==== 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 2ZGS . COMPND 2 MOLECULE: ANTI-TUMOR LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROCYBE AEGERITA; . AUTHOR D.F.LI,N.YANG,D.C.WANG . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 74.1 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 . 141 44.5 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 . 2 0.6 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 . 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 . 52 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 . 0 0 0 2 7 9 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 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 0 169 0, 0.0 2,-0.1 0, 0.0 157,-0.1 0.000 360.0 360.0 360.0 149.3 20.5 -0.1 -12.1 2 1 A Q + 0 0 20 155,-0.1 2,-0.3 156,-0.1 155,-0.2 -0.442 360.0 175.7 -71.4 142.1 19.0 2.8 -10.3 3 2 A G E -A 156 0A 17 153,-1.8 153,-2.0 -2,-0.1 2,-0.4 -0.979 30.3-136.2-149.4 161.4 15.2 3.1 -10.3 4 3 A V E -A 155 0A 5 273,-0.3 2,-0.4 -2,-0.3 151,-0.2 -0.974 20.5-174.6-119.7 128.4 12.2 4.9 -9.1 5 4 A N E -A 154 0A 26 149,-1.7 149,-2.3 -2,-0.4 2,-0.4 -0.987 8.3-156.3-125.5 135.2 9.1 3.1 -7.8 6 5 A I E -A 153 0A 19 -2,-0.4 2,-0.4 147,-0.2 147,-0.2 -0.947 11.4-179.6-116.8 128.9 5.9 4.8 -6.8 7 6 A Y E -A 152 0A 28 145,-2.7 145,-3.1 -2,-0.4 2,-0.7 -0.992 18.2-152.6-131.3 130.6 3.3 3.3 -4.5 8 7 A N E -A 151 0A 101 -2,-0.4 2,-0.6 143,-0.2 143,-0.2 -0.889 19.8-166.9-100.7 112.4 -0.0 4.8 -3.3 9 8 A I E -A 150 0A 1 141,-3.1 141,-2.7 -2,-0.7 2,-0.2 -0.886 9.0-147.9-107.6 116.0 -0.8 3.3 0.1 10 9 A S E > -A 149 0A 58 -2,-0.6 3,-1.7 139,-0.2 127,-0.3 -0.536 42.5 -83.0 -78.2 145.0 -4.3 3.7 1.5 11 10 A A T 3 S+ 0 0 25 137,-2.8 127,-0.2 1,-0.3 -1,-0.1 -0.181 117.1 21.2 -49.1 127.2 -4.6 4.0 5.3 12 11 A G T 3 S+ 0 0 48 125,-2.6 -1,-0.3 1,-0.3 2,-0.3 0.545 106.8 95.3 91.2 8.9 -4.5 0.5 6.8 13 12 A T E < -F 137 0B 64 -3,-1.7 124,-1.9 124,-1.0 -1,-0.3 -0.787 55.7-146.3-126.9 170.2 -2.9 -1.3 3.9 14 13 A S E -F 136 0B 71 -2,-0.3 2,-0.4 122,-0.2 122,-0.2 -0.868 7.2-147.0-131.2 165.1 0.5 -2.5 2.9 15 14 A V E -F 135 0B 30 120,-2.5 120,-2.2 -2,-0.3 2,-0.5 -0.995 14.0-130.3-135.9 141.3 2.3 -2.9 -0.5 16 15 A D E -F 134 0B 128 -2,-0.4 118,-0.3 118,-0.2 2,-0.2 -0.778 34.1-119.2 -90.0 133.0 4.9 -5.3 -1.7 17 16 A L E - 0 0 19 116,-2.9 -1,-0.0 -2,-0.5 -10,-0.0 -0.477 9.0-151.6 -76.4 140.4 7.8 -3.6 -3.4 18 17 A A E