11.7 41 47 A L E -GH 54 127B 3 13,-2.7 13,-3.1 -2,-0.3 2,-0.4 -0.999 16.2-165.8-135.8 135.0 8.4 2.2 10.6 42 48 A N E -GH 53 126B 7 84,-2.3 84,-1.4 -2,-0.4 2,-0.7 -0.973 21.4-153.8-133.3 140.4 8.8 -1.0 12.6 43 49 A L E -GH 52 125B 3 9,-2.8 9,-1.6 -2,-0.4 8,-1.1 -0.942 31.5-163.5-105.4 113.8 8.6 -4.7 12.1 44 50 A F E -GH 50 124B 29 80,-3.9 80,-2.0 -2,-0.7 79,-2.0 -0.761 11.7-144.6-104.7 150.3 7.7 -6.2 15.5 45 51 A A E > - H 0 122B 9 4,-2.3 3,-2.0 -2,-0.3 77,-0.1 -0.670 36.3-100.1-103.4 159.7 7.9 -9.7 16.8 46 52 A E T 3 S+ 0 0 161 75,-0.5 -1,-0.1 1,-0.3 76,-0.1 0.872 121.5 58.3 -43.7 -51.0 5.5 -11.3 19.3 47 53 A N T 3 S- 0 0 102 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.177 123.3-104.3 -71.4 21.5 7.8 -10.8 22.3 48 54 A G S < S+ 0 0 34 -3,-2.0 -2,-0.2 1,-0.2 2,-0.1 0.591 72.7 148.7 68.3 11.1 7.7 -7.0 21.5 49 55 A A - 0 0 0 -4,-0.1 -4,-2.3 1,-0.1 2,-1.2 -0.475 53.4-121.9 -78.4 149.8 11.2 -7.1 20.0 50 56 A Y E +GI 44 68B 45 18,-2.6 18,-1.4 1,-0.2 3,-0.2 -0.756 30.5 177.2 -92.0 89.7 12.1 -4.7 17.2 51 57 A L E S+ 0 0 1 -2,-1.2 66,-0.4 -8,-1.1 2,-0.4 0.957 78.8 6.7 -56.9 -47.5 13.1 -7.1 14.4 52 58 A L E -G 43 0B 1 -9,-1.6 -9,-2.8 -3,-0.2 2,-0.5 -0.991 65.7-172.3-142.1 129.9 13.6 -4.0 12.2 53 59 A H E -GI 42 66B 31 13,-2.3 13,-2.0 -2,-0.4 2,-0.6 -0.947 6.1-172.4-124.4 107.4 13.4 -0.3 13.1 54 60 A I E -GI 41 65B 4 -13,-3.1 -13,-2.7 -2,-0.5 2,-0.4 -0.900 7.1-178.0-104.3 120.5 13.5 2.2 10.2 55 61 A A E -GI 40 64B 7 9,-3.2 9,-3.4 -2,-0.6 2,-0.9 -0.970 19.4-150.6-123.5 128.5 13.8 5.8 11.2 56 62 A F E -GI 39 63B 19 -17,-3.4 -17,-1.1 -2,-0.4 2,-0.7 -0.819 16.7-175.4 -98.3 99.4 13.9 8.8 8.9 57 63 A R E > +GI 38 62B 66 5,-1.8 5,-2.2 -2,-0.9 3,-0.3 -0.858 9.2 172.6 -97.6 110.4 15.9 11.6 10.6 58 64 A L T > 5S+ 0 0 92 -21,-3.0 3,-0.7 -2,-0.7 -1,-0.2 0.794 72.5 67.6 -87.6 -32.0 15.8 14.8 8.5 59 65 A Q T 3 5S+ 0 0 117 -22,-0.4 -1,-0.2 1,-0.3 -21,-0.1 0.369 119.3 30.7 -69.8 11.8 17.5 17.2 10.8 60 66 A E T 3 5S- 0 0 85 -3,-0.3 -1,-0.3 -23,-0.2 -2,-0.2 0.312 105.3-130.8-143.0 -7.9 20.4 14.9 10.0 61 67 A N T < 5 + 0 0 102 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.958 66.6 116.7 44.4 71.3 19.5 13.9 6.5 62 68 A V E < -I 57 0B 8 -5,-2.2 -5,-1.8 2,-0.0 2,-0.4 -0.976 61.7-131.5-161.1 151.3 20.0 10.2 7.2 63 69 A I E -IJ 56 80B 5 17,-2.5 17,-2.3 -2,-0.3 2,-0.5 -0.900 26.8-150.2-107.2 139.6 17.9 7.0 7.3 64 70 A I E -IJ 55 79B 2 -9,-3.4 -9,-3.2 -2,-0.4 2,-0.5 -0.951 13.0-173.2-120.3 129.8 18.4 4.8 10.4 65 71 A F E +IJ 54 