==== 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 3AFK . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR L.FENG,D.LI,D.WANG . 335 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 73.4 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 . 145 43.3 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 . 56 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 5.4 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 . 1 0 0 2 6 10 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 0 168 0, 0.0 157,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 173.3 24.7 15.2 15.5 2 1 A Q + 0 0 44 155,-0.2 2,-0.3 156,-0.1 155,-0.2 -0.382 360.0 168.1 -65.7 137.4 21.4 13.5 14.8 3 2 A G E -A 156 0A 18 153,-1.6 153,-2.0 -2,-0.1 2,-0.4 -0.990 31.1-137.3-151.7 158.3 18.7 15.7 13.4 4 3 A V E -A 155 0A 3 282,-0.4 2,-0.4 -2,-0.3 151,-0.2 -0.963 18.8-175.4-119.2 131.6 15.3 15.8 11.7 5 4 A N E -A 154 0A 28 149,-1.7 149,-2.2 -2,-0.4 2,-0.4 -0.988 9.3-154.9-128.2 137.0 14.5 18.0 8.7 6 5 A I E -A 153 0A 15 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.933 11.8-179.2-116.2 136.3 11.1 18.3 7.1 7 6 A Y E -A 152 0A 23 145,-2.2 145,-2.7 -2,-0.4 2,-0.7 -0.993 18.6-152.1-134.2 140.7 10.4 19.3 3.6 8 7 A N E -A 151 0A 97 -2,-0.4 2,-0.7 143,-0.2 143,-0.2 -0.905 19.6-168.5-115.2 101.9 7.1 19.7 1.7 9 8 A I E -A 150 0A 2 141,-2.6 141,-2.5 -2,-0.7 2,-0.1 -0.818 8.8-149.7 -98.2 112.2 7.7 19.0 -2.0 10 9 A S E > -A 149 0A 62 -2,-0.7 3,-1.7 139,-0.2 127,-0.3 -0.456 42.1 -81.2 -74.7 151.3 4.9 19.9 -4.4 11 10 A A T 3 S+ 0 0 30 137,-2.3 127,-0.2 1,-0.3 -1,-0.1 -0.260 117.3 21.3 -54.4 132.4 4.7 17.8 -7.5 12 11 A G T 3 S+ 0 0 44 125,-2.3 -1,-0.3 1,-0.3 2,-0.3 0.568 106.2 99.3 85.5 9.5 7.2 18.9 -10.2 13 12 A T E < -F 137 0B 65 -3,-1.7 124,-1.9 124,-1.0 -1,-0.3 -0.775 53.9-149.1-124.5 171.0 9.6 20.7 -7.8 14 13 A S E -F 136 0B 80 -2,-0.3 2,-0.3 122,-0.2 122,-0.3 -0.875 7.0-152.4-133.5 164.8 12.8 20.0 -6.0 15 14 A V E -F 135 0B 40 120,-2.8 120,-2.4 -2,-0.3 2,-0.4 -0.999 15.6-126.6-144.1 143.4 14.4 21.1 -2.7 16 15 A D E -F 134 0B 124 -2,-0.3 2,-0.3 118,-0.2 118,-0.3 -0.722 33.1-120.0 -87.7 138.5 17.9 21.6 -1.4 17 16 A L E - 0 0 20 116,-2.8 -1,-0.0 -2,-0.4 -10,-0.0 -0.604 8.8-153.4 -81.3 135.1 18.7 19.7 1.9 18 17 A A E S+ 0 0 84 -2,-0.3 -1,-0.2 1,-0.3 116,-0.0 0.838 96.2 31.4 -72.1 -33.0 19.7 21.8 4.9 19 18 A A E S- 0 0 23 -3,-0.1 -1,-0.3 -16,-0.0 -14,-0.1 -0.990 96.6-124.2-126.1 120.1 21.6 18.7 6.1 20 19 A P E - 0 0 62 0, 0.0 2,-0.6 0, 0.0 113,-0.2 -0.254 18.1-122.8 -64.3 150.5 23.0 16.4 3.4 21 20 A V E +F 132 0B 2 111,-2.2 111,-2.8 135,-0.1 2,-0.2 -0.857 45.1 157.9 -96.4 119.9 22.0 12.7 3.3 22 21 A T > - 0 0 68 -2,-0.6 3,-2.4 109,-0.2 85,-0.3 -0.578 48.7 -35.4-126.9-169.4 25.1 10.5 3.5 23 22 A T T 3 S+ 0 0 67 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.273 129.0 19.5 -55.3 128.0 26.0 6.9 4.5 24 23 A G T 3 S+ 0 0 27 83,-3.8 -1,-0.3 1,-0.4 2,-0.1 0.300 101.1 118.8 94.3 -8.5 23.9 5.8 7.4 25 24 A D < - 0 0 4 -3,-2.4 82,-2.4 82,-0.3 -1,-0.4 -0.446 49.1-147.2 -90.5 165.2 21.2 8.4 6.8 26 25 A I E -BC 106 155A 3 129,-2.2 129,-3.2 80,-0.2 2,-0.4 -0.982 11.1-171.6-135.5 142.5 17.6 7.9 6.0 27 26 A V E -BC 105 154A 1 78,-2.1 78,-3.2 -2,-0.4 2,-0.4 -0.999 6.6-170.0-132.4 133.4 15.0 9.8 4.0 28 27 A T E -BC 104 153A 0 125,-2.4 125,-2.8 -2,-0.4 2,-0.5 -0.994 10.0-152.3-127.3 128.2 11.3 8.9 3.9 29 28 A F E -BC 103 152A 2 74,-3.1 74,-2.4 -2,-0.4 2,-0.5 -0.867 13.7-155.7 -98.7 128.0 8.7 10.4 1.5 30 29 A F E -BC 102 151A 30 121,-3.4 121,-2.2 -2,-0.5 2,-0.4 -0.914 7.7-169.0-109.9 128.0 5.2 10.6 2.8 31 30 A S E -BC 101 150A 8 70,-2.8 70,-2.2 -2,-0.5 119,-0.1 -0.952 16.7-157.2-116.5 131.9 2.1 10.7 0.5 32 31 A S S S+ 0 0 95 117,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.314 81.3 43.6 -87.3 8.1 -1.4 11.4 1.8 33 32 A A - 0 0 21 68,-0.1 114,-0.4 114,-0.1 2,-0.3 -0.974 59.9-157.5-148.3 159.1 -2.9 9.6 -1.2 34 33 A L - 0 0 26 -2,-0.3 2,-0.9 112,-0.2 65,-0.3 -0.838 14.6-176.8-142.3 98.3 -2.4 6.5 -3.2 35 34 A N > + 0 0 66 110,-2.5 3,-1.1 -2,-0.3 111,-0.1 -0.744 14.8 163.7-103.2 86.4 -3.8 6.7 -6.7 36 35 A L T 3 S+ 0 0 72 -2,-0.9 3,-0.2 1,-0.3 -1,-0.1 0.473 80.1 53.9 -80.2 -1.1 -3.4 3.4 -8.4 37 36 A N T 3 + 0 0 156 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.034 67.8 122.8-118.0 24.7 -5.9 4.4 -11.0 38 37 A A < - 0 0 20 -3,-1.1 2,-0.4 1,-0.2 -1,-0.1 0.654 68.1-136.2 -60.7 -17.3 -4.1 7.7 -11.9 39 38 A G + 0 0 24 -3,-0.2 2,-0.4 -4,-0.1 27,-0.2 -0.785 50.1 0.8 103.4-140.2 -4.0 6.5 -15.5 40 39 A A - 0 0 54 -2,-0.4 2,-0.1 25,-0.1 4,-0.1 -0.797 52.7-153.9-102.6 132.1 -1.1 6.7 -17.9 41 40 A G - 0 0 16 -2,-0.4 4,-0.3 2,-0.4 3,-0.2 -0.417 31.6-111.6 -87.0 171.0 2.4 8.0 -17.2 42 41 A N S S- 0 0 143 2,-1.4 3,-0.0 -2,-0.1 22,-0.0 -0.369 94.5 -55.8-129.5 59.1 4.5 