==== 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 3M3Q . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR L.FENG,D.LI,D.WANG . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 74.8 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 . 148 46.5 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 52 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 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 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 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 . 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 0 158 0, 0.0 2,-0.1 0, 0.0 157,-0.1 0.000 360.0 360.0 360.0 157.5 2.8 26.0 8.3 2 1 A Q + 0 0 46 155,-0.2 2,-0.3 156,-0.1 155,-0.2 -0.431 360.0 163.5 -65.0 132.5 0.2 23.3 8.9 3 2 A G E -A 156 0A 14 153,-1.6 153,-1.8 -2,-0.1 2,-0.4 -0.968 36.5-133.8-150.7 165.6 -3.0 24.2 7.2 4 3 A V E -A 155 0A 2 274,-0.4 2,-0.4 -2,-0.3 151,-0.2 -0.989 22.2-176.5-123.5 127.9 -6.4 23.0 5.9 5 4 A N E -A 154 0A 31 149,-1.7 149,-2.1 -2,-0.4 2,-0.4 -0.972 10.0-153.0-126.5 141.3 -7.7 23.9 2.5 6 5 A I E +A 153 0A 20 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.951 12.9 178.8-119.4 132.2 -11.1 23.0 1.0 7 6 A Y E -A 152 0A 24 145,-2.5 145,-3.3 -2,-0.4 2,-0.7 -0.990 19.5-150.1-131.0 138.7 -11.9 22.7 -2.7 8 7 A N E -A 151 0A 96 -2,-0.4 2,-0.7 143,-0.2 143,-0.2 -0.920 19.2-165.3-108.4 107.8 -15.2 21.7 -4.4 9 8 A I E -A 150 0A 0 141,-3.6 141,-2.9 -2,-0.7 2,-0.2 -0.845 7.3-150.3 -98.6 115.1 -14.4 19.9 -7.6 10 9 A S E > -A 149 0A 60 -2,-0.7 3,-1.8 139,-0.2 127,-0.3 -0.581 42.5 -83.7 -78.9 145.5 -17.3 19.5 -10.1 11 10 A A T 3 S+ 0 0 30 137,-2.7 127,-0.2 1,-0.3 -1,-0.1 -0.182 116.8 21.4 -48.8 133.3 -17.0 16.4 -12.3 12 11 A G T 3 S+ 0 0 48 125,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.541 107.2 94.3 84.7 5.9 -14.8 17.1 -15.2 13 12 A T E < -F 137 0B 65 -3,-1.8 124,-1.8 124,-0.9 -1,-0.3 -0.717 55.9-148.5-122.5 175.1 -13.0 20.1 -13.8 14 13 A S E -F 136 0B 70 -2,-0.2 2,-0.4 122,-0.2 122,-0.2 -0.937 5.1-146.6-139.8 162.1 -9.7 20.7 -11.9 15 14 A V E -F 135 0B 32 120,-2.3 120,-2.4 -2,-0.3 2,-0.5 -0.982 15.1-128.9-133.0 145.1 -8.4 23.1 -9.3 16 15 A D E -F 134 0B 130 -2,-0.4 118,-0.3 118,-0.2 2,-0.1 -0.792 36.2-117.3 -90.5 132.5 -5.0 24.6 -8.6 17 16 A L E - 0 0 21 116,-2.3 -1,-0.0 -2,-0.5 -10,-0.0 -0.424 10.0-152.0 -71.9 143.7 -4.0 24.2 -5.0 18 17 A A E S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.1 