==== 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 3M3E . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR L.FENG,D.LI,D.WANG . 639 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 73.7 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 . 286 44.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 98 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 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 . 0 0 0 4 10 22 0 4 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 8 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 0 152 0, 0.0 157,-0.1 0, 0.0 155,-0.1 0.000 360.0 360.0 360.0 140.3 5.0 -3.6 23.1 2 1 A Q - 0 0 45 155,-0.1 2,-0.3 156,-0.1 155,-0.2 -0.262 360.0-167.3 -57.9 144.9 7.3 -5.4 20.7 3 2 A G E -A 156 0A 13 153,-2.2 153,-2.0 2,-0.0 2,-0.4 -0.968 22.1-149.3-142.1 157.8 7.6 -3.7 17.3 4 3 A V E -A 155 0A 4 274,-0.4 2,-0.4 -2,-0.3 151,-0.2 -0.981 15.6-174.1-124.2 131.3 8.8 -4.1 13.7 5 4 A N E -A 154 0A 27 149,-1.7 149,-2.2 -2,-0.4 2,-0.4 -0.988 7.8-155.4-129.4 139.1 10.0 -1.2 11.5 6 5 A I E +A 153 0A 18 -2,-0.4 2,-0.3 147,-0.2 147,-0.2 -0.941 13.0 175.8-118.5 134.5 10.9 -1.4 7.9 7 6 A Y E -A 152 0A 27 145,-2.5 145,-3.2 -2,-0.4 2,-0.6 -0.984 20.2-148.2-135.7 145.2 13.3 0.9 6.0 8 7 A N E -A 151 0A 70 -2,-0.3 2,-0.5 143,-0.2 143,-0.2 -0.949 18.8-161.7-117.0 110.3 14.5 0.8 2.4 9 8 A I E -A 150 0A 0 141,-3.0 141,-2.7 -2,-0.6 2,-0.3 -0.824 7.9-146.9 -99.8 122.4 18.0 2.3 2.0 10 9 A S E > -A 149 0A 62 -2,-0.5 3,-2.1 139,-0.2 127,-0.3 -0.666 44.7 -85.4 -83.6 139.2 19.4 3.4 -1.3 11 10 A A T 3 S+ 0 0 30 137,-2.6 127,-0.2 -2,-0.3 -1,-0.1 -0.163 118.2 20.4 -44.6 123.0 23.1 2.9 -1.7 12 11 A G T 3 S+ 0 0 43 125,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.489 107.1 99.9 93.7 4.7 24.8 6.0 -0.2 13 12 A T E < -F 137 0B 61 -3,-2.1 124,-1.8 124,-0.9 -1,-0.3 -0.690 55.3-141.7-120.9 173.3 21.9 7.2 2.0 14 13 A S E -F 136 0B 73 122,-0.2 2,-0.4 -2,-0.2 122,-0.3 -0.904 6.6-150.2-131.4 159.1 20.7 7.1 5.6 15 14 A V E -F 135 0B 26 120,-3.1 120,-2.7 -2,-0.3 2,-0.4 -0.981 15.3-129.8-131.8 143.7 17.4 6.7 7.3 16 15 A D E -F 134 0B 132 -2,-0.4 2,-0.3 118,-0.2 118,-0.3 -0.731 29.6-122.4 -89.7 139.1 16.1 8.0 10.7 17 16 A L E - 0 0 21 116,-3.0 -10,-0.0 -2,-0.4 -1,-0.0 -0.654 10.7-156.9 -86.1 138.9 14.6 5.4 12.9 18 17 A A E S+ 0 0 86 -2,-0.3 -1,-0.1 1,-0.3 116,-0.0 0.674 95.2 32.8 -81.8 -19.7 11.0 5.9 14.1 