==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 31-JAN-12 4AGT . 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 . 628 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 59.9 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 . 265 42.2 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 . 19 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 27 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 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 . 4 3 6 3 9 13 4 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 8 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 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 56 0, 0.0 289,-0.1 0, 0.0 288,-0.1 0.000 360.0 360.0 360.0-167.6 -17.7 0.5 -19.4 2 3 A T > - 0 0 27 287,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.962 360.0-112.7-142.3 156.1 -18.7 3.9 -18.0 3 4 A P H > S+ 0 0 97 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.888 120.2 50.1 -55.2 -42.6 -17.5 7.4 -18.4 4 5 A G H >4 S+ 0 0 11 2,-0.2 3,-1.6 1,-0.2 4,-0.3 0.941 109.5 48.6 -56.7 -53.7 -16.4 7.4 -14.8 5 6 A A H >4 S+ 0 0 0 1,-0.3 3,-1.8 308,-0.2 -1,-0.2 0.899 104.5 61.8 -58.5 -36.4 -14.5 4.1 -15.1 6 7 A Q H 3< S+ 0 0 28 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.680 94.4 63.4 -64.3 -17.2 -12.8 5.4 -18.3 7 8 A Q T << S+ 0 0 40 -3,-1.6 23,-2.1 -4,-0.5 2,-0.5 0.577 83.0 93.9 -81.6 -14.0 -11.2 8.2 -16.2 8 9 A V B < S-A 29 0A 3 -3,-1.8 21,-0.2 -4,-0.3 2,-0.2 -0.726 84.8-116.6 -85.3 124.8 -9.2 5.7 -14.1 9 10 A L > - 0 0 36 19,-2.1 3,-1.9 -2,-0.5 2,-0.2 -0.411 29.0-113.2 -62.9 133.9 -5.7 5.1 -15.5 10 11 A F T 3 S+ 0 0 27 1,-0.3 -1,-0.1 -2,-0.2 281,-0.1 -0.514 105.1 9.3 -69.3 129.3 -5.1 1.5 -16.7 11 12 A R T 3 S+ 0 0 54 -2,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.761 96.4 178.7 60.9 30.4 -2.6 -0.1 -14.2 12 13 A T < - 0 0 0 -3,-1.9 252,-0.4 16,-0.1 -1,-0.2 -0.223 36.5-103.2 -53.1 141.7 -2.9 3.0 -12.0 13 14 A G - 0 0 6 46,-0.5 15,-0.6 250,-0.1 2,-0.3 -0.462 44.5-159.1 -53.8 142.7 -0.9 3.1 -8.7 14 15 A I E +B 27 0B 10 47,-0.3 2,-0.3 251,-0.2 251,-0.2 -0.999 19.4 164.9-133.7 140.9 -3.3 2.3 -5.9 15 16 A A E -B 26 0B 7 11,-1.7 11,-3.1 -2,-0.3 2,-0.3 -0.942 10.4-168.3-143.8 163.4 -3.1 3.1 -2.1 16 17 A A E -B 25 0B 13 -2,-0.3 2,-0.3 47,-0.3 9,-0.2 -0.986 5.5-172.9-152.5 152.9 -5.7 3.1 0.8 17 18 A V E +B 24 0B 3 7,-2.0 7,-2.6 -2,-0.3 2,-0.3 -0.903 13.5 173.3-141.8 164.8 -6.0 4.2 4.4 18 19 A N E -B 