==== 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 2ZGO . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR D.F.LI,N.YANG,D.C.WANG . 333 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 43.2 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 54 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.7 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 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 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 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 . 1 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 0 A M 0 0 148 0, 0.0 157,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 163.0 24.6 29.2 -3.4 2 1 A Q + 0 0 37 156,-0.1 2,-0.3 155,-0.1 155,-0.2 -0.376 360.0 170.1 -68.6 143.3 21.2 27.7 -4.4 3 2 A G E -A 156 0A 19 153,-1.6 153,-1.9 -2,-0.1 2,-0.4 -0.991 27.5-138.4-153.0 156.5 18.7 30.1 -5.9 4 3 A V E -A 155 0A 2 282,-0.3 2,-0.4 -2,-0.3 151,-0.2 -0.976 17.9-173.8-121.5 128.5 15.3 30.1 -7.6 5 4 A N E -A 154 0A 29 149,-2.0 149,-2.4 -2,-0.4 2,-0.4 -0.969 8.7-154.1-122.6 139.3 14.5 32.3 -10.6 6 5 A I E +A 153 0A 22 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.947 12.2 179.3-117.9 132.8 11.1 32.6 -12.2 7 6 A Y E -A 152 0A 26 145,-3.1 145,-3.5 -2,-0.4 2,-0.8 -0.997 17.7-153.4-133.0 130.9 10.4 33.6 -15.8 8 7 A N E -A 151 0A 94 -2,-0.4 2,-0.7 143,-0.2 143,-0.2 -0.897 20.4-164.5-105.7 106.4 7.0 33.9 -17.5 9 8 A I E -A 150 0A 2 141,-3.0 141,-2.4 -2,-0.8 2,-0.1 -0.820 7.7-148.2-100.1 112.5 7.6 33.3 -21.2 10 9 A S E > -A 149 0A 57 -2,-0.7 3,-1.5 139,-0.2 127,-0.3 -0.424 41.6 -84.9 -72.3 150.2 4.9 34.2 -23.7 11 10 A A T 3 S+ 0 0 26 137,-2.3 127,-0.2 1,-0.3 -1,-0.1 -0.321 117.0 23.4 -57.4 126.8 4.7 32.1 -26.8 12 11 A G T 3 S+ 0 0 46 125,-2.7 -1,-0.3 1,-0.4 2,-0.2 0.611 107.0 95.0 92.1 13.3 7.2 33.3 -29.4 13 12 A T E < -F 137 0B 63 -3,-1.5 124,-1.9 124,-1.2 -1,-0.4 -0.784 52.6-155.9-129.3 172.8 9.5 35.0 -27.0 14 13 A S E -F 136 0B 72 -2,-0.2 2,-0.3 122,-0.2 122,-0.3 -0.930 6.2-151.5-143.5 164.7 12.8 34.2 -25.1 15 14 A V E -F 135 0B 39 120,-2.7 120,-2.3 -2,-0.3 2,-0.3 -0.995 17.0-123.0-143.8 149.0 14.5 35.5 -22.0 16 15 A D E -F 134 0B 132 -2,-0.3 118,-0.3 118,-0.2 2,-0.3 -0.698 36.4-117.5 -87.5 142.3 18.0 35.8 -20.7 17 16 A L E - 0 0 20 116,-3.3 -1,-0.0 -2,-0.3 -10,-0.0 -0.593 5.5-147.8 -82.9 142.1 18.6 34.0 -17.4 18 17 A A E S+ 0 0 81 1,-0.3 -1,-0.1 -2,-0.3 116,-0.0 0.794 99.1 