9.4 -20.0 43 42 A P S S+ 0 0 56 0, 0.0 -2,-0.4 0, 0.0 2,-0.3 -0.991 143.9 58.6 -93.0 -6.4 6.0 7.0 -19.2 44 43 A N - 0 0 37 -3,-0.2 -2,-1.4 1,-0.2 20,-0.2 -0.648 47.5-174.3 -87.2 137.9 6.5 7.9 -15.6 45 44 A N S S- 0 0 2 18,-2.9 95,-0.5 1,-0.4 2,-0.3 0.821 80.3 -2.3 -90.4 -41.4 3.5 8.5 -13.3 46 45 A T E -G 63 0B 0 17,-1.2 17,-3.1 98,-0.2 -1,-0.4 -0.990 62.6-166.1-150.8 145.8 5.7 9.6 -10.4 47 46 A T E -GH 62 138B 7 91,-1.6 91,-2.0 -2,-0.3 2,-0.4 -0.992 3.4-164.5-136.2 141.9 9.5 9.9 -9.8 48 47 A L E -GH 61 137B 1 13,-2.1 13,-2.8 -2,-0.4 2,-0.4 -0.995 20.4-168.7-123.8 132.1 11.3 10.4 -6.5 49 48 A N E -GH 60 136B 3 87,-2.3 87,-1.6 -2,-0.4 2,-0.6 -0.972 25.8-158.5-134.8 143.3 14.9 11.5 -6.8 50 49 A L E -GH 59 135B 3 9,-2.3 8,-1.7 -2,-0.4 9,-1.5 -0.978 28.5-159.4-112.7 116.5 18.1 11.8 -4.7 51 50 A F E -GH 57 134B 29 83,-2.8 82,-2.5 -2,-0.6 83,-1.3 -0.779 10.8-137.5-104.9 145.1 20.5 14.3 -6.4 52 51 A A > - 0 0 11 4,-2.3 3,-2.1 -2,-0.3 80,-0.1 -0.408 40.9 -96.0 -85.6 169.3 24.2 14.8 -5.9 53 52 A E T 3 S+ 0 0 151 78,-0.4 -1,-0.1 1,-0.3 79,-0.1 0.825 126.0 53.8 -57.4 -33.0 25.6 18.3 -5.7 54 53 A N T 3 S- 0 0 95 1,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.321 125.1-100.5 -86.3 9.7 26.4 18.2 -9.5 55 54 A G S < S+ 0 0 34 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.499 70.5 153.5 87.4 2.6 22.9 17.3 -10.4 56 55 A A - 0 0 1 1,-0.1 -4,-2.3 20,-0.0 2,-1.4 -0.394 52.2-119.9 -67.3 142.3 23.6 13.6 -10.8 57 56 A Y E +GI 51 75B 55 18,-2.6 18,-1.5 -6,-0.2 3,-0.2 -0.710 35.1 175.9 -82.4 92.4 20.6 11.3 -10.3 58 57 A L E S+ 0 0 0 -8,-1.7 69,-0.4 -2,-1.4 2,-0.4 0.909 77.7 7.4 -64.0 -42.2 22.2 9.2 -7.4 59 58 A L E -G 50 0B 0 -9,-1.5 -9,-2.3 -3,-0.2 2,-0.5 -0.960 68.0-171.9-145.7 124.9 18.8 7.4 -7.2 60 59 A H E -GI 49 73B 13 13,-2.4 13,-1.7 -2,-0.4 2,-0.6 -0.979 4.7-170.3-117.4 118.5 15.9 7.7 -9.5 61 60 A I E -GI 48 72B 1 -13,-2.8 -13,-2.1 -2,-0.5 2,-0.5 -0.946 8.6-176.0-113.2 113.4 12.7 5.9 -8.5 62 61 A A E -GI 47 71B 0 9,-2.6 9,-3.1 -2,-0.6 2,-0.5 -0.939 12.2-156.6-116.9 126.4 10.1 5.8 -11.2 63 62 A F E -GI 46 70B 1 -17,-3.1 -18,-2.9 -2,-0.5 -17,-1.2 -0.862 11.4-176.7-101.2 125.6 6.6 4.4 -10.8 64 63 A R E > - I 0 69B 29 5,-2.4 5,-2.3 -2,-0.5 26,-0.2 -0.954 11.4-176.8-127.4 112.6 4.7 3.3 -13.9 65 64 A L T 5S+ 0 0 21 -2,-0.5 3,-0.2 3,-0.2 -1,-0.1 0.897 85.7 45.8 -72.6 -45.0 1.1 2.1 -13.7 66 65 A Q T 5S+ 0 0 135 1,-0.2 -1,-0.2 -27,-0.2 -26,-0.1 0.874 120.1 40.4 -68.9 -37.9 0.6 1.1 -17.4 67 66 A E T 5S- 0 0 92 -24,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.491 105.7-139.2 -86.4 -3.1 3.9 -0.7 -17.5 68 67 A N T 5 + 0 0 77 1,-0.2 21,-1.9 -3,-0.2 2,-0.3 0.911 59.0 111.4 44.4 60.3 3.2 -2.0 -14.0 69 68 A V E < -IJ 64 88B 3 -5,-2.3 -5,-2.4 19,-0.2 2,-0.5 -0.996 61.4-138.9-158.4 152.5 6.7 -1.6 -12.7 70 69 A I E -IJ 63 87B 0 17,-2.3 17,-2.1 -2,-0.3 2,-0.4 -0.979 30.0-155.3-113.8 122.2 8.8 0.5 -10.3 71 70 A I E -IJ 62 86B 1 -9,-3.1 -9,-2.6 -2,-0.5 2,-0.4 -0.824 10.3-165.0-105.7 141.2 12.2 1.4 -11.9 72 71 A F E +IJ 61 85B 0 13,-2.5 13,-2.3 -2,-0.4 2,-0.3 -0.987 27.8 138.2-122.2 129.2 15.4 2.2 -10.1 73 72 A N E -I 60 0B 2 -13,-1.7 -13,-2.4 -2,-0.4 2,-0.3 -0.926 30.9-148.9-156.7 179.8 18.3 3.8 -11.9 74 73 A S E + 0 0 0 -2,-0.3 8,-2.3 -15,-0.2 2,-0.3 -0.940 14.6 169.9-150.8 165.5 21.1 6.5 -11.8 75 74 A R E -I 57 0B 48 -18,-1.5 -18,-2.6 -2,-0.3 6,-0.1 -0.888 34.2-105.5-178.4 149.8 22.9 8.8 -14.3 76 75 A Q > - 0 0 85 4,-0.4 3,-1.4 -2,-0.3 -21,-0.1 -0.362 44.3-104.2 -75.8 160.8 25.3 11.7 -14.4 77 76 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.861 122.7 26.3 -56.3 -36.6 23.9 15.1 -15.3 78 77 A D T 3 S+ 0 0 164 2,-0.1 -22,-0.0 0, 0.0 -2,-0.0 0.114 111.8 94.2-111.7 18.8 25.3 14.9 -18.9 79 78 A G S < S- 0 0 23 -3,-1.4 2,-0.1 1,-0.1 3,-0.1 -0.618 77.8 -97.4-110.5 169.9 25.3 11.1 -19.1 80 79 A P - 0 0 103 0, 0.0 -4,-0.4 0, 0.0 -1,-0.1 -0.429 50.4 -88.5 -80.4 158.8 23.0 8.4 -20.3 81 80 A W - 0 0 101 -6,-0.1 -6,-0.2 -2,-0.1 3,-0.1 -0.416 50.4-143.8 -62.9 140.9 20.6 6.5 -18.1 82 81 A L - 0 0 69 -8,-2.3 2,-0.6 1,-0.2 -1,-0.1 0.211 44.6 -33.0 -89.5-148.4 22.5 3.5 -16.7 83 82 A V - 0 0 93 1,-0.0 -1,-0.2 -10,-0.0 2,-0.1 -0.631 61.6-139.0 -81.1 115.4 21.3 -0.0 -15.8 84 83 A E - 0 0 72 -2,-0.6 2,-0.5 -3,-0.1 -11,-0.2 -0.387 7.6-155.5 -70.5 144.5 17.7 -0.2 -14.7 85 84 A Q E -J 72 0B 91 -13,-2.3 -13,-2.5 -2,-0.1 2,-0.4 -0.991 21.4-157.4-118.2 126.9 16.7 -2.4 -11.8 86 85 A R E -J 71 0B 129 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.869 21.8-168.9-117.3 146.1 13.0 -3.3 -12.0 87 86 A V E -J 70 0B 24 -17,-2.1 -17,-2.3 -2,-0.4 6,-0.1 -0.965 23.8-143.9-128.4 111.9 10.3 -4.5 -9.6 88 87 A S E +J 69 0B 88 -2,-0.5 -19,-0.2 -19,-0.2 -20,-0.1 -0.355 66.9 41.5 -76.2 157.2 7.1 -5.6 -11.2 89 88 A D > - 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