==== 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 2ZGK . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR N.YANG,D.F.LI,D.C.WANG . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 67.1 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 . 67 42.4 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 . 1 0.6 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 . 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 . 23 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 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 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 . 2 1 3 0 0 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 0 200 0, 0.0 2,-0.3 0, 0.0 155,-0.2 0.000 360.0 360.0 360.0 -44.7 -41.8 5.5 -7.0 2 2 A G E -A 155 0A 25 153,-2.4 153,-0.5 2,-0.0 2,-0.4 -0.797 360.0-164.2-115.9 155.6 -45.0 4.1 -8.7 3 3 A V E -A 154 0A 90 -2,-0.3 2,-0.4 151,-0.2 151,-0.2 -0.984 11.7-177.3-135.6 122.4 -48.5 3.2 -7.6 4 4 A N E -A 153 0A 47 149,-1.9 149,-2.3 -2,-0.4 2,-0.4 -0.921 9.2-155.9-120.5 145.9 -50.8 1.0 -9.7 5 5 A I E -A 152 0A 105 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.957 10.8-175.4-123.3 140.8 -54.3 0.0 -9.1 6 6 A Y E -A 151 0A 25 145,-2.6 145,-2.5 -2,-0.4 2,-0.8 -0.998 21.9-148.1-139.0 139.0 -56.2 -3.0 -10.4 7 7 A N E -A 150 0A 113 -2,-0.4 2,-0.7 143,-0.2 143,-0.2 -0.911 22.5-171.3-104.8 105.3 -59.7 -4.3 -10.2 8 8 A I E -A 149 0A 0 141,-2.1 141,-2.7 -2,-0.8 2,-0.2 -0.889 7.7-154.6-102.3 112.0 -59.4 -8.1 -10.2 9 9 A S E > -A 148 0A 57 -2,-0.7 3,-2.9 139,-0.2 127,-0.3 -0.551 39.5 -81.1 -84.5 147.8 -62.8 -9.8 -10.5 10 10 A A T 3 S+ 0 0 44 137,-2.4 127,-0.3 1,-0.3 -1,-0.1 -0.274 121.2 21.2 -50.4 111.0 -63.3 -13.3 -9.1 11 11 A G T 3 S+ 0 0 49 125,-3.3 -1,-0.3 1,-0.4 126,-0.2 0.176 103.0 108.5 115.3 -16.2 -61.8 -15.6 -11.8 12 12 A T < - 0 0 53 -3,-2.9 124,-1.9 124,-0.5 -1,-0.4 -0.188 50.5-153.7 -88.1-179.8 -59.6 -13.1 -13.6 13 13 A S - 0 0 70 122,-0.2 2,-0.4 -3,-0.1 122,-0.2 -0.886 12.6-157.2-155.2 114.4 -55.9 -12.5 -13.9 14 14 A V - 0 0 29 120,-0.3 120,-1.7 -2,-0.3 2,-0.3 -0.805 15.9-130.9 -99.7 139.8 -54.6 -9.0 -14.7 15 15 A D E -G 133 0B 130 -2,-0.4 118,-0.2 118,-0.2 2,-0.2 -0.681 34.2-112.4 -83.4 142.7 -51.2 -8.5 -16.2 16 16 A L E - 0 0 23 116,-2.9 -1,-0.1 -2,-0.3 -10,-0.0 -0.552 7.8-146.9 -81.4 142.9 -49.2 -5.9 -14.3 17 17 A A E S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 115,-0.0 0.707 99.0 20.0 -74.2 -20.7 -48.4 -2.5 -15.9 18 18 A A E S- 0 0 23 114,-0.0 -1,-0.3 -16,-0.0 2,-0.1 -0.971 93.4-116.6-148.7 132.9 -45.3 -2.8 -13.8 19 19 A P E - 0 0 57 0, 0.0 2,-1.1 0, 0.0 137,-0.3 -0.435 18.5-125.6 -75.6 144.7 -43.8 -6.0 -12.3 20 20 A V E +G 131 0B 2 111,-1.7 111,-1.6 -2,-0.1 3,-0.1 -0.757 46.0 160.7 -90.7 93.9 -43.5 -6.7 -8.6 21 21 A T > - 0 0 58 -2,-1.1 3,-1.7 1,-0.3 85,-0.2 -0.135 49.6 -36.1 -98.4-161.1 -39.8 -7.5 -8.1 22 22 A T T 3 S+ 0 0 70 1,-0.2 136,-0.4 85,-0.1 -1,-0.3 -0.251 129.1 20.3 -60.1 144.7 -37.7 -7.4 -5.0 23 23 A G T 3 S+ 0 0 34 83,-3.0 -1,-0.2 1,-0.3 84,-0.1 0.238 101.8 118.6 82.2 -14.4 -38.4 -4.7 -2.5 24 24 A D < - 0 0 6 -3,-1.7 82,-1.9 82,-0.2 2,-0.3 -0.365 50.4-145.3 -86.7 164.0 -41.9 -4.2 -4.0 25 25 A I E -BC 105 154A 35 129,-1.9 129,-2.1 80,-0.2 2,-0.3 -0.898 12.7-175.9-128.6 154.9 -45.3 -4.5 -2.4 26 26 A V E -BC 104 153A 1 78,-0.8 78,-2.4 -2,-0.3 2,-0.4 -0.914 8.1-167.5-153.1 122.0 -48.8 -5.7 -3.5 27 27 A T E -BC 103 152A 9 125,-2.4 125,-1.8 -2,-0.3 2,-0.5 -0.929 9.7-150.4-118.4 136.9 -51.9 -5.6 -1.4 28 28 A F E -BC 102 151A 2 74,-2.9 74,-2.1 -2,-0.4 2,-0.5 -0.885 12.5-157.4-104.6 129.7 -55.2 -7.3 -2.1 29 29 A F E -BC 101 150A 66 121,-2.8 121,-1.3 -2,-0.5 2,-0.5 -0.919 6.9-170.7-110.6 127.2 -58.4 -5.6 -0.7 30 30 A S E -BC 100 149A 5 70,-3.1 70,-2.0 -2,-0.5 119,-0.1 -0.972 14.2-160.4-117.4 125.5 -61.6 -7.5 -0.1 31 31 A S S S+ 0 0 96 117,-0.6 2,-0.3 -2,-0.5 -1,-0.1 0.250 81.5 43.9 -86.4 12.2 -64.7 -5.5 0.7 32 32 A A - 0 0 24 68,-0.1 114,-0.6 114,-0.1 2,-0.2 -0.978 60.1-163.8-150.5 155.1 -66.2 -8.6 2.2 33 33 A L B -L 145 0C 20 -2,-0.3 2,-1.0 112,-0.2 65,-0.3 -0.714 11.2-179.7-145.5 87.1 -65.1 -11.4 4.4 34 34 A N + 0 0 73 110,-1.2 3,-0.2 -2,-0.2 111,-0.1 -0.768 14.7 159.9 -94.9 96.7 -67.3 -14.5 4.3 35 35 A L S S+ 0 0 45 -2,-1.0 -1,-0.2 1,-0.2 55,-0.1 0.313 73.1 65.0 -96.2 6.3 -65.8 -17.0 6.7 36 36 A N S S+ 0 0 162 -3,-0.1 -1,-0.2 108,-0.0 -2,-0.1 0.577 75.6 136.3 -98.0 -16.0 -69.2 -18.8 6.9 37 37 A A - 0 0 20 -3,-0.2 3,-0.2 106,-0.1 105,-0.1 0.167 57.7-104.0 -33.1 144.3 -68.9 -19.7 3.2 38 38 A G - 0 0 42 1,-0.2 2,-0.4 103,-0.1 26,-0.2 0.396 60.8 -42.9 -58.6-162.2 -69.9 -23.2 2.3 39 39 A A - 0 0 77 25,-0.1 2,-0.4 26,-0.1 -1,-0.2 -0.564 58.1-154.1 -72.8 121.5 -67.7 -26.1 1.4 40 40 A G - 0 0 4 -2,-0.4 4,-0.2 2,-0.2 100,-0.2 -0.778 13.7-126.8 -96.8 143.6 -64.9 -25.1 -0.9 41 41 A N S S- 0 0 93 98,-0.6 2,-0.2 -2,-0.4 22,-0.0 -0.773 78.8 -46.3-134.5 94.8 -63.3 -27.6 -3.2 42 42 A P S S+ 0 0 58 0, 0.0 2,-1.0 0, 0.0 23,-0.3 -0.796 134.9 26.2-104.6 -39.5 -60.6 -27.3 -2.5 43 43 A N - 0 0 15 1,-0.2 96,-0.8 -2,-0.2 20,-0.2 -0.697 56.0-163.4 -84.1 101.7 -59.3 -23.7 -2.3 44 44 A N S S+ 0 0 0 18,-1.4 96,-0.4 -2,-1.0 98,-0.4 0.827 82.3 2.8 -51.4 -32.3 -62.3 -21.5 -1.5 45 45 A T E -H 62 0B 0 17,-1.1 17,-2.3 93,-0.2 2,-0.3 -0.960 68.7-173.2-158.2 136.6 -60.1 -18.6 -2.6 46 46 A T E -H 61 0B 2 91,-1.5 2,-0.4 -2,-0.3 91,-0.4 -0.943 7.9-163.0-131.3 152.2 -56.6 -18.4 -4.0 47 47 A L E -H 60 0B 0 13,-1.1 13,-1.7 -2,-0.3 