19 18 A A E S- 0 0 22 113,-0.0 -1,-0.3 114,-0.0 -14,-0.1 -0.959 93.8-128.3-137.9 114.4 11.9 3.6 17.0 20 19 A P E - 0 0 61 0, 0.0 2,-0.6 0, 0.0 113,-0.2 -0.198 18.4-121.8 -62.8 154.8 15.5 3.7 18.3 21 20 A V E +F 132 0B 2 111,-2.3 111,-2.6 135,-0.1 2,-0.2 -0.881 44.1 160.7 -99.5 122.4 17.5 0.5 18.7 22 21 A T > - 0 0 53 -2,-0.6 3,-2.5 109,-0.2 85,-0.3 -0.571 46.0 -34.2-127.2-168.0 18.6 -0.1 22.2 23 22 A T T 3 S+ 0 0 73 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.271 128.8 17.3 -52.8 128.0 19.9 -2.9 24.5 24 23 A G T 3 S+ 0 0 32 83,-3.3 -1,-0.3 1,-0.3 84,-0.1 0.340 101.9 121.6 89.4 -6.4 18.2 -6.2 23.7 25 24 A D < - 0 0 4 -3,-2.5 82,-2.2 82,-0.3 2,-0.3 -0.412 50.3-139.0 -89.5 168.4 17.0 -5.0 20.3 26 25 A I E -BC 106 155A 2 129,-2.4 129,-2.9 80,-0.2 2,-0.4 -0.957 14.7-176.3-130.8 144.5 17.7 -6.4 16.8 27 26 A V E -BC 105 154A 0 78,-1.6 78,-3.3 -2,-0.3 2,-0.4 -0.994 5.1-174.7-139.3 131.8 18.6 -5.0 13.4 28 27 A T E -BC 104 153A 0 125,-2.3 125,-2.4 -2,-0.4 2,-0.5 -0.990 12.6-151.8-128.7 132.8 19.0 -6.9 10.2 29 28 A F E -BC 103 152A 3 74,-3.3 74,-2.0 -2,-0.4 2,-0.5 -0.875 15.4-155.6-101.1 134.9 20.1 -5.5 6.8 30 29 A F E -BC 102 151A 17 121,-3.4 121,-2.2 -2,-0.5 2,-0.4 -0.947 8.3-169.1-117.7 125.7 18.8 -7.4 3.8 31 30 A S E -BC 101 150A 7 70,-2.6 70,-1.7 -2,-0.5 119,-0.1 -0.902 15.6-156.4-110.0 136.9 20.4 -7.5 0.3 32 31 A S S S+ 0 0 94 117,-0.6 2,-0.3 -2,-0.4 68,-0.1 0.149 80.6 42.3 -95.6 18.8 18.6 -9.0 -2.7 33 32 A A - 0 0 21 68,-0.1 114,-0.5 114,-0.1 2,-0.4 -0.972 62.2-152.2-155.7 159.6 22.0 -9.6 -4.4 34 33 A L + 0 0 29 -2,-0.3 2,-0.6 112,-0.2 65,-0.3 -0.899 14.6 178.3-139.7 105.5 25.5 -10.9 -3.6 35 34 A N > + 0 0 69 110,-2.5 3,-1.4 -2,-0.4 111,-0.1 -0.639 13.6 159.5-112.5 74.8 28.3 -9.5 -5.8 36 35 A L T 3 S+ 0 0 52 -2,-0.6 -1,-0.1 1,-0.2 55,-0.1 0.400 74.0 58.9 -75.6 5.3 31.5 -11.0 -4.5 37 36 A N T 3 S+ 0 0 165 -3,-0.1 -1,-0.2 108,-0.1 3,-0.1 0.334 74.6 128.5-113.2 4.3 33.2 -10.3 -7.8 38 37 A A < - 0 0 22 -3,-1.4 105,-0.2 1,-0.1 3,-0.1 -0.093 68.6 -90.4 -55.0 160.0 32.7 -6.5 -7.8 39 38 A G - 0 0 44 103,-0.5 26,-0.2 1,-0.2 27,-0.1 0.051 60.6 -65.5 -63.1-177.4 35.7 -4.4 -8.4 40 39 A A - 0 0 60 25,-0.1 -1,-0.2 1,-0.1 4,-0.1 -0.319 51.0-119.5 -70.8 154.4 38.0 -3.2 -5.6 41 40 A G - 0 0 15 2,-0.5 4,-0.2 -3,-0.1 3,-0.2 -0.323 22.7-112.2 -85.3 175.5 36.7 -0.7 -3.0 42 41 A N S S- 0 0 143 2,-1.1 3,-0.0 -2,-0.1 22,-0.0 -0.256 98.5 -56.5-127.3 50.9 38.2 2.7 -2.4 43 42 A P S S+ 0 0 59 0, 0.0 -2,-0.5 0, 0.0 2,-0.3 -1.000 142.4 58.5 -92.1 -9.1 38.8 1.1 0.1 44 43 A N - 0 0 40 -3,-0.2 -2,-1.1 1,-0.2 20,-0.2 -0.650 44.2-177.3 -87.8 135.8 35.2 0.1 1.0 45 44 A N S S- 0 0 1 18,-2.8 95,-0.5 1,-0.4 2,-0.3 0.798 80.8 -3.7 -90.4 -39.1 32.9 -1.8 -1.3 46 45 A T E -G 63 0B 0 17,-1.2 17,-3.5 98,-0.2 -1,-0.4 -0.988 62.9-173.0-154.9 143.1 30.0 -1.6 1.1 47 46 A T E -GH 62 138B 6 91,-1.3 91,-2.2 -2,-0.3 2,-0.4 -0.980 6.7-163.5-139.3 150.9 29.4 -0.2 4.6 48 47 A L E -GH 61 137B 0 13,-1.6 13,-2.6 -2,-0.3 2,-0.3 -0.993 19.1-165.3-132.1 135.5 26.5 -0.5 7.0 49 48 A N E -GH 60 136B 3 87,-2.3 87,-1.3 -2,-0.4 2,-0.5 -0.939 23.1-152.7-133.0 151.3 26.3 1.9 10.0 50 49 A L E -GH 59 135B 0 9,-2.0 8,-2.2 -2,-0.3 9,-1.4 -0.980 28.6-161.8-117.9 111.9 24.5 2.4 13.3 51 50 A F E -GH 57 134B 26 83,-2.9 82,-2.6 -2,-0.5 83,-1.5 -0.730 12.6-138.9-101.7 148.5 24.3 6.1 14.2 52 51 A A > - 0 0 10 4,-2.0 3,-2.4 -2,-0.3 80,-0.1 -0.539 39.5-100.0 -91.1 164.7 23.7 7.8 17.5 53 52 A E T 3 S+ 0 0 178 78,-0.4 -1,-0.1 1,-0.3 79,-0.1 0.825 124.6 55.7 -57.1 -31.7 21.5 10.9 17.5 54 53 A N T 3 S- 0 0 106 1,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.431 124.2-103.3 -81.4 1.8 24.6 13.1 17.7 55 54 A G < + 0 0 31 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.0 0.487 68.8 152.1 92.5 1.7 25.9 11.5 14.5 56 55 A A - 0 0 0 1,-0.1 -4,-2.0 -5,-0.0 2,-1.2 -0.373 52.9-119.2 -65.3 145.5 28.5 9.3 16.3 57 56 A Y E +GI 51 75B 62 18,-3.6 18,-1.9 -6,-0.2 3,-0.2 -0.777 34.9 178.1 -86.0 97.8 29.3 6.1 14.4 58 57 A L E S+ 0 0 0 -8,-2.2 69,-0.4 -2,-1.2 2,-0.4 0.916 75.3 5.8 -66.3 -44.3 28.2 3.5 17.0 59 58 A L E -G 50 0B 0 -9,-1.4 -9,-2.0 -3,-0.2 2,-0.5 -0.954 67.1-170.7-145.4 122.2 29.0 0.6 14.7 60 59 A H E -GI 49 73B 13 13,-2.7 13,-2.1 -2,-0.4 2,-0.6 -0.970 5.0-170.1-115.4 118.6 30.7 0.9 11.3 61 60 A I E -GI 48 72B 0 -13,-2.6 -13,-1.6 -2,-0.5 2,-0.5 -0.926 8.3-176.0-113.8 107.0 30.8 -2.3 9.2 62 61 A A E -GI 47 71B 0 9,-2.9 9,-3.1 -2,-0.6 2,-0.6 -0.900 12.3-156.7-110.6 129.0 33.0 -2.0 6.2 63 62 A F E -GI 46 70B 0 -17,-3.5 -18,-2.8 -2,-0.5 -17,-1.2 -0.896 9.3-173.9-104.5 120.3 33.4 -4.8 3.6 64 63 A R E >> - I 0 69B 33 5,-2.9 5,-2.1 -2,-0.6 4,-0.6 -0.895 7.9-177.2-119.1 103.9 36.6 -4.7 1.5 65 64 A L T >45S+ 0 0 33 -2,-0.6 3,-1.0 -26,-0.2 -1,-0.2 0.952 84.7 45.3 -62.0 -54.7 36.8 -7.2 -1.4 66 65 A Q T 345S+ 0 0 88 