78B 0 13,-3.2 13,-3.3 -2,-0.5 2,-0.3 -0.965 20.6 147.3-118.9 129.2 18.1 1.1 10.7 66 72 A N E -I 53 0B 8 -13,-2.0 -13,-2.3 -2,-0.5 2,-0.3 -0.971 30.8-144.6-154.2 168.5 18.2 -0.8 14.0 67 73 A S E - 0 0 0 -2,-0.3 8,-1.7 -15,-0.2 2,-0.3 -0.916 14.1-175.1-132.2 159.2 17.1 -3.7 16.1 68 74 A R E -IK 50 74B 67 -18,-1.4 -18,-2.6 -2,-0.3 6,-0.1 -0.953 24.9-123.0-158.8 133.4 16.3 -4.1 19.8 69 75 A Q - 0 0 81 4,-0.5 -21,-0.0 -2,-0.3 49,-0.0 -0.362 39.1-106.3 -70.4 160.9 15.4 -7.0 22.1 70 76 A P S S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.933 120.5 20.1 -52.7 -50.3 12.1 -6.5 24.0 71 77 A D S S+ 0 0 146 2,-0.1 -23,-0.0 -22,-0.0 -2,-0.0 0.778 115.3 91.0 -88.4 -33.0 13.9 -5.9 27.3 72 78 A G S S- 0 0 21 1,-0.1 2,-0.2 0, 0.0 3,-0.1 0.149 76.2-104.1 -62.8 175.6 17.3 -5.0 25.7 73 79 A P - 0 0 97 0, 0.0 -4,-0.5 0, 0.0 -1,-0.1 -0.550 51.8 -75.5 -95.6 161.4 18.9 -1.6 24.5 74 80 A W B -K 68 0B 96 -2,-0.2 -6,-0.2 -6,-0.1 2,-0.1 -0.184 53.6-149.3 -58.6 153.1 19.2 -0.5 20.9 75 81 A L - 0 0 67 -8,-1.7 2,-1.0 1,-0.1 -1,-0.1 -0.241 47.1 -23.4-111.1-161.2 21.9 -2.2 18.9 76 82 A V - 0 0 97 -2,-0.1 -1,-0.1 1,-0.1 -11,-0.0 -0.234 67.9-145.5 -52.7 90.9 24.3 -1.5 16.1 77 83 A E - 0 0 63 -2,-1.0 2,-0.5 -11,-0.1 -11,-0.2 -0.340 7.1-148.4 -60.8 136.4 22.5 1.4 14.3 78 84 A Q E -J 65 0B 85 -13,-3.3 -13,-3.2 -2,-0.0 2,-0.4 -0.930 11.6-159.2-109.5 130.8 22.9 1.3 10.6 79 85 A R E -J 64 0B 124 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.939 7.1-166.5-118.6 133.9 22.9 4.7 8.8 80 86 A V E -J 63 0B 30 -17,-2.3 -17,-2.5 -2,-0.4 32,-0.1 -0.962 23.4-130.1-117.9 131.3 22.2 5.4 5.2 81 87 A S 0 0 104 -2,-0.4 -1,-0.2 -19,-0.2 -18,-0.1 0.912 360.0 360.0 -39.4 -87.7 23.0 8.7 3.5 82 88 A D 0 0 117 -20,-0.2 -1,-0.1 29,-0.1 -20,-0.0 -0.550 360.0 360.0 178.7 360.0 19.8 9.5 1.8 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 93 A G 0 0 103 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 176.9 13.0 8.7 -7.1 85 94 A A + 0 0 85 22,-0.1 2,-0.1 6,-0.1 6,-0.1 -0.947 360.0 101.0-155.5 130.1 9.5 9.0 -5.7 86 95 A G + 0 0 35 -2,-0.3 5,-0.1 4,-0.2 63,-0.1 -0.459 10.0 120.1 153.8 133.2 6.0 8.2 -7.0 87 96 A I S S- 0 0 12 -2,-0.1 4,-0.1 3,-0.1 63,-0.0 0.066 105.6 -15.1-163.7 -55.6 3.0 5.9 -7.1 88 97 A D S S- 0 0 65 190,-0.0 3,-0.1 2,-0.0 -56,-0.1 -0.227 116.6 -66.3-157.2 43.8 0.0 7.8 -5.9 89 98 A G S S+ 0 0 60 1,-0.3 -55,-0.3 -58,-0.0 2,-0.1 0.723 113.6 108.1 71.8 19.2 1.7 10.8 -4.2 90 99 A K - 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