28.6 -73.7 -29.1 19.6 36.1 -14.3 19 18 A A E S- 0 0 23 -3,-0.0 -1,-0.3 -16,-0.0 -14,-0.1 -0.978 95.3-122.5-134.8 118.9 21.6 33.0 -13.3 20 19 A P E - 0 0 61 0, 0.0 2,-0.6 0, 0.0 113,-0.2 -0.177 21.1-121.0 -59.5 149.0 22.9 30.6 -16.0 21 20 A V E +F 132 0B 2 111,-2.4 111,-2.8 135,-0.1 2,-0.2 -0.841 45.0 162.2 -94.3 123.2 22.0 26.9 -16.0 22 21 A T > - 0 0 63 -2,-0.6 3,-2.8 109,-0.2 85,-0.3 -0.661 46.6 -40.5-129.1-175.2 25.0 24.7 -15.7 23 22 A T T 3 S+ 0 0 66 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.219 129.0 21.6 -51.1 130.7 25.9 21.2 -14.8 24 23 A G T 3 S+ 0 0 29 83,-3.4 -1,-0.3 1,-0.3 84,-0.1 0.267 102.1 118.5 92.1 -9.2 23.9 20.0 -11.8 25 24 A D < - 0 0 4 -3,-2.8 82,-2.6 82,-0.2 2,-0.3 -0.439 48.4-149.3 -91.2 164.8 21.2 22.6 -12.4 26 25 A I E -BC 106 155A 3 129,-2.1 129,-3.2 80,-0.2 2,-0.4 -0.979 11.1-173.2-136.5 146.3 17.5 22.2 -13.3 27 26 A V E -BC 105 154A 0 78,-1.9 78,-3.0 -2,-0.3 2,-0.4 -1.000 5.9-168.9-137.3 134.9 14.8 24.1 -15.2 28 27 A T E -BC 104 153A 0 125,-2.2 125,-2.4 -2,-0.4 2,-0.5 -0.993 10.0-152.8-128.7 129.7 11.1 23.2 -15.4 29 28 A F E -BC 103 152A 4 74,-2.9 74,-2.2 -2,-0.4 2,-0.5 -0.884 14.8-157.4 -99.9 127.9 8.6 24.7 -17.8 30 29 A F E -BC 102 151A 29 121,-3.2 121,-2.3 -2,-0.5 2,-0.4 -0.933 6.2-167.1-110.8 125.9 5.1 24.8 -16.4 31 30 A S E -BC 101 150A 7 70,-3.1 70,-2.1 -2,-0.5 119,-0.1 -0.930 17.1-154.7-113.6 136.4 2.1 25.0 -18.7 32 31 A S S S+ 0 0 95 117,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.199 81.0 40.0 -91.0 14.9 -1.4 25.8 -17.5 33 32 A A - 0 0 22 68,-0.1 114,-0.5 114,-0.1 2,-0.3 -0.986 59.4-155.0-156.8 156.8 -3.0 23.9 -20.4 34 33 A L - 0 0 26 -2,-0.3 2,-1.0 112,-0.2 65,-0.4 -0.853 12.6-176.8-139.1 99.5 -2.5 20.8 -22.5 35 34 A N > + 0 0 68 110,-2.2 3,-1.6 -2,-0.3 111,-0.1 -0.682 11.4 166.7-100.7 79.1 -3.9 21.0 -26.0 36 35 A L T 3 S+ 0 0 74 -2,-1.0 -1,-0.2 1,-0.3 55,-0.1 0.439 79.1 51.8 -71.8 1.8 -3.3 17.6 -27.5 37 36 A N T 3 S+ 0 0 154 -3,-0.1 -1,-0.3 108,-0.1 3,-0.1 0.148 81.4 136.8-122.7 16.8 -5.7 18.5 -30.3 38 37 A A < - 0 0 16 -3,-1.6 105,-0.2 1,-0.1 3,-0.1 0.032 62.8 -71.2 -58.6 170.4 -4.2 21.9 -31.4 39 38 A G - 0 0 32 103,-1.5 26,-0.2 1,-0.1 2,-0.2 0.078 66.6 -72.6 -56.6 174.8 -3.7 22.9 -35.0 40 39 A A - 0 0 54 25,-0.1 -1,-0.1 1,-0.1 4,-0.1 -0.488 50.1-123.6 -73.1 139.5 -1.1 21.3 -37.3 41 40 A G - 0 0 18 2,-0.3 4,-0.2 -2,-0.2 3,-0.2 -0.235 13.3-123.5 -75.2 171.3 2.6 22.2 -36.6 42 41 A N S S- 0 0 135 2,-1.1 -1,-0.1 -2,-0.0 3,-0.0 -0.251 94.2 -58.0-135.8 53.0 4.8 23.7 -39.2 43 42 A P S S+ 0 0 57 0, 0.0 2,-0.4 0, 0.0 -2,-0.3 -0.988 142.5 61.0 -93.6 -0.9 6.2 21.2 -38.4 44 43 A N - 0 0 38 -3,-0.2 -2,-1.1 1,-0.2 20,-0.2 -0.674 45.5-175.1 -90.3 136.9 6.5 22.2 -34.7 45 44 A N S S- 0 0 1 18,-3.2 95,-0.4 1,-0.4 2,-0.3 0.831 83.1 -2.2 -88.5 -40.1 3.5 22.8 -32.5 46 45 A T E -G 63 0B 0 17,-1.3 17,-3.2 98,-0.2 -1,-0.4 -0.992 62.7-165.6-150.7 145.1 5.8 23.9 -29.7 47 46 A T E -GH 62 138B 5 91,-1.7 91,-2.1 -2,-0.3 2,-0.5 -0.994 2.8-165.6-134.5 139.1 9.5 24.2 -29.1 48 47 A L E -GH 61 137B 0 13,-2.0 13,-3.2 -2,-0.4 2,-0.4 -0.999 21.2-170.4-122.2 126.3 11.3 24.7 -25.8 49 48 A N E -GH 60 136B 3 87,-2.2 87,-1.5 -2,-0.5 2,-0.6 -0.956 25.4-156.0-130.8 142.7 14.9 25.7 -26.2 50 49 A L E -GH 59 135B 1 9,-2.7 8,-1.9 -2,-0.4 9,-1.3 -0.963 26.9-159.5-109.9 116.9 18.0 26.2 -24.1 51 50 A F E -GH 57 134B 27 83,-3.1 82,-2.4 -2,-0.6 83,-1.5 -0.790 11.1-140.3-104.6 144.0 20.4 28.7 -25.7 52 51 A A > - 0 0 12 4,-2.1 3,-2.5 -2,-0.3 80,-0.1 -0.456 41.4 -97.4 -87.1 165.6 24.1 29.2 -25.2 53 52 A E T 3 S+ 0 0 172 78,-0.4 -1,-0.1 1,-0.3 79,-0.1 0.786 126.3 55.8 -57.0 -26.9 25.4 32.8 -25.1 54 53 A N T 3 S- 0 0 82 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.387 123.8-104.5 -86.7 4.2 26.4 32.4 -28.8 55 54 A G < + 0 0 32 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.0 0.452 68.6 153.0 89.9 -0.6 22.9 31.5 -29.7 56 55 A A - 0 0 1 1,-0.1 -4,-2.1 -5,-0.1 2,-1.3 -0.321 53.4-118.1 -63.1 144.7 23.6 27.8 -30.1 57 56 A Y E +GI 51 75B 51 18,-2.8 18,-1.4 1,-0.2 3,-0.2 -0.742 33.7 179.5 -84.5 93.8 20.6 25.5 -29.5 58 57 A L E S- 0 0 0 -8,-1.9 69,-0.4 -2,-1.3 70,-0.3 0.923 75.1 -7.9 -61.0 -42.1 22.1 23.5 -26.6 59 58 A L E -G 50 0B 0 -9,-1.3 -9,-2.7 -3,-0.2 2,-0.4 -0.934 63.0-169.3-158.7 130.6 18.8 21.6 -26.6 60 59 A Q E -GI 49 73B 17 13,-2.0 13,-1.3 -2,-0.3 2,-0.6 -0.985 7.5-160.7-122.0 134.0 15.5 22.0 -28.3 61 60 A I E -GI 48 72B 0 -13,-3.2 -13,-2.0 -2,-0.4 2,-0.5 -0.960 18.3-171.7-111.4 108.8 12.5 20.0 -27.3 62 61 A A E -GI 47 71B 0 9,-2.9 9,-2.7 -2,-0.6 2,-0.5 -0.918 9.6-154.6-110.2 123.6 10.1 20.1 -30.3 63 62 A F E -GI 46 70B 0 -17,-3.2 -18,-3.2 -2,-0.5 -17,-1.3 -0.832 12.0-178.6-100.1 124.1 6.6 18.8 -30.0 64 63 A R E > + I 0 69B 28 5,-2.6 5,-2.5 -2,-0.5 26,-0.2 -0.936 10.9 178.9-126.2 108.6 4.8 17.6 -33.2 65 64 A L T 5S+ 0 0 25 -2,-0.5 -1,-0.1 3,-0.2 25,-0.1 0.902 84.5 49.6 -72.4 -44.9 1.2 16.3 -32.9 