1,-0.3 -1,-0.2 -23,-0.2 -26,-0.1 0.837 119.1 42.9 -61.9 -32.4 40.3 -6.5 -2.6 67 66 A A T 345S- 0 0 52 -24,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.540 104.1-137.0 -89.6 -5.5 41.7 -6.5 0.9 68 67 A N T <<5 + 0 0 66 -3,-1.0 21,-1.2 -4,-0.6 2,-0.3 0.934 62.3 111.6 49.2 56.2 39.6 -9.5 1.7 69 68 A V E < -IJ 64 88B 8 -5,-2.1 -5,-2.9 19,-0.2 2,-0.5 -0.994 60.1-141.2-155.5 156.4 38.5 -8.2 5.1 70 69 A I E -IJ 63 87B 0 17,-1.9 17,-1.6 -2,-0.3 2,-0.4 -0.993 24.6-153.6-120.4 123.7 35.5 -6.8 7.1 71 70 A I E -IJ 62 86B 0 -9,-3.1 -9,-2.9 -2,-0.5 2,-0.5 -0.816 8.5-166.4-103.2 140.1 36.2 -3.9 9.4 72 71 A F E +IJ 61 85B 0 13,-2.1 13,-1.8 -2,-0.4 2,-0.3 -0.994 28.5 141.0-123.1 122.8 34.2 -3.1 12.5 73 72 A N E -I 60 0B 2 -13,-2.1 -13,-2.7 -2,-0.5 2,-0.3 -0.857 33.6-142.7-149.6-177.1 34.8 0.4 14.0 74 73 A S E - 0 0 0 -2,-0.3 8,-2.1 -15,-0.2 2,-0.3 -0.929 13.6-174.1-147.1 167.4 33.3 3.4 15.7 75 74 A R E -I 57 0B 79 -18,-1.9 -18,-3.6 -2,-0.3 6,-0.1 -0.922 25.5-117.9-169.5 140.2 33.8 7.2 15.7 76 75 A Q > - 0 0 80 4,-0.5 3,-1.3 -2,-0.3 -21,-0.0 -0.382 44.3-102.6 -74.2 159.9 32.6 10.4 17.4 77 76 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.865 121.0 16.7 -52.4 -39.1 30.8 12.9 15.2 78 77 A D T 3 S+ 0 0 162 2,-0.1 -22,-0.0 0, 0.0 -23,-0.0 -0.010 112.9 96.6-122.9 28.5 34.0 15.1 15.0 79 78 A G S < S- 0 0 13 -3,-1.3 2,-0.1 1,-0.1 3,-0.1 -0.616 76.0 -93.3-113.1 174.0 36.6 12.6 16.1 80 79 A P - 0 0 97 0, 0.0 -4,-0.5 0, 0.0 -1,-0.1 -0.437 52.9 -83.3 -83.6 159.7 39.0 10.2 14.4 81 80 A W - 0 0 100 -6,-0.1 -6,-0.2 -2,-0.1 3,-0.1 -0.328 52.7-141.6 -58.5 142.2 38.3 6.6 13.6 82 81 A L - 0 0 62 -8,-2.1 2,-0.5 1,-0.2 -1,-0.1 0.062 45.4 -33.9 -91.2-155.4 38.9 4.4 16.7 83 82 A V - 0 0 93 1,-0.1 -1,-0.2 -10,-0.1 2,-0.1 -0.518 63.9-139.3 -69.2 116.3 40.4 0.9 17.1 84 83 A E - 0 0 70 -2,-0.5 2,-0.4 -3,-0.1 -11,-0.2 -0.430 8.7-155.5 -75.4 148.0 39.5 -1.3 14.2 85 84 A Q E -J 72 0B 91 -13,-1.8 -13,-2.1 -2,-0.1 2,-0.3 -0.990 19.7-155.7-119.7 129.7 38.5 -5.0 14.7 86 85 A R E -J 71 0B 142 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.852 19.7-172.1-117.1 150.4 39.2 -7.1 11.6 87 86 A V E -J 70 0B 26 -17,-1.6 -17,-1.9 -2,-0.3 -2,-0.0 -0.945 19.3-150.0-136.8 111.4 37.8 -10.3 10.2 88 87 A S E +J 69 0B 72 -2,-0.4 -19,-0.2 -19,-0.2 -20,-0.1 -0.180 65.7 52.6 -74.3 171.0 39.5 -11.8 7.1 89 88 A D > - 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