S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 115,-0.0 0.845 97.5 31.6 -73.9 -34.9 8.7 -4.3 -7.0 19 18 A A E S- 0 0 22 -3,-0.0 -1,-0.3 -16,-0.0 -14,-0.1 -0.980 94.3-127.7-125.2 116.6 12.3 -3.5 -6.1 20 19 A P E - 0 0 63 0, 0.0 2,-0.6 0, 0.0 113,-0.2 -0.242 19.4-122.5 -62.9 152.5 13.4 -4.3 -2.5 21 20 A V E +F 132 0B 3 111,-2.3 111,-2.9 135,-0.1 2,-0.2 -0.872 43.0 158.3 -99.4 124.1 15.1 -1.6 -0.5 22 21 A T > - 0 0 71 -2,-0.6 3,-2.6 109,-0.2 85,-0.3 -0.645 48.6 -31.6-130.9-171.4 18.5 -2.5 0.8 23 22 A T T 3 S+ 0 0 70 1,-0.3 136,-0.4 -2,-0.2 85,-0.2 -0.187 128.9 18.0 -50.2 123.9 21.7 -0.8 2.0 24 23 A G T 3 S+ 0 0 26 83,-3.6 -1,-0.3 1,-0.4 2,-0.1 0.334 101.0 117.4 95.7 -5.4 22.1 2.6 0.3 25 24 A D < - 0 0 4 -3,-2.6 82,-2.3 82,-0.2 -1,-0.4 -0.424 51.0-141.8 -92.7 169.5 18.5 2.8 -0.8 26 25 A I E -BC 106 155A 4 129,-2.2 129,-2.7 80,-0.2 2,-0.4 -0.981 12.6-172.3-135.1 144.0 15.9 5.4 0.1 27 26 A V E -BC 105 154A 1 78,-1.9 78,-3.2 -2,-0.3 2,-0.4 -1.000 7.7-172.6-133.5 133.0 12.1 5.4 0.9 28 27 A T E -BC 104 153A 0 125,-2.5 125,-2.6 -2,-0.4 2,-0.5 -0.994 12.1-152.5-129.9 128.4 10.1 8.5 1.3 29 28 A F E -BC 103 152A 3 74,-3.0 74,-2.4 -2,-0.4 2,-0.5 -0.878 15.3-158.2 -97.5 125.0 6.4 8.6 2.4 30 29 A F E -BC 102 151A 28 121,-3.3 121,-2.3 -2,-0.5 2,-0.4 -0.909 6.1-167.4-108.4 129.4 4.6 11.7 1.2 31 30 A S E -B 101 0A 7 70,-3.1 70,-2.1 -2,-0.5 119,-0.1 -0.954 16.7-155.6-115.7 132.7 1.4 13.0 2.9 32 31 A S S S+ 0 0 95 117,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.229 81.2 38.7 -89.0 14.2 -0.8 15.6 1.2 33 32 A A - 0 0 35 68,-0.1 114,-0.4 114,-0.1 2,-0.3 -0.971 59.0-159.5-154.6 163.1 -2.1 16.6 4.7 34 33 A L + 0 0 33 -2,-0.3 2,-0.6 112,-0.2 65,-0.4 -0.827 10.5 178.8-150.8 106.9 -0.9 17.2 8.2 35 34 A N > + 0 0 71 110,-1.8 3,-1.2 -2,-0.3 111,-0.1 -0.812 8.5 171.7-115.3 92.2 -3.5 17.1 11.0 36 35 A L T 3 S+ 0 0 54 -2,-0.6 -1,-0.1 1,-0.3 55,-0.1 0.389 81.6 57.6 -77.5 4.7 -1.8 17.6 14.4 37 36 A N T 3 S+ 0 0 151 108,-0.1 -1,-0.3 -3,-0.0 3,-0.1 -0.011 77.4 136.9-121.6 27.5 -5.2 17.9 16.0 38 37 A A < - 0 0 13 -3,-1.2 105,-0.2 105,-0.1 3,-0.1 -0.121 61.6 -79.3 -66.5 171.4 -6.5 14.5 14.8 39 38 A G - 0 0 36 103,-0.8 2,-0.4 1,-0.2 27,-0.2 0.332 65.4 -62.2 -57.6-164.7 -8.5 12.4 17.3 40 39 A A - 0 0 54 25,-0.1 -1,-0.2 -3,-0.1 4,-0.1 -0.728 50.5-136.9 -87.5 131.3 -7.1 10.2 20.0 41 40 A G - 0 0 13 -2,-0.4 4,-0.2 2,-0.4 3,-0.2 -0.345 16.8-121.1 -78.6 169.4 -4.8 7.4 18.8 42 41 