==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 30-JAN-12 4AGI . COMPND 2 MOLECULE: FUCOSE-SPECIFIC LECTIN FLEA; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR J.HOUSER,J.KOMAREK,N.KOSTLANOVA,M.LAHMANN,G.CIOCI,A.VARROT,A . 1256 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 770 61.3 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 . 534 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 40 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 60 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 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 . 8 4 12 8 19 24 9 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 16 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 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 2 A S 0 0 53 0, 0.0 289,-0.1 0, 0.0 288,-0.1 0.000 360.0 360.0 360.0-166.3 64.7 29.1 106.7 2 3 A T > - 0 0 22 287,-0.5 4,-2.0 1,-0.1 312,-0.0 -0.930 360.0-116.2-132.8 158.7 67.0 27.1 104.5 3 4 A P T 4 S+ 0 0 97 0, 0.0 4,-0.4 0, 0.0 311,-0.1 0.902 117.0 50.6 -61.6 -41.6 67.2 27.3 100.7 4 5 A G T >4 S+ 0 0 10 1,-0.2 3,-1.8 2,-0.2 4,-0.4 0.933 108.1 50.7 -60.9 -47.2 66.1 23.7 100.5 5 6 A A G >4 S+ 0 0 0 1,-0.3 3,-2.1 308,-0.2 -1,-0.2 0.896 101.3 64.8 -59.1 -35.5 63.2 24.2 102.8 6 7 A Q G 3< S+ 0 0 28 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.642 91.9 64.3 -63.1 -15.1 62.1 27.1 100.6 7 8 A Q G < S+ 0 0 63 -3,-1.8 23,-2.2 -4,-0.4 2,-0.4 0.635 83.7 90.7 -80.2 -20.4 61.5 24.7 97.7 8 9 A V B < S-A 29 0A 2 -3,-2.1 21,-0.2 -4,-0.4 2,-0.2 -0.694 85.9-115.1 -84.2 127.5 58.7 22.9 99.6 9 10 A L > - 0 0 36 19,-2.2 3,-1.9 -2,-0.4 2,-0.3 -0.377 30.2-113.8 -60.3 131.3 55.2 24.3 99.0 10 11 A F T 3 S+ 0 0 26 1,-0.3 -1,-0.1 -2,-0.2 281,-0.1 -0.539 104.8 10.5 -66.6 125.2 53.6 25.8 102.1 11 12 A R T 3 S+ 0 0 53 -2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.727 95.2 175.7 64.9 31.1 50.7 23.5 103.0 12 13 A T < - 0 0 0 -3,-1.9 252,-0.4 16,-0.1 -1,-0.2 -0.248 37.7-104.2 -53.4 145.8 51.8 21.0 100.4 13 14 A G - 0 0 7 46,-0.5 15,-0.6 251,-0.1 2,-0.4 -0.395 42.5-157.1 -62.6 144.4 49.9 17.7 100.1 14 15 A I E +B 27 0B 8 47,-0.4 2,-0.3 251,-0.2 251,-0.2 -0.995 18.5 169.5-135.3 136.4 52.0 15.0 101.7 15 16 A A E -B 26 0B 6 11,-2.1 11,-2.9 -2,-0.4 2,-0.3 -0.944 8.5-168.2-138.6 160.0 51.9 11.2 101.2 16 17 A A E -B 25 0B 11 -2,-0.3 2,-0.3 47,-0.3 9,-0.2 -0.997 6.3-177.6-149.8 147.6 54.2 8.3 102.3 17 18 A V E +B 24 0B 4 7,-2.2 7,-2.6 -2,-0.3 2,-0.3 -0.923 12.0 173.5-136.4 168.7 54.8 4.7 101.6 18 19 A N E -B 23 0B 24 -2,-0.3 2,-0.4 5,-0.2 49,-0.2 -0.999 36.9-140.2-164.0 160.8 57.1 2.0 103.0 19 20 A S E > S-B 22 0B 29 3,-2.2 3,-2.5 -2,-0.3 251,-0.1 -0.967 84.2 -58.9-126.9 114.4 58.3 -1.5 103.3 20 21 A T T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 249,-0.0 -0.195 123.2 -12.6 38.3-124.0 59.0 -1.8 107.0 21 22 A N T 3 S+ 0 0 83 -3,-0.1 2,-0.7 2,-0.1 20,-0.4 0.188 112.0 101.6 -89.6 20.4 61.6 1.0 107.8 22 23 A H E < -B 19 0B 67 -3,-2.5 -3,-2.2 18,-0.1 2,-0.3 -0.929 62.9-171.1-100.5 113.7 62.4 1.7 104.1 23 24 A L E -BC 18 39B 3 16,-2.5 16,-2.5 -2,-0.7 2,-0.4 -0.829 27.2-171.3-120.4 150.0 60.5 4.9 103.5 24 25 A R E -BC 17 38B 34 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.4 -0.997 8.9-166.4-134.0 138.0 59.4 7.2 100.7 25 26 A V E -BC 16 37B 0 12,-2.6 12,-3.1 -2,-0.4 2,-0.4 -0.986 5.0-158.3-127.4 131.1 57.7 10.6 101.2 26 27 A Y E +BC 15 36B 0 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.3 -0.881 21.6 151.7-107.1 141.5 55.9 12.6 98.4 27 28 A F E -BC 14 35B 4 8,-1.7 8,-2.8 -2,-0.4 2,-0.4 -0.943 40.1-103.9-157.2 171.3 55.3 16.3 98.4 28 29 A Q E - C 0 34B 0 -15,-0.6 -19,-2.2 -2,-0.3 6,-0.2 -0.860 26.9-142.8-107.9 135.6 54.8 19.2 96.0 29 30 A D B > -A 8 0A 3 4,-2.8 3,-2.1 -2,-0.4 -21,-0.2 -0.397 37.4 -93.8 -83.7 175.4 57.5 21.9 95.4 30 31 A V T 3 S+ 0 0 8 -23,-2.2 -22,-0.1 1,-0.3 -1,-0.1 0.671 125.0 55.4 -67.3 -17.0 56.7 25.5 94.8 31 32 A Y T 3 S- 0 0 144 -24,-0.3 -1,-0.3 2,-0.1 26,-0.1 0.407 121.1-103.7 -91.1 -0.6 56.7 25.0 91.0 32 33 A G S < S+ 0 0 2 -3,-2.1 23,-2.1 1,-0.3 2,-0.2 0.368 75.5 136.5 91.3 -2.4 54.1 22.3 91.2 33 34 A S E - D 0 54B 19 21,-0.2 -4,-2.8 -5,-0.1 2,-0.5 -0.494 53.4-128.1 -76.6 147.7 56.3 19.3 90.7 34 35 A I E -CD 28 53B 0 19,-2.9 18,-2.9 -6,-0.2 19,-0.8 -0.863 31.7-168.6 -97.6 121.9 55.9 16.2 92.9 35 36 A R E -CD 27 51B 5 -8,-2.8 -8,-1.7 -2,-0.5 2,-0.5 -0.766 14.1-137.2-113.2 156.4 59.1 15.1 94.5 36 37 A E E -C 26 0B 20 14,-2.0 10,-2.3 -2,-0.3 2,-0.3 -0.976 10.5-167.8-115.9 128.3 60.2 12.0 96.4 37 38 A S E -CE 25 45B 0 -12,-3.1 -12,-2.6 -2,-0.5 2,-0.3 -0.776 17.8-154.2-105.3 152.7 62.3 11.9 99.5 38 39 A L E -CE 24 44B 32 6,-2.3 6,-2.3 -2,-0.3 2,-0.4 -0.953 17.1-162.0-135.3 142.8 63.7 8.6 100.6 39 40 A Y E +CE 23 43B 70 -16,-2.5 -16,-2.5 -2,-0.3 4,-0.2 -0.938 25.8 149.5-129.4 113.2 64.9 6.9 103.8 40 41 A E S S- 0 0 84 2,-1.6 -18,-0.1 -2,-0.4 3,-0.1 -0.609 97.4 -41.6-130.8 65.7 67.1 3.8 103.5 41 42 A G S S+ 0 0 56 -20,-0.4 2,-0.3 -2,-0.1 -2,-0.1 0.104 139.7 32.2 93.4 -26.7 69.1 4.2 106.7 42 43 A S S S- 0 0 78 -4,-0.0 -2,-1.6 2,-0.0 2,-0.3 -0.966 93.8 -92.6-153.3 162.8 69.4 7.9 106.2 43 44 A W E +E 39 0B 30 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.565 51.9 160.6 -84.5 138.6 67.3 10.7 104.5 44 45 A A E +E 38 0B 30 -6,-2.3 -6,-2.3 -2,-0.3 2,-0.1 -0.910 31.0 14.8-148.1 166.0 68.0 11.5 