2,-0.3 -0.963 20.8-168.4-135.7 117.0 -54.5 -15.3 -4.8 48 48 A N E -HI 59 135B 1 87,-1.8 87,-1.3 -2,-0.4 2,-0.5 -0.819 22.6-155.5-117.0 151.1 -51.6 -16.0 -7.1 49 49 A L E -HI 58 134B 1 9,-1.9 8,-1.8 -2,-0.3 9,-1.3 -0.974 28.3-168.0-119.3 113.6 -48.4 -14.1 -8.2 50 50 A F E -HI 56 133B 22 83,-2.6 82,-2.0 -2,-0.5 83,-1.2 -0.506 18.6-129.8-101.7 169.6 -47.3 -15.4 -11.6 51 51 A A > - 0 0 9 4,-1.4 3,-1.6 80,-0.2 80,-0.1 -0.622 44.6 -95.3-105.1 167.9 -44.2 -15.0 -13.8 52 52 A E T 3 S+ 0 0 176 78,-0.4 79,-0.1 1,-0.3 -2,-0.0 0.801 125.7 58.1 -55.9 -25.1 -44.5 -14.0 -17.4 53 53 A N T 3 S- 0 0 104 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 -0.013 122.8 -98.8 -96.4 27.9 -44.4 -17.8 -18.1 54 54 A G S < S+ 0 0 34 -3,-1.6 2,-0.3 1,-0.2 -2,-0.1 0.568 74.3 150.1 69.1 6.6 -47.4 -18.9 -16.1 55 55 A A - 0 0 2 1,-0.1 -4,-1.4 20,-0.1 2,-1.2 -0.597 49.0-129.4 -75.4 128.6 -45.0 -20.0 -13.3 56 56 A Y E +HJ 50 74B 51 18,-2.4 18,-1.2 -2,-0.3 -6,-0.2 -0.657 27.4 178.6 -80.4 94.4 -46.7 -19.7 -9.9 57 57 A L E S+ 0 0 2 -8,-1.8 2,-0.3 -2,-1.2 69,-0.3 0.836 75.9 4.0 -65.2 -27.8 -44.3 -17.7 -7.8 58 58 A L E -H 49 0B 0 -9,-1.3 -9,-1.9 -3,-0.1 2,-0.5 -0.958 59.6-164.5-159.7 139.0 -46.9 -17.9 -5.0 59 59 A H E -HJ 48 72B 11 13,-1.0 13,-1.2 -2,-0.3 2,-0.7 -0.979 7.1-170.1-127.3 118.1 -50.2 -19.5 -4.4 60 60 A I E -HJ 47 71B 1 -13,-1.7 -13,-1.1 -2,-0.5 2,-0.3 -0.888 12.7-177.9-112.7 104.2 -52.3 -18.4 -1.4 61 61 A A E -HJ 46 70B 0 9,-2.1 9,-1.2 -2,-0.7 2,-0.5 -0.733 17.1-156.4-104.6 150.7 -55.3 -20.6 -0.8 62 62 A F E -HJ 45 69B 0 -17,-2.3 -18,-1.4 -2,-0.3 -17,-1.1 -0.986 12.1-178.3-123.9 119.0 -58.0 -20.3 1.8 63 63 A R E > + J 0 68B 29 5,-2.2 5,-2.4 -2,-0.5 26,-0.2 -0.949 11.0 178.4-122.1 110.5 -59.8 -23.5 2.7 64 64 A L T 5S+ 0 0 31 -2,-0.5 3,-0.5 3,-0.2 -1,-0.1 0.804 84.9 56.9 -79.0 -30.0 -62.6 -23.1 5.2 65 65 A Q T 5S+ 0 0 85 -23,-0.3 -1,-0.2 1,-0.2 -26,-0.1 0.831 118.4 34.3 -68.5 -31.7 -63.5 -26.8 5.2 66 66 A E T 5S- 0 0 67 -24,-0.2 -1,-0.2 2,-0.2 22,-0.2 0.268 103.1-136.3-102.9 6.1 -59.9 -27.5 6.2 67 67 A N T 5 + 0 0 69 -3,-0.5 21,-2.3 1,-0.1 2,-0.3 0.869 65.8 113.4 36.5 53.2 -59.7 -24.3 8.3 68 68 A V E < -JK 63 87B 3 -5,-2.4 -5,-2.2 19,-0.2 2,-0.6 -0.999 65.1-135.5-153.4 148.4 -56.3 -23.6 6.9 69 69 A I E -JK 62 86B 0 17,-2.6 17,-2.1 -2,-0.3 2,-0.3 -0.937 29.5-153.6-105.2 120.3 -54.4 -21.2 4.6 70 70 A I E -JK 61 85B 0 -9,-1.2 -9,-2.1 -2,-0.6 2,-0.4 -0.680 9.6-167.3 -95.9 146.8 -52.2 -23.0 2.1 71 71 A F E +J 60 0B 0 13,-1.3 2,-0.2 -2,-0.3 -11,-0.2 -1.000 25.3 130.8-134.2 132.7 -49.0 -21.6 0.5 72 72 A N E -J 59 0B 5 -13,-1.2 -13,-1.0 -2,-0.4 2,-0.3 -0.756 34.1-136.4-155.1-159.3 -47.1 -23.1 -2.5 73 73 A S E - 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