115,-0.0 0.781 97.1 32.0 -80.2 -31.2 -3.5 27.2 -2.8 19 18 A A E S- 0 0 21 -3,-0.0 -1,-0.3 -16,-0.0 -14,-0.1 -0.977 94.5-126.6-128.0 115.8 -1.0 25.1 -0.9 20 19 A P E - 0 0 65 0, 0.0 2,-0.6 0, 0.0 137,-0.3 -0.265 20.2-125.8 -61.8 147.1 1.0 22.5 -2.8 21 20 A V E +F 132 0B 3 111,-2.2 111,-2.8 135,-0.1 2,-0.2 -0.856 42.2 158.3 -97.3 122.3 0.9 18.9 -1.5 22 21 A T > - 0 0 68 -2,-0.6 3,-2.7 109,-0.2 85,-0.3 -0.650 48.9 -33.1-130.3-172.4 4.4 17.4 -0.9 23 22 A T T 3 S+ 0 0 69 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.187 129.6 19.5 -48.8 123.6 6.0 14.6 1.2 24 23 A G T 3 S+ 0 0 30 83,-3.9 -1,-0.3 1,-0.4 84,-0.1 0.283 101.5 116.0 96.8 -9.2 4.2 14.2 4.5 25 24 A D < - 0 0 5 -3,-2.7 82,-2.1 82,-0.3 -1,-0.4 -0.395 50.5-145.5 -90.0 170.9 1.0 15.9 3.3 26 25 A I E -BC 106 155A 2 129,-2.5 129,-2.8 80,-0.2 2,-0.4 -0.990 12.1-171.8-139.9 145.0 -2.5 14.5 2.8 27 26 A V E -BC 105 154A 1 78,-1.8 78,-3.0 -2,-0.3 2,-0.4 -0.999 6.2-170.2-136.3 132.0 -5.5 14.9 0.5 28 27 A T E -BC 104 153A 0 125,-2.4 125,-2.6 -2,-0.4 2,-0.5 -0.989 10.4-151.6-126.4 128.6 -8.9 13.4 1.0 29 28 A F E -BC 103 152A 3 74,-3.0 74,-2.3 -2,-0.4 2,-0.5 -0.848 12.9-158.1 -98.1 128.9 -11.6 13.4 -1.6 30 29 A F E -BC 102 151A 32 121,-3.3 121,-2.2 -2,-0.5 2,-0.4 -0.936 6.0-168.4-111.6 126.5 -15.2 13.3 -0.2 31 30 A S E -BC 101 150A 7 70,-2.8 70,-1.8 -2,-0.5 119,-0.1 -0.935 16.4-154.8-112.1 133.8 -18.1 12.1 -2.3 32 31 A S S S+ 0 0 96 117,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.218 80.9 43.1 -89.5 15.0 -21.7 12.7 -1.1 33 32 A A - 0 0 36 68,-0.1 114,-0.5 114,-0.1 2,-0.3 -0.986 59.3-161.1-154.0 159.0 -22.8 9.7 -3.2 34 33 A L + 0 0 33 -2,-0.3 2,-0.6 112,-0.2 65,-0.4 -0.813 12.6 172.0-148.6 103.1 -21.8 6.2 -4.1 35 34 A N > + 0 0 74 110,-1.7 3,-1.0 -2,-0.3 111,-0.1 -0.852 7.9 170.5-117.6 97.4 -23.2 4.4 -7.2 36 35 A L T 3 S+ 0 0 50 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.274 81.1 60.7 -86.0 10.7 -21.5 1.1 -7.9 37 36 A N T 3 + 0 0 150 1,-0.1 -1,-0.3 108,-0.0 3,-0.1 -0.009 64.9 121.7-122.0 23.6 -24.2 0.4 -10.5 38 37 A A S < S- 0 0 15 -3,-1.0 2,-0.1 1,-0.2 -2,-0.1 0.686 71.6-125.6 -61.6 -20.8 -23.3 3.4 -12.6 39 38 A G - 0 0 36 -3,-0.1 26,-0.3 104,-0.0 27,-0.2 -0.352 49.1 -18.5 100.5 176.2 -22.7 1.2 -15.6 40 39 A A - 0 0 69 25,-0.1 4,-0.1 -2,-0.1 24,-0.0 -0.310 63.8-138.2 -60.2 133.2 -19.7 0.7 -18.0 41 40 A G - 0 0 13 2,-0.6 3,-0.3 -2,-0.1 4,-0.3 -0.089 28.0-100.0 -79.3-173.6 -17.2 