100.9 45 46 A N E +E 37 0B 62 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.311 39.8 139.9 73.0-139.0 66.7 13.1 97.8 46 47 A G + 0 0 0 -10,-2.3 -9,-0.2 1,-0.2 -1,-0.1 0.651 52.2 125.8 69.1 14.0 63.7 15.5 97.6 47 48 A T S > S- 0 0 56 -11,-0.3 3,-2.1 1,-0.1 -11,-0.2 -0.338 83.5 -90.1 -97.8 178.5 65.6 17.6 95.0 48 49 A E G > S+ 0 0 70 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.745 128.0 58.7 -57.7 -22.4 64.8 19.0 91.6 49 50 A K G 3 S+ 0 0 142 1,-0.2 -1,-0.3 -4,-0.0 -3,-0.0 0.458 97.0 62.7 -85.1 -2.1 66.4 15.7 90.3 50 51 A N G < S+ 0 0 35 -3,-2.1 -14,-2.0 -5,-0.0 2,-0.4 -0.133 70.1 135.9-116.5 34.5 63.8 13.6 92.3 51 52 A V E < -D 35 0B 54 -3,-0.6 -16,-0.3 -16,-0.2 3,-0.1 -0.704 29.4-178.6 -85.8 132.5 60.7 14.8 90.5 52 53 A I E - 0 0 25 -18,-2.9 2,-0.3 -2,-0.4 -17,-0.1 0.443 62.8 -39.9-110.0 -5.7 58.2 12.0 89.5 53 54 A G E -D 34 0B 14 -19,-0.8 -19,-2.9 32,-0.1 2,-0.3 -0.950 58.7 -93.1 166.2 179.8 55.6 14.2 87.8 54 55 A N E +D 33 0B 93 -2,-0.3 2,-0.3 -21,-0.3 -21,-0.2 -0.940 32.4 175.8-123.5 142.9 53.7 17.5 87.8 55 56 A A - 0 0 13 -23,-2.1 22,-0.2 -2,-0.3 3,-0.1 -0.938 44.0 -73.0-138.1 164.7 50.3 18.4 89.3 56 57 A K > - 0 0 19 20,-2.3 3,-2.2 -2,-0.3 20,-0.2 -0.271 66.1 -91.1 -54.3 142.0 48.1 21.5 89.7 57 58 A L T 3 S+ 0 0 40 1,-0.3 -1,-0.1 -26,-0.1 -27,-0.1 -0.417 116.0 20.4 -58.2 131.1 49.5 23.8 92.3 58 59 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.543 91.0 160.8 85.5 4.5 48.0 22.9 95.6 59 60 A S < - 0 0 2 -3,-2.2 -46,-0.5 17,-0.1 -1,-0.2 -0.215 46.1-105.9 -54.0 148.8 47.0 19.4 94.5 60 61 A P - 0 0 9 0, 0.0 16,-0.4 0, 0.0 2,-0.4 -0.384 32.9-150.5 -62.4 154.0 46.2 16.7 96.9 61 62 A V + 0 0 14 -47,-0.2 -47,-0.4 50,-0.2 2,-0.3 -0.976 22.0 167.4-135.0 116.8 48.9 14.1 97.1 62 63 A A E +F 74 0C 9 12,-2.4 12,-3.1 -2,-0.4 2,-0.3 -0.904 6.1 179.6-127.0 152.3 48.1 10.5 97.9 63 64 A A E +F 73 0C 19 -2,-0.3 -47,-0.3 10,-0.2 2,-0.3 -0.990 9.9 175.8-156.5 149.2 50.1 7.3 97.7 64 65 A T E -F 72 0C 20 8,-2.0 8,-2.6 -2,-0.3 2,-0.3 -0.949 11.7-175.6-146.7 159.4 49.9 3.5 98.4 65 66 A S E -F 71 0C 24 -2,-0.3 2,-0.6 6,-0.2 50,-0.3 -0.982 35.9-126.2-152.3 162.5 52.3 0.6 97.8 66 67 A K E >> S-F 70 0C 44 4,-2.4 3,-1.9 -2,-0.3 4,-1.4 -0.967 87.5 -61.7-109.2 100.7 52.9 -3.1 97.9 67 68 A E T 34 S- 0 0 113 -2,-0.6 -49,-0.2 1,-0.3 -1,-0.1 -0.306 96.8 -52.2 46.4-131.0 56.0 -2.9 99.9 68 69 A L T 34 S+ 0 0 29 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.147 126.1 88.4-115.4 19.9 58.4 -0.9 97.7 69 70 A K T <4 S+ 0 0 123 -3,-1.9 20,-2.4 1,-0.3 2,-0.4 0.816 100.0 21.0 -80.1 -35.7 57.9 -3.2 94.7 70 71 A H E < S+FG 66 88C 26 -4,-1.4 -4,-2.4 18,-0.2 2,-0.4 -0.989 71.3 177.9-137.2 124.2 54.8 -1.2 93.4 71 72 A I E -FG 65 87C 4 16,-2.5 16,-2.8 -2,-0.4 2,-0.4 -0.979 6.6-169.5-128.6 139.7 54.2 2.4 94.3 72 73 A R E -FG 64 86C 17 -8,-2.6 -8,-2.0 -2,-0.4 2,-0.4 -0.998 1.8-167.4-131.9 129.0 51.3 4.5 93.1 73 74 A V E -FG 63 85C 0 12,-2.5 12,-2.7 -2,-0.4 2,-0.4 -0.970 8.4-158.3-125.3 127.4 51.1 8.3 93.7 74 75 A Y E +FG 62 84C 1 -12,-3.1 -12,-2.4 -2,-0.4 2,-0.3 -0.890 22.8 145.6-118.2 131.0 47.8 10.2 93.0 75 76 A T E - G 0 83C 0 8,-1.4 8,-2.3 -2,-0.4 2,-0.4 -0.837 43.7 -93.2-146.6 179.0 47.3 13.9 92.3 76 77 A L E - G 0 82C 0 -16,-0.4 -20,-2.3 -2,-0.3 6,-0.2 -0.873 28.8-134.9-104.0 141.6 45.1 16.2 90.2 77 78 A T > - 0 0 30 4,-2.3 3,-2.1 -2,-0.4 -22,-0.1 -0.309 36.6 -99.1 -77.4 165.5 45.8 17.6 86.8 78 79 A E T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -23,-0.0 0.827 127.9 57.9 -50.8 -31.8 45.2 21.2 85.9 79 80 A G T 3 S- 0 0 43 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.314 119.2-112.2 -81.4 5.0 42.0 19.9 84.4 80 81 A N S < S+ 0 0 11 -3,-2.1 25,-2.7 1,-0.2 2,-0.3 0.861 72.4 135.2 60.1 38.7 40.9 18.5 87.7 81 82 A T B -I 104 0D 4 23,-0.2 -4,-2.3 26,-0.0 -1,-0.2 -0.860 61.5-103.6-106.5 151.3 41.1 14.9 86.6 82 83 A L E -G 76 0C 1 21,-1.7 21,-0.3 -2,-0.3 2,-0.3 -0.477 43.5-177.6 -67.2 137.5 42.7 12.1 88.7 83 84 A Q E -G 75 0C 22 -8,-2.3 -8,-1.4 -2,-0.2 2,-0.3 -0.918 12.7-149.0-137.9 169.2 46.1 11.1 87.6 84 85 A E E -G 74 0C 7 12,-0.4 12,-2.4 -2,-0.3 2,-0.5 -0.998 8.2-159.1-143.6 128.9 48.7 8.5 88.7 85 86 A F E -GH 73 95C 9 -12,-2.7 -12,-2.5 -2,-0.3 2,-0.4 -0.947 27.5-159.4-108.2 128.9 52.5 8.2 88.8 86 87 A A E -GH 72 94C 0 8,-2.9 8,-2.4 -2,-0.5 2,-0.4 -0.911 16.8-170.4-121.3 138.3 53.5 4.6 88.9 87 88 A Y E +GH 71 93C 64 -16,-2.8 -16,-2.5 -2,-0.4 2,-0.4 -0.995 8.3 175.0-125.4 126.4 56.7 2.8 90.0 88 89 A D E >> -GH 70 92C 22 4,-1.6 4,-2.6 -2,-0.4 3,-2.2 -0.999 40.1-105.5-123.0 134.5 57.3 -0.9 89.5 89 90 A S T 34 S+ 0 0 64 -20,-2.4 -20,-0.1 -2,-0.4 -2,-0.0 -0.295 109.6 24.4 -48.9 136.0 60.5 -2.7 90.3 90 91 A G T 34 S+ 0 0 86 1,-0.1 -1,-0.3 0, 0.0 -21,-0.0 0.428 126.2 51.1 83.0 -3.6 62.4 -3.4 87.0 91 92 A T T <4 S- 0 0 100 -3,-2.2 2,-0.3 1,-0.1 -2,-0.2 0.554 86.2-153.5-118.1 -48.3 60.6 -0.6 85.2 92 93 A G E < -H 88 0C 19 -4,-2.6 -4,-1.6 2,-0.0 2,-0.3 -0.727 49.4 -15.2 97.5-154.8 61.0 2.5 87.2 93 94 A W E +H 87 0C 81 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.633 65.7 156.9 -90.2 141.9 58.5 5.4 87.1 94 95 A Y E -H 86 0C 91 -8,-2.4 -8,-2.9 -2,-0.3 2,-0.6 -0.964 50.6 -83.7-152.4 166.9 55.9 5.9 84.4 95 96 A N E -H 85 0C 113 -2,-0.3 -10,-0.2 -10,-0.2 -42,-0.0 -0.650 52.0-136.3 -76.2 114.9 52.7 7.6 83.8 96 97 A G > - 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