66 65 A Q T 5S+ 0 0 135 1,-0.3 -1,-0.2 -23,-0.2 -22,-0.1 0.923 120.6 35.4 -61.3 -48.6 0.8 15.6 -36.6 67 66 A E T 5S- 0 0 91 -24,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.512 108.1-138.5 -81.3 -6.1 4.0 13.6 -36.8 68 67 A N T 5 + 0 0 76 1,-0.2 21,-1.9 20,-0.1 2,-0.3 0.932 59.3 109.2 46.5 64.3 3.2 12.5 -33.3 69 68 A V E < -IJ 64 88B 3 -5,-2.5 -5,-2.6 19,-0.2 2,-0.5 -0.992 63.7-132.1-161.8 156.7 6.7 12.8 -31.9 70 69 A I E -IJ 63 87B 0 17,-2.1 17,-1.6 -2,-0.3 2,-0.4 -0.977 28.0-155.6-116.9 117.2 8.9 14.8 -29.6 71 70 A I E -IJ 62 86B 1 -9,-2.7 -9,-2.9 -2,-0.5 2,-0.5 -0.805 9.1-168.2 -99.4 133.3 12.2 15.7 -31.2 72 71 A F E +IJ 61 85B 0 13,-2.7 13,-2.3 -2,-0.4 2,-0.3 -0.984 28.6 139.1-117.4 125.7 15.4 16.4 -29.2 73 72 A N E -I 60 0B 2 -13,-1.3 -13,-2.0 -2,-0.5 2,-0.3 -0.938 31.6-151.0-155.5 174.8 18.2 18.0 -31.1 74 73 A S E + 0 0 0 -2,-0.3 8,-2.8 -15,-0.2 2,-0.3 -0.921 14.9 168.6-145.9 167.4 21.0 20.7 -31.0 75 74 A R E -I 57 0B 50 -18,-1.4 -18,-2.8 -2,-0.3 6,-0.1 -0.904 36.4-100.1-178.2 152.8 22.9 22.9 -33.5 76 75 A Q > - 0 0 74 4,-0.4 3,-1.7 -2,-0.3 -21,-0.1 -0.411 43.9-106.6 -75.5 158.2 25.2 25.8 -33.7 77 76 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.815 123.1 24.0 -55.5 -31.2 23.7 29.3 -34.5 78 77 A D T 3 S+ 0 0 148 2,-0.1 -22,-0.0 0, 0.0 -2,-0.0 0.014 113.2 88.9-121.8 23.1 25.2 29.0 -38.0 79 78 A G S < S- 0 0 20 -3,-1.7 3,-0.1 1,-0.1 2,-0.1 -0.785 81.9 -90.3-119.6 164.4 25.5 25.2 -38.2 80 79 A P - 0 0 104 0, 0.0 -4,-0.4 0, 0.0 -2,-0.1 -0.354 49.9 -90.9 -73.7 153.4 23.1 22.4 -39.4 81 80 A W - 0 0 94 -6,-0.1 -6,-0.2 1,-0.1 3,-0.1 -0.403 51.5-139.1 -58.9 136.5 20.7 20.7 -37.0 82 81 A L - 0 0 68 -8,-2.8 2,-0.6 1,-0.2 -1,-0.1 0.246 44.6 -34.6 -83.8-153.7 22.5 17.7 -35.6 83 82 A V - 0 0 93 1,-0.1 -1,-0.2 -10,-0.0 2,-0.1 -0.572 63.8-136.3 -75.1 117.1 21.4 14.1 -35.0 84 83 A E - 0 0 74 -2,-0.6 2,-0.5 -3,-0.1 -11,-0.2 -0.382 10.5-157.3 -72.7 145.4 17.8 14.0 -33.9 85 84 A Q E -J 72 0B 87 -13,-2.3 -13,-2.7 -2,-0.1 2,-0.3 -0.998 20.3-157.7-120.4 125.3 16.7 11.8 -31.0 86 85 A R E -J 71 0B 131 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.831 21.3-167.3-114.0 149.2 12.9 11.0 -31.2 87 86 A V E -J 70 0B 21 -17,-1.6 -17,-2.1 -2,-0.3 6,-0.1 -0.962 24.5-143.2-128.9 109.5 10.2 9.9 -28.8 88 87 A S E +J 69 0B 93 -2,-0.4 -19,-0.2 -19,-0.2 -20,-0.1 -0.370 68.4 38.8 -74.8 154.5 7.0 8.7 -30.5 89 88 A D > - 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