A N S S- 0 0 141 2,-1.2 -1,-0.1 -2,-0.1 3,-0.0 -0.334 93.0 -56.0-135.6 57.5 -5.2 4.0 20.4 43 42 A P S S+ 0 0 56 0, 0.0 -2,-0.4 0, 0.0 24,-0.3 -0.992 141.2 59.6 -94.3 -7.6 -2.4 4.6 21.0 44 43 A N - 0 0 38 -3,-0.2 -2,-1.2 1,-0.2 20,-0.2 -0.584 42.7-178.0 -85.5 139.6 -1.2 5.3 17.4 45 44 A N S S- 0 0 2 18,-2.8 95,-0.4 1,-0.4 2,-0.3 0.783 81.2 -0.8 -95.4 -38.1 -2.6 7.9 15.1 46 45 A T E -G 63 0B 0 17,-1.4 17,-3.6 98,-0.2 -1,-0.4 -0.993 62.2-171.4-153.3 141.7 -0.3 6.9 12.3 47 46 A T E -GH 62 138B 8 91,-1.6 91,-1.7 -2,-0.3 2,-0.4 -0.981 6.2-163.5-136.3 147.2 2.4 4.4 11.7 48 47 A A E -GH 61 137B 3 13,-2.1 13,-2.2 -2,-0.3 2,-0.3 -0.998 22.1-170.9-128.9 128.5 4.8 3.9 8.8 49 48 A N E -GH 60 136B 0 87,-2.2 87,-1.5 -2,-0.4 2,-0.5 -0.939 25.2-156.1-132.9 149.2 6.5 0.6 8.5 50 49 A L E -GH 59 135B 0 9,-2.3 8,-2.0 -2,-0.3 9,-1.7 -0.984 25.2-164.7-118.5 123.7 9.3 -1.3 6.7 51 50 A F E -GH 57 134B 23 83,-2.7 82,-2.6 -2,-0.5 83,-1.3 -0.830 15.7-132.3-115.1 151.1 9.0 -5.1 6.6 52 51 A A > - 0 0 8 4,-2.1 3,-1.9 -2,-0.3 80,-0.2 -0.414 42.0 -97.4 -85.5 169.2 11.3 -8.0 5.8 53 52 A E T 3 S+ 0 0 159 78,-0.5 -1,-0.1 1,-0.3 79,-0.1 0.828 124.0 55.1 -58.9 -33.3 10.1 -10.7 3.5 54 53 A N T 3 S- 0 0 105 1,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.411 125.1 -98.3 -81.9 1.9 9.2 -13.0 6.4 55 54 A G S < S+ 0 0 36 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.0 0.433 71.6 149.6 98.7 -2.1 7.0 -10.3 8.0 56 55 A A - 0 0 0 1,-0.1 -4,-2.1 -5,-0.0 2,-1.2 -0.367 53.4-119.9 -66.4 144.3 9.4 -8.9 10.5 57 56 A Y E +GI 51 75B 42 18,-2.5 18,-1.3 -6,-0.2 3,-0.2 -0.765 32.5 178.6 -83.9 98.6 9.0 -5.2 11.4 58 57 A L E S+ 0 0 0 -8,-2.0 69,-0.4 -2,-1.2 2,-0.3 0.924 78.4 5.4 -66.2 -42.4 12.5 -3.9 10.3 59 58 A L E -G 50 0B 0 -9,-1.7 -9,-2.3 -3,-0.2 2,-0.5 -0.944 65.2-170.6-148.1 122.7 11.3 -0.5 11.4 60 59 A H E -GI 49 73B 16 13,-2.6 13,-1.7 -2,-0.3 2,-0.6 -0.967 7.7-171.9-113.3 116.2 8.0 0.5 13.1 61 60 A I E -GI 48 72B 1 -13,-2.2 -13,-2.1 -2,-0.5 2,-0.5 -0.957 7.2-175.0-111.6 113.6 7.5 4.3 13.2 62 61 A A E -GI 47 71B 0 9,-2.7 9,-2.7 -2,-0.6 2,-0.6 -0.945 13.1-155.9-117.6 122.2 4.4 5.3 15.3 63 62 A F E -GI 46 70B 1 -17,-3.6 -18,-2.8 -2,-0.5 -17,-1.4 -0.835 13.4-176.8 -96.3 122.6 3.2 8.8 15.7 64 63 A R E > - I 0 69B 35 5,-2.5 5,-2.2 -2,-0.6 4,-0.3 -0.927 12.1-176.8-125.1 107.0 1.2 9.4 18.9 65 64 A L T 5S+ 0 0 25 -2,-0.5 3,-0.2 3,-0.2 25,-0.2 0.936 85.4 45.5 -65.8 -50.2 -0.4 12.9 19.4 