3.5 -18.0 42 41 A N S S- 0 0 128 2,-1.7 3,-0.1 101,-0.0 -1,-0.0 -0.275 99.0 -56.9-129.7 53.2 -15.6 4.9 -21.2 43 42 A P S S+ 0 0 58 0, 0.0 -2,-0.6 0, 0.0 23,-0.3 -0.973 143.5 50.2 -85.2 -21.8 -13.5 3.1 -20.0 44 43 A N - 0 0 31 -3,-0.3 -2,-1.7 1,-0.1 20,-0.2 -0.501 52.8-165.3 -80.4 144.3 -13.3 4.8 -16.7 45 44 A N S S- 0 0 1 18,-2.9 95,-0.4 1,-0.4 2,-0.3 0.846 80.4 -2.0 -88.9 -43.3 -16.4 5.7 -14.5 46 45 A T E -G 63 0B 0 17,-1.4 17,-3.1 98,-0.2 -1,-0.4 -0.998 61.3-169.8-149.7 144.8 -14.4 8.1 -12.3 47 46 A T E -GH 62 138B 6 91,-1.7 91,-2.2 -2,-0.3 2,-0.4 -0.993 5.5-163.6-137.0 146.0 -10.9 9.3 -12.0 48 47 A L E -GH 61 137B 0 13,-1.9 13,-2.2 -2,-0.4 2,-0.4 -0.985 21.8-165.1-124.0 135.5 -9.2 11.4 -9.2 49 48 A N E -GH 60 136B 3 87,-2.5 87,-1.6 -2,-0.4 2,-0.5 -0.960 25.9-158.8-136.2 147.5 -5.9 13.0 -10.1 50 49 A L E -GH 59 135B 2 9,-2.1 8,-2.1 -2,-0.4 9,-1.5 -0.976 27.0-160.4-116.8 115.0 -2.8 14.7 -8.6 51 50 A F E -GH 57 134B 31 83,-2.6 82,-2.5 -2,-0.5 83,-1.4 -0.749 11.1-134.3-102.7 146.2 -1.0 16.8 -11.1 52 51 A A > - 0 0 14 4,-2.6 3,-1.9 -2,-0.3 80,-0.1 -0.392 40.5 -95.7 -83.3 169.6 2.6 18.1 -11.1 53 52 A E T 3 S+ 0 0 163 78,-0.5 -1,-0.1 1,-0.3 79,-0.1 0.813 126.5 50.5 -56.2 -34.8 3.3 21.7 -12.0 54 53 A N T 3 S- 0 0 105 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.376 125.6 -99.2 -87.5 3.6 4.1 20.7 -15.6 55 54 A G S < S+ 0 0 30 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.397 71.3 150.6 96.4 -3.6 0.9 18.7 -16.0 56 55 A A - 0 0 1 1,-0.1 -4,-2.6 -5,-0.1 2,-1.1 -0.362 53.8-118.1 -64.2 139.4 2.4 15.3 -15.3 57 56 A Y E +GI 51 75B 49 18,-2.3 18,-1.6 -6,-0.2 3,-0.2 -0.705 35.0 177.0 -77.7 102.1 -0.0 12.8 -13.8 58 57 A L E S+ 0 0 0 -8,-2.1 69,-0.4 -2,-1.1 2,-0.4 0.909 77.2 9.7 -72.2 -42.6 1.8 12.1 -10.5 59 58 A L E -G 50 0B 0 -9,-1.5 -9,-2.1 -3,-0.2 2,-0.5 -0.958 66.6-172.5-143.4 122.6 -1.1 9.8 -9.5 60 59 A H E -GI 49 73B 15 13,-2.6 13,-1.7 -2,-0.4 2,-0.6 -0.970 6.0-170.6-114.5 119.7 -4.0 8.7 -11.6 61 60 A I E -GI 48 72B 2 -13,-2.2 -13,-1.9 -2,-0.5 2,-0.5 -0.942 8.1-176.3-115.4 109.5 -6.8 6.8 -9.8 62 61 A A E -GI 47 71B 0 9,-3.5 9,-3.5 -2,-0.6 2,-0.6 -0.926 16.0-157.8-115.0 123.0 -9.3 5.2 -12.1 63 62 A F E -GI 46 70B 0 -17,-3.1 -18,-2.9 -2,-0.5 -17,-1.4 -0.853 14.8-177.4 -95.3 119.5 -12.4 3.4 -11.0 64 63 A R E >>> - I 0 69B 28 5,-3.0 5,-2.0 -2,-0.6 3,-0.7 -0.846 9.5-177.1-124.1 94.4 -13.6 1.1 -13.8 65 64 A L G >45S+ 0 0 32 -2,-0.5 3,-1.1 -26,-0.3 -1,-0.2 