23 0B 25 -2,-0.3 2,-0.4 5,-0.2 49,-0.2 -0.995 36.7-139.8-161.5 162.4 -8.6 3.7 7.0 19 20 A S E > S-B 22 0B 27 3,-2.1 3,-2.3 -2,-0.3 251,-0.1 -0.924 83.3 -59.4-130.5 111.3 -9.9 4.0 10.6 20 21 A T T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 259,-0.0 -0.323 125.3 -10.6 41.9-121.3 -11.6 0.7 11.2 21 22 A N T 3 S+ 0 0 84 -3,-0.1 2,-0.6 2,-0.1 20,-0.4 0.157 111.1 103.4 -91.7 18.3 -14.3 0.6 8.5 22 23 A H E < -B 19 0B 69 -3,-2.3 -3,-2.1 18,-0.1 2,-0.3 -0.914 60.4-169.0-100.8 115.3 -13.9 4.2 7.4 23 24 A L E -BC 18 39B 4 16,-1.7 16,-2.5 -2,-0.6 2,-0.3 -0.769 26.1-173.9-122.4 145.3 -12.0 3.9 4.1 24 25 A R E -BC 17 38B 33 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.4 -0.996 10.2-165.6-130.9 141.4 -10.1 6.1 1.6 25 26 A V E -BC 16 37B 1 12,-2.7 12,-2.5 -2,-0.3 2,-0.4 -0.991 4.4-156.6-130.6 130.2 -8.7 4.9 -1.7 26 27 A Y E +BC 15 36B 0 -11,-3.1 -11,-1.7 -2,-0.4 2,-0.3 -0.855 21.7 152.2-110.2 143.7 -6.2 6.8 -3.9 27 28 A F E -BC 14 35B 5 8,-1.5 8,-2.7 -2,-0.4 2,-0.4 -0.962 39.3-106.2-157.9 166.7 -5.6 6.4 -7.6 28 29 A Q E - C 0 34B 0 -15,-0.6 -19,-2.1 -2,-0.3 6,-0.2 -0.853 27.1-140.7-104.1 137.2 -4.4 8.3 -10.7 29 30 A D B > -A 8 0A 4 4,-3.3 3,-2.3 -2,-0.4 -21,-0.2 -0.424 35.7 -96.6 -87.0 169.4 -6.7 9.5 -13.4 30 31 A V T 3 S+ 0 0 9 -23,-2.1 -22,-0.1 1,-0.3 -1,-0.1 0.637 125.4 55.3 -62.7 -16.0 -5.9 9.3 -17.1 31 32 A Y T 3 S- 0 0 146 -24,-0.3 -1,-0.3 2,-0.1 26,-0.1 0.340 122.8-104.2 -94.7 -0.1 -4.7 13.0 -17.0 32 33 A G S < S+ 0 0 2 -3,-2.3 23,-2.1 1,-0.3 2,-0.2 0.420 74.8 138.1 92.4 -1.9 -2.3 12.2 -14.2 33 34 A S E - D 0 54B 17 21,-0.2 -4,-3.3 -5,-0.1 2,-0.5 -0.563 51.4-129.8 -73.6 143.6 -4.3 13.7 -11.3 34 35 A I E -CD 28 53B 0 19,-2.4 18,-3.0 -6,-0.2 19,-0.9 -0.821 31.5-171.8 -94.4 125.7 -4.4 11.8 -8.0 35 36 A R E -CD 27 51B 4 -8,-2.7 -8,-1.5 -2,-0.5 2,-0.5 -0.834 16.7-133.2-121.0 159.0 -8.0 11.4 -6.7 36 37 A E E -C 26 0B 22 14,-1.9 10,-2.1 -2,-0.3 2,-0.3 -0.958 13.0-171.0-118.6 124.6 -9.7 10.2 -3.5 37 38 A S E -CE 25 45B 1 -12,-2.5 -12,-2.7 -2,-0.5 2,-0.3 -0.804 18.3-159.6-100.6 155.5 -12.6 7.8 -3.3 38 39 A L E -CE 24 44B 31 6,-2.0 6,-2.5 -2,-0.3 2,-0.5 -0.976 19.8-153.3-143.9 146.4 -14.2 7.3 0.1 39 40 A Y E +CE 23 43B 68 -16,-2.5 -16,-1.7 -2,-0.3 2,-0.3 -0.971 26.2 153.3-121.6 112.6 -16.4 4.9 2.1 40 41 A E S S- 0 0 77 2,-2.2 -18,-0.1 -2,-0.5 2,-0.1 -0.794 94.5 -40.5-133.4 89.4 -18.5 6.3 5.0 41 42 A G S S+ 0 0 64 -20,-0.4 2,-0.3 -2,-0.3 -2,-0.0 0.040 141.4 20.8 72.4 -28.6 -21.4 3.9 5.2 42 43 A S S S- 0 0 77 -2,-0.1 -2,-2.2 -4,-0.0 2,-0.3 -0.952 94.5 -86.5-155.9 171.0 -21.3 3.9 1.4 43 44 A W E +E 39 0B 30 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.674 51.0 150.8 -89.0 140.1 -19.0 4.7 -1.5 44 45 A A E +E 38 0B 36 -6,-2.5 -6,-2.0 -2,-0.3 2,-0.0 -0.905 31.9 27.1-150.3 176.4 -18.6 8.2 -3.0 45 46 A N E +E 37 0B 59 -2,-0.3 -8,-0.2 -8,-0.2 3,-0.1 -0.270 36.6 137.7 72.3-144.0 -16.3 10.6 -4.7 46 47 A G + 0 0 0 -10,-2.1 -9,-0.2 1,-0.2 -1,-0.1 0.624 53.1 126.1 73.4 13.3 -13.4 9.7 -7.0 47 48 A T S > S- 0 0 44 -11,-0.3 3,-2.1 1,-0.0 -11,-0.2 -0.301 83.5 -89.6 -96.2 179.2 -14.5 12.6 -9.4 48 49 A E G > S+ 0 0 123 1,-0.3 3,-0.7 2,-0.1 -1,-0.0 0.713 126.7 62.8 -60.9 -23.1 -12.7 15.6 -10.9 49 50 A K G 3 S+ 0 0 191 1,-0.2 -1,-0.3 -14,-0.0 -3,-0.0 0.436 95.5 61.7 -80.2 0.1 -13.8 17.5 -7.8 50 51 A N G < + 0 0 34 -3,-2.1 -14,-1.9 -5,-0.0 2,-0.4 -0.089 69.6 136.9-121.0 33.4 -11.8 15.1 -5.6 51 52 A V E < -D 35 0B 56 -3,-0.7 -16,-0.3 -16,-0.2 3,-0.1 -0.666 28.1-178.9 -80.0 129.1 -8.3 15.8 -6.9 52 53 A I E - 0 0 26 -18,-3.0 2,-0.3 -2,-0.4 -17,-0.1 0.587 61.9 -47.7-104.9 -12.4 -5.6 16.1 -4.2 53 54 A G E -D 34 0B 12 -19,-0.9 -19,-2.4 32,-0.1 2,-0.3 -0.973 58.6 -87.1 167.5-172.0 -2.6 16.9 -6.6 54 55 A N E +D 33 0B 98 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.962 31.9 177.2-132.2 145.5 -0.8 15.8 -9.8 55 56 A A - 0 0 11 -23,-2.1 22,-0.2 -2,-0.3 3,-0.1 -0.917 44.4 -74.8-140.2 161.2 2.0 13.3 -10.4 56 57 A K > - 0 0 17 20,-2.2 3,-2.0 -2,-0.3 20,-0.2 -0.302 65.1 -93.1 -53.8 143.1 3.9 12.0 -13.5 57 58 A L T 3 S+ 0 0 37 1,-0.3 -1,-0.1 -26,-0.1 -27,-0.1 -0.459 115.8 22.8 -62.8 133.2 1.7 9.7 -15.5 58 59 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.407 91.8 158.3 87.9 -0.0 2.3 6.0 -14.3 59 60 A S < - 0 0 1 -3,-2.0 -46,-0.5 17,-0.1 -1,-0.2 -0.144 46.8-107.9 -52.1 142.3 3.6 7.3 -10.9 60 61 A P - 0 0 26 0, 0.0 16,-0.5 0, 0.0 2,-0.4 -0.401 31.4-150.9 -62.1 157.9 3.6 5.0 -7.9 61 62 A V + 0 0 12 -47,-0.2 -47,-0.3 50,-0.2 2,-0.3 -0.963 20.7 169.1-138.7 114.7 1.0 5.9 -5.3 62 63 A A E -F 74 0C 10 12,-2.3 12,-3.0 -2,-0.4 2,-0.3 -0.915 6.4-177.2-125.3 149.7 1.6 5.2 -1.6 63 64 A A E +F 73 0C 18 -2,-0.3 2,-0.3 10,-0.2 -47,-0.3 -0.996 6.9 177.7-147.2 146.4 -0.4 6.3 1.4 64 65 A T E -F 72 0C 20 8,-2.3 8,-2.8 -2,-0.3 2,-0.3 -0.969 10.9-176.4-144.7 160.6 -0.2 6.0 5.2 65 66 A S E -F 71 0C 26 -2,-0.3 2,-0.5 6,-0.2 50,-0.3 -0.962 36.6-129.9-149.3 163.9 -2.3 7.4 8.1 66 67 A K E >> S-F 70 0C 41 4,-2.4 3,-2.0 -2,-0.3 4,-1.4 -0.949 86.8 -63.4-113.8 101.4 -3.0 7.9 11.7 67 68 A E T 34 S- 0 0 117 -2,-0.5 -49,-0.2 1,-0.3 -1,-0.1 -0.330 96.4 -52.7 46.1-132.8 -6.7 6.8 11.7 68 69 A L T 34 S+ 0 0 29 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.105 125.5 88.9-113.0 24.3 -8.2 9.5 9.5 69 70 A K T <4 S+ 0 0 126 -3,-2.0 20,-2.2 1,-0.3 2,-0.4 0.899 100.4 20.5 -77.3 -45.0 -6.8 12.4 11.5 70 71 A H E < S+FG 66 88C 26 -4,-1.4 -4,-2.4 18,-0.2 2,-0.4 -0.996 70.9 176.1-131.8 124.7 -3.5 12.6 9.5 71 72 A I E -FG 65 87C 4 16,-2.1 16,-2.7 -2,-0.4 2,-0.4 -0.996 7.6-168.0-129.0 136.2 -3.1 11.1 6.0 72 73 A R E -FG 64 86C 18 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.4 -0.998 1.1-166.9-127.2 130.2 -0.0 11.3 3.8 73 74 A V E -FG 63 85C 0 12,-2.9 12,-2.4 -2,-0.4 2,-0.4 -0.959 7.3-160.8-117.7 125.8 0.1 10.4 0.0 74 75 A Y E +FG 62 84C 1 -12,-3.0 -12,-2.3 -2,-0.4 2,-0.3 -0.897 21.1 148.8-116.8 132.6 3.4 10.0 -1.8 75 76 A T E - 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0 0 14 -12,-1.5 3,-0.7 -2,-0.7 -12,-0.4 -0.200 25.0-101.0 -71.8 172.6 3.6 18.6 2.7 97 98 A G G >> S+ 0 0 50 1,-0.2 3,-1.1 2,-0.1 4,-0.7 0.505 95.2 94.9 -75.8 -7.3 7.3 19.5 3.0 98 99 A L G >4 S+ 0 0 0 1,-0.2 3,-1.5 2,-0.2 4,-0.5 0.893 79.6 63.0 -54.2 -40.1 8.9 16.4 1.4 99 100 A G G X4 S+ 0 0 22 -3,-0.7 3,-1.8 1,-0.3 -1,-0.2 0.854 93.3 63.3 -48.6 -42.2 9.0 18.2 -2.0 100 101 A G G <4 S+ 0 0 63 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.711 94.4 59.7 -59.8 -28.0 11.4 20.8 -0.5 101 102 A A G << S- 0 0 40 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.644 94.4-147.7 -74.5 -17.0 14.1 18.2 0.1 102 103 A K < - 0 0 140 -3,-1.8 2,-0.7 -4,-0.5 -3,-0.1 0.907 17.4-166.8 50.8 49.9 14.1 17.4 -3.6 103 104 A F - 0 0 21 -5,-0.5 -21,-1.7 -21,-0.3 2,-0.4 -0.619 8.9-147.2 -74.4 116.1 15.0 13.8 -3.0 104 105 A Q B +I 81 0D 113 -2,-0.7 2,-0.3 -23,-0.2 -23,-0.2 -0.678 23.6 174.7 -90.0 125.8 16.0 12.5 -6.4 105 106 A V - 0 0 3 -25,-2.5 25,-0.3 -2,-0.4 4,-0.0 -0.851 40.3 -71.4-127.8 168.3 15.1 8.8 -7.2 106 107 A A > - 0 0 0 23,-2.4 3,-2.0 -2,-0.3 23,-0.2 -0.261 43.5-122.1 -54.3 142.3 15.2 6.3 -10.1 107 108 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.810 114.9 45.6 -54.8 -31.3 12.7 7.1 -12.8 108 109 A Y T 3 S+ 0 0 28 213,-0.1 -2,-0.1 -49,-0.1 -28,-0.0 0.194 87.1 133.0 -98.3 12.4 11.3 3.6 -12.3 109 110 A S < - 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