66 65 A Q T 5S+ 0 0 151 1,-0.3 -1,-0.2 -23,-0.2 -22,-0.1 0.870 119.9 39.9 -64.1 -39.7 -1.8 12.3 22.9 67 66 A E T 5S- 0 0 85 -24,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.524 106.3-140.9 -83.2 -7.4 1.4 10.7 24.2 68 67 A N T 5 + 0 0 79 -4,-0.3 21,-1.9 -3,-0.2 2,-0.3 0.936 59.6 106.4 44.9 64.8 3.1 13.4 22.2 69 68 A V E < -IJ 64 88B 0 -5,-2.2 -5,-2.5 19,-0.3 2,-0.5 -0.987 64.2-134.8-163.4 154.5 5.9 11.1 21.0 70 69 A I E -IJ 63 87B 1 17,-2.3 17,-1.8 -2,-0.3 2,-0.3 -0.989 30.4-155.7-115.9 125.0 7.1 9.3 17.9 71 70 A I E -IJ 62 86B 2 -9,-2.7 -9,-2.7 -2,-0.5 2,-0.4 -0.809 9.1-164.1-107.0 145.8 8.1 5.8 18.7 72 71 A F E +IJ 61 85B 1 13,-2.4 13,-2.4 -2,-0.3 2,-0.3 -0.995 25.7 136.7-128.1 128.9 10.6 3.5 16.8 73 72 A N E -I 60 0B 8 -13,-1.7 -13,-2.6 -2,-0.4 2,-0.3 -0.923 32.0-142.4-156.3-178.8 10.9 -0.2 17.3 74 73 A S E - 0 0 0 -2,-0.3 8,-2.5 -15,-0.2 2,-0.3 -0.911 12.5-176.6-145.3 168.3 11.2 -3.6 15.6 75 74 A R E -I 57 0B 71 -18,-1.3 -18,-2.5 -2,-0.3 6,-0.1 -0.920 29.1-111.5-169.8 143.1 9.9 -7.1 16.1 76 75 A Q > - 0 0 88 4,-0.5 3,-1.7 -2,-0.3 -21,-0.0 -0.342 54.6 -84.8 -72.9 163.1 10.3 -10.6 14.6 77 76 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.793 123.3 7.2 -37.9 -47.0 7.3 -12.0 12.7 78 77 A D T 3 S+ 0 0 163 2,-0.1 -22,-0.0 -22,-0.0 -23,-0.0 0.016 111.5 103.9-130.3 29.7 5.6 -13.5 15.8 79 78 A G S < S- 0 0 19 -3,-1.7 3,-0.1 1,-0.1 2,-0.0 -0.518 74.0 -84.5-107.9 176.0 7.8 -12.1 18.6 80 79 A P - 0 0 103 0, 0.0 -4,-0.5 0, 0.0 -1,-0.1 -0.307 54.7 -87.9 -74.5 160.2 7.5 -9.3 21.2 81 80 A W - 0 0 102 -6,-0.1 -6,-0.2 1,-0.1 3,-0.1 -0.404 48.4-141.6 -64.9 146.3 8.4 -5.7 20.4 82 81 A L - 0 0 68 -8,-2.5 2,-0.7 1,-0.2 -1,-0.1 0.227 50.9 -27.0 -90.3-146.0 12.1 -5.1 21.1 83 82 A V - 0 0 94 1,-0.0 -1,-0.2 -10,-0.0 2,-0.1 -0.588 68.4-141.8 -75.9 112.2 13.9 -2.1 22.5 84 83 A E - 0 0 73 -2,-0.7 2,-0.4 -3,-0.1 -11,-0.2 -0.418 10.8-157.9 -75.1 144.4 11.9 1.0 21.9 85 84 A Q E -J 72 0B 87 -13,-2.4 -13,-2.4 -2,-0.1 2,-0.3 -0.953 12.8-153.1-120.1 141.9 13.4 4.4 21.0 86 85 A R E -J 71 0B 131 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.898 20.3-172.5-124.4 151.1 11.5 7.7 21.6 87 86 A V E -J 70 0B 18 -17,-1.8 -17,-2.3 -2,-0.3 6,-0.1 -0.936 26.5-144.4-136.3 106.7 11.4 11.2 20.1 88 87 A S E +J 69 0B 89 -2,-0.4 -19,-0.3 -19,-0.2 -20,-0.1 -0.360 65.8 38.1 -74.8 154.2 9.2 13.5 22.1 89 88 A D > - 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