0.885 80.8 56.3 -58.5 -44.5 -16.8 -0.8 -13.0 66 65 A Q G 345S+ 0 0 84 -23,-0.3 -1,-0.2 1,-0.3 -26,-0.1 0.763 116.5 37.8 -62.6 -24.2 -17.0 -2.9 -16.1 67 66 A E G <45S- 0 0 85 -3,-0.7 -1,-0.3 -24,-0.2 -2,-0.2 0.427 107.3-131.6-102.5 -1.4 -13.5 -4.3 -15.4 68 67 A N T <<5 + 0 0 75 -3,-1.1 21,-1.7 -4,-0.5 2,-0.3 0.922 65.5 115.0 51.0 52.4 -14.3 -4.4 -11.7 69 68 A V E < -IJ 64 88B 2 -5,-2.0 -5,-3.0 19,-0.2 2,-0.5 -0.973 63.1-137.9-149.0 159.5 -11.0 -2.7 -10.8 70 69 A I E -IJ 63 87B 0 17,-2.4 17,-2.6 -2,-0.3 2,-0.4 -0.990 29.8-155.8-116.6 121.4 -9.4 0.4 -9.4 71 70 A I E -IJ 62 86B 0 -9,-3.5 -9,-3.5 -2,-0.5 2,-0.4 -0.860 10.4-169.6-106.3 133.7 -6.3 1.5 -11.5 72 71 A F E +IJ 61 85B 0 13,-2.0 13,-2.1 -2,-0.4 2,-0.3 -0.971 26.9 134.3-118.4 132.8 -3.4 3.5 -10.2 73 72 A N E -I 60 0B 2 -13,-1.7 -13,-2.6 -2,-0.4 2,-0.3 -0.893 32.5-145.6-159.2-174.3 -0.8 4.9 -12.7 74 73 A S E + 0 0 0 -2,-0.3 8,-2.8 -15,-0.2 2,-0.3 -0.932 14.9 170.6-155.3 170.7 1.2 7.9 -13.8 75 74 A R E -I 57 0B 50 -18,-1.6 -18,-2.3 -2,-0.3 6,-0.1 -0.894 35.7-100.4 178.0 154.4 2.6 9.5 -16.9 76 75 A Q > - 0 0 86 4,-0.4 3,-1.1 -2,-0.3 -21,-0.1 -0.436 45.8-105.1 -78.2 158.9 4.3 12.6 -18.3 77 76 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.840 123.2 26.7 -56.5 -33.9 2.0 15.2 -20.1 78 77 A D T 3 S+ 0 0 164 2,-0.1 -22,-0.0 0, 0.0 -2,-0.0 0.236 111.8 94.0-110.8 10.9 3.4 14.0 -23.5 79 78 A G S < S- 0 0 22 -3,-1.1 2,-0.1 1,-0.1 3,-0.1 -0.464 78.9 -96.3-101.6 173.1 4.2 10.5 -22.4 80 79 A P - 0 0 102 0, 0.0 -4,-0.4 0, 0.0 2,-0.2 -0.402 51.9 -86.7 -80.9 163.2 2.5 7.1 -22.5 81 80 A W - 0 0 106 -6,-0.1 -6,-0.2 1,-0.1 3,-0.1 -0.521 51.8-141.3 -66.5 136.3 0.6 5.8 -19.5 82 81 A L - 0 0 67 -8,-2.8 2,-0.5 -2,-0.2 -1,-0.1 0.194 46.9 -33.9 -82.8-152.1 3.2 4.0 -17.4 83 82 A V - 0 0 94 1,-0.1 -1,-0.2 -10,-0.1 2,-0.1 -0.556 62.0-137.5 -76.3 121.7 2.7 0.7 -15.5 84 83 A E - 0 0 73 -2,-0.5 2,-0.5 -3,-0.1 -11,-0.2 -0.436 7.0-155.0 -75.9 146.2 -0.7 0.2 -14.0 85 84 A Q E -J 72 0B 91 -13,-2.1 -13,-2.0 -2,-0.1 2,-0.5 -0.991 20.6-156.0-120.1 115.2 -1.2 -1.2 -10.5 86 85 A R E -J 71 0B 114 -2,-0.5 2,-0.6 -15,-0.2 -15,-0.2 -0.845 16.1-168.1-105.5 128.1 -4.7 -2.9 -10.3 87 86 A V E -J 70 0B 23 -17,-2.6 -17,-2.4 -2,-0.5 2,-0.1 -0.947 22.1-146.4-108.7 118.8 -6.8 -3.5 -7.3 88 87 A S E +J 69 0B 84 -2,-0.6 -19,-0.2 -19,-0.2 -20,-0.1 -0.376 64.2 41.4 -84.2 163.8 -9.7 -5.8 -8.0 89 88 A D > - 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