==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 03-FEB-12 4AH4 . 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) . 23336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 61.1 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 . 267 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 . 20 3.2 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 . 29 4.6 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 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 . 4 2 6 4 7 16 3 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 52 0, 0.0 289,-0.1 0, 0.0 288,-0.1 0.000 360.0 360.0 360.0-166.7 -9.8 15.8 19.6 2 3 A T > - 0 0 29 287,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.960 360.0-112.5-141.1 155.5 -13.2 15.9 17.7 3 4 A P T 4 S+ 0 0 97 0, 0.0 4,-0.5 0, 0.0 311,-0.1 0.876 121.3 54.3 -56.1 -36.2 -16.1 13.5 17.6 4 5 A G T >4 S+ 0 0 12 309,-0.2 3,-1.6 2,-0.2 4,-0.3 0.960 109.4 43.3 -55.0 -59.1 -15.0 12.9 14.0 5 6 A A G >4 S+ 0 0 0 1,-0.3 3,-1.9 308,-0.2 -1,-0.2 0.869 105.1 64.3 -61.7 -34.6 -11.4 12.1 14.8 6 7 A Q G 3< S+ 0 0 29 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.688 93.4 63.6 -62.9 -18.3 -12.4 9.9 17.7 7 8 A Q G < S+ 0 0 59 -3,-1.6 23,-2.1 -4,-0.5 2,-0.4 0.644 83.7 91.3 -77.2 -18.2 -14.2 7.6 15.2 8 9 A V B < S-A 29 0A 2 -3,-1.9 21,-0.2 -4,-0.3 2,-0.1 -0.672 85.8-116.2 -83.3 128.3 -10.9 6.7 13.5 9 10 A L > - 0 0 35 19,-2.4 3,-1.8 -2,-0.4 2,-0.3 -0.391 28.6-113.5 -67.8 134.1 -9.2 3.6 15.0 10 11 A F T 3 S+ 0 0 26 1,-0.3 -1,-0.1 -4,-0.1 281,-0.1 -0.546 105.3 10.8 -63.9 124.9 -5.8 4.3 16.6 11 12 A R T 3 S+ 0 0 55 -2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.726 95.9 176.6 65.6 27.5 -3.2 2.6 14.3 12 13 A T < - 0 0 0 -3,-1.8 252,-0.4 16,-0.1 -1,-0.2 -0.220 38.7-101.4 -49.6 138.7 -5.8 1.9 11.7 13 14 A G - 0 0 7 46,-0.6 15,-0.6 251,-0.1 2,-0.4 -0.457 44.1-155.5 -48.3 136.5 -4.8 0.3 8.5 14 15 A I E +B 27 0B 9 47,-0.3 2,-0.3 251,-0.2 13,-0.2 -0.997 18.6 169.4-128.4 132.6 -4.6 3.0 5.8 15 16 A A E -B 26 0B 6 11,-2.0 11,-3.0 -2,-0.4 2,-0.3 -0.961 7.9-169.8-133.8 158.3 -4.9 2.7 2.0 16 17 A A E -B 25 0B 11 -2,-0.3 2,-0.3 47,-0.3 9,-0.2 -0.998 6.8-179.0-148.1 148.2 -5.2 5.2 -0.9 17 18 A V E +B 24 0B 4 7,-2.4 7,-2.5 -2,-0.3 2,-0.3 -0.931 12.8 175.1-138.7 162.5 -6.0 5.3 -4.6 18 19 A N E -B 23 0B 23 -2,-0.3 2,-0.4 5,-0.2 49,-0.2 -0.995 37.3-143.5-157.8 162.8 -6.1 8.1 -7.1 19 20 A S E > S-B 22 0B 30 3,-2.1 3,-2.7 -2,-0.3 251,-0.1 -0.951 84.2 -61.9-127.8 110.6 -6.5 9.4 -10.6 20 21 A T T 3 S- 0 0 69 -2,-0.4 -1,-0.2 1,-0.3 47,-0.0 -0.199 123.5 -9.8 36.6-122.7 -4.0 12.3 -10.6 21 22 A N T 3 S+ 0 0 84 -3,-0.1 2,-0.7 2,-0.1 20,-0.4 0.180 110.4 102.5 -90.3 20.9 -5.4 14.7 -7.9 22 23 A H E < -B 19 0B 69 -3,-2.7 -3,-2.1 18,-0.1 2,-0.3 -0.927 62.7-168.6 -99.5 111.1 -8.7 12.9 -7.4 23 24 A L E -BC 18 39B 4 16,-2.2 16,-2.4 -2,-0.7 2,-0.4 -0.812 26.1-174.2-116.4 144.0 -8.1 11.0 -4.2 24 25 A R E -BC 17 38B 35 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.4 -0.998 9.1-169.3-132.0 136.2 -9.7 8.3 -2.1 25 26 A V E -BC 16 37B 1 12,-2.5 12,-3.2 -2,-0.4 2,-0.3 -0.997 5.4-157.5-128.7 131.0 -8.4 7.2 1.3 26 27 A Y E +BC 15 36B 0 -11,-3.0 -11,-2.0 -2,-0.4 2,-0.3 -0.838 20.4 155.4-110.5 139.7 -9.6 4.1 3.2 27 28 A F E -BC 14 35B 3 8,-1.7 8,-2.6 -2,-0.3 2,-0.4 -0.943 38.6-106.0-153.0 167.5 -9.3 3.5 7.0 28 29 A Q E - C 0 34B 0 -15,-0.6 -19,-2.4 -2,-0.3 6,-0.2 -0.883 27.8-143.3-104.0 135.3 -11.0 1.5 9.7 29 30 A D B > -A 8 0A 3 4,-2.8 3,-2.2 -2,-0.4 -21,-0.2 -0.410 36.1 -94.7 -86.3 172.2 -13.3 3.1 12.3 30 31 A V T 3 S+ 0 0 10 -23,-2.1 -22,-0.1 1,-0.3 -1,-0.1 0.681 124.7 55.4 -66.1 -17.4 -13.5 2.1 16.0 31 32 A Y T 3 S- 0 0 142 -24,-0.3 -1,-0.3 2,-0.1 26,-0.1 0.405 121.4-103.5 -91.9 0.8 -16.4 -0.3 15.2 32 33 A G S < S+ 0 0 2 -3,-2.2 23,-2.0 1,-0.3 2,-0.1 0.385 75.9 137.2 95.2 -4.5 -14.4 -2.2 12.6 33 34 A S E - D 0 54B 18 21,-0.2 -4,-2.8 -5,-0.1 2,-0.5 -0.499 53.1-127.1 -78.2 144.7 -16.1 -0.7 9.5 34 35 A I E -CD 28 53B 0 19,-3.3 18,-2.8 -6,-0.2 19,-0.9 -0.843 31.5-171.0 -92.9 129.3 -14.1 0.4 6.5 35 36 A R E -CD 27 51B 6 -8,-2.6 -8,-1.7 -2,-0.5 2,-0.5 -0.820 14.5-139.7-120.7 156.3 -14.7 4.0 5.5 36 37 A E E -C 26 0B 22 14,-1.5 10,-2.2 -2,-0.3 2,-0.3 -0.978 10.2-167.7-122.1 126.5 -13.7 6.2 2.5 37 38 A S E -CE 25 45B 1 -12,-3.2 -12,-2.5 -2,-0.5 2,-0.3 -0.795 17.1-152.7-102.9 156.4 -12.7 9.8 2.6 38 39 A L E -CE 24 44B 30 6,-2.5 6,-2.4 -2,-0.3 2,-0.4 -0.938 19.1-158.7-136.7 145.2 -12.5 11.7 -0.7 39 40 A Y E +CE 23 43B 69 -16,-2.4 -16,-2.2 -2,-0.3 2,-0.3 -0.947 26.4 151.7-123.7 112.1 -10.6 14.6 -2.3 40 41 A E S S- 0 0 74 2,-2.0 -18,-0.1 -2,-0.4 -2,-0.0 -0.768 94.3 -41.2-133.1 80.6 -12.4 16.2 -5.3 41 42 A G S S+ 0 0 64 -20,-0.4 2,-0.3 -2,-0.3 -19,-0.1 0.152 141.8 22.1 76.1 -20.8 -11.1 19.8 -5.1 42 43 A S S S- 0 0 78 2,-0.0 -2,-2.0 -4,-0.0 2,-0.2 -0.936 96.2 -87.8-164.2 161.1 -11.6 19.7 -1.3 43 44 A W E +E 39 0B 29 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.586 51.0 155.8 -79.6 141.0 -11.8 16.9 1.4 44 45 A A E +E 38 0B 37 -6,-2.4 -6,-2.5 -2,-0.2 2,-0.2 -0.952 31.3 22.3-151.2 169.2 -15.1 15.2 2.3 45 46 A N E +E 37 0B 60 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.458 35.4 140.9 79.2-142.2 -16.8 12.1 3.7 46 47 A G + 0 0 0 -10,-2.2 -9,-0.2 -2,-0.2 -1,-0.1 0.670 52.9 129.2 69.3 16.7 -15.2 9.5 6.0 47 48 A T S > S- 0 0 54 -11,-0.3 3,-2.1 1,-0.1 -11,-0.2 -0.304 81.8 -89.2 -98.9-176.9 -18.5 9.3 7.9 48 49 A E G > S+ 0 0 141 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.774 128.2 57.8 -59.8 -25.7 -20.8 6.5 9.1 49 50 A K G 3 S+ 0 0 166 1,-0.2 -1,-0.3 -4,-0.0 -3,-0.0 0.574 94.1 64.6 -79.2 -12.2 -22.4 6.9 5.7 50 51 A N G < S+ 0 0 33 -3,-2.1 -14,-1.5 -5,-0.0 2,-0.4 -0.072 71.2 137.6-105.8 34.6 -19.2 6.3 3.7 51 52 A V E < +D 35 0B 55 -3,-0.6 -16,-0.2 -16,-0.2 3,-0.1 -0.649 28.6 179.3 -81.6 130.6 -18.9 2.7 5.0 52 53 A I E - 0 0 24 -18,-2.8 2,-0.3 1,-0.4 -17,-0.1 0.448 62.2 -48.5-109.6 -5.6 -17.9 0.2 2.2 53 54 A G E -D 34 0B 16 -19,-0.9 -19,-3.3 32,-0.1 -1,-0.4 -0.931 58.7 -87.5 161.1-175.8 -17.9 -2.9 4.4 54 55 A N E +D 33 0B 96 -2,-0.3 2,-0.3 -21,-0.3 -21,-0.2 -0.900 33.1 175.0-124.8 152.2 -16.6 -4.4 7.7 55 56 A A - 0 0 13 -23,-2.0 22,-0.2 -2,-0.3 3,-0.1 -0.946 43.9 -69.2-145.9 162.1 -13.5 -6.2 8.7 56 57 A K > - 0 0 18 20,-2.1 3,-2.5 -2,-0.3 20,-0.2 -0.245 64.2 -96.4 -48.3 137.4 -11.8 -7.6 11.7 57 58 A L T 3 S+ 0 0 39 1,-0.3 -1,-0.1 -26,-0.1 -27,-0.1 -0.403 114.8 22.5 -62.4 132.3 -10.8 -5.0 14.1 58 59 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.409 92.1 158.7 87.9 1.4 -7.2 -4.2 13.5 59 60 A S < - 0 0 1 -3,-2.5 -46,-0.6 17,-0.1 -1,-0.2 -0.056 46.7-107.4 -52.1 146.7 -7.3 -5.6 10.0 60 61 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 16,-0.4 -0.428 31.9-148.7 -63.4 157.9 -4.8 -4.5 7.3 61 62 A V + 0 0 13 -47,-0.2 2,-0.3 50,-0.2 -47,-0.3 -0.983 22.1 168.9-135.8 118.9 -6.3 -2.2 4.7 62 63 A A E -F 74 0C 9 12,-2.2 12,-3.5 -2,-0.4 2,-0.3 -0.945 5.9-178.8-125.4 149.7 -5.0 -2.3 1.1 63 64 A A E +F 73 0C 18 -2,-0.3 2,-0.3 10,-0.3 -47,-0.3 -0.999 8.5 177.6-151.4 148.8 -6.3 -0.7 -2.0 64 65 A T E -F 72 0C 20 8,-2.2 8,-2.9 -2,-0.3 2,-0.3 -0.976 10.9-173.0-144.6 156.2 -5.5 -0.5 -5.7 65 66 A S E -F 71 0C 25 -2,-0.3 2,-0.6 6,-0.2 50,-0.3 -0.963 35.0-132.2-147.0 160.0 -7.2 1.2 -8.7 66 67 A K E >> S-F 70 0C 44 4,-2.4 3,-1.9 -2,-0.3 4,-1.4 -0.942 87.1 -64.1-108.5 98.4 -7.4 1.7 -12.4 67 68 A E T 34 S- 0 0 113 -2,-0.6 -1,-0.2 1,-0.3 -49,-0.2 -0.275 96.2 -52.0 45.0-132.8 -7.7 5.5 -12.2 68 69 A L T 34 S+ 0 0 29 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.153 126.4 87.9-114.8 25.4 -11.1 5.9 -10.3 69 70 A K T <4 S+ 0 0 127 -3,-1.9 20,-2.4 1,-0.3 2,-0.4 0.814 99.3 24.1 -78.5 -38.0 -13.0 3.7 -12.7 70 71 A H E < S+FG 66 88C 27 -4,-1.4 -4,-2.4 18,-0.2 2,-0.4 -0.975 71.1 178.7-136.3 120.1 -12.2 0.5 -10.8 71 72 A I E -FG 65 87C 4 16,-2.7 16,-2.7 -2,-0.4 2,-0.4 -0.971 5.8-171.2-125.0 139.2 -11.3 0.4 -7.2 72 73 A R E -FG 64 86C 18 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.4 -0.998 2.6-166.7-132.9 128.2 -10.5 -2.6 -5.0 73 74 A V E -FG 63 85C 0 12,-2.7 12,-2.5 -2,-0.4 2,-0.4 -0.968 8.6-158.1-119.1 125.9 -10.1 -2.6 -1.2 74 75 A Y E +FG 62 84C 0 -12,-3.5 -12,-2.2 -2,-0.4 2,-0.2 -0.874 23.5 142.4-113.3 137.4 -8.6 -5.6 0.6 75 76 A T E - G 0 83C 0 8,-1.5 8,-1.9 -2,-0.4 2,-0.4 -0.835 44.2 -93.7-153.4 176.7 -9.0 -6.5 4.3 76 77 A L E - G 0 82C 0 -16,-0.4 -20,-2.1 -2,-0.2 6,-0.2 -0.884 28.8-135.2-104.0 141.4 -9.4 -9.6 6.6 77 78 A T > - 0 0 30 4,-2.3 3,-1.9 -2,-0.4 -22,-0.1 -0.347 37.4 -98.1 -74.7 170.3 -12.6 -11.2 7.8 78 79 A E T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.1 -23,-0.0 0.821 127.5 57.8 -56.6 -31.0 -13.1 -12.2 11.4 79 80 A G T 3 S- 0 0 45 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.362 119.8-110.3 -81.9 4.0 -12.2 -15.7 10.2 80 81 A N S < S+ 0 0 13 -3,-1.9 25,-2.6 1,-0.3 2,-0.3 0.867 72.9 136.8 65.5 36.5 -8.8 -14.6 8.8 81 82 A T B -I 104 0D 9 23,-0.2 -4,-2.3 26,-0.0 -1,-0.3 -0.866 60.2-105.0-105.6 149.6 -9.8 -15.0 5.2 82 83 A L E -G 76 0C 0 21,-1.8 2,-0.3 -2,-0.3 21,-0.3 -0.423 44.0-178.9 -67.3 138.5 -9.0 -12.4 2.5 83 84 A Q E -G 75 0C 19 -8,-1.9 -8,-1.5 -2,-0.1 2,-0.3 -0.941 13.5-147.7-140.4 168.0 -11.9 -10.3 1.3 84 85 A E E -G 74 0C 8 12,-0.4 12,-2.7 -2,-0.3 2,-0.5 -0.999 8.5-158.8-144.7 129.7 -12.5 -7.6 -1.2 85 86 A F E -GH 73 95C 5 -12,-2.5 -12,-2.7 -2,-0.3 2,-0.4 -0.962 27.3-159.2-107.8 126.0 -14.8 -4.5 -1.5 86 87 A A E -GH 72 94C 0 8,-3.4 8,-2.7 -2,-0.5 2,-0.4 -0.889 17.3-173.0-117.1 138.7 -15.2 -3.5 -5.1 87 88 A Y E +GH 71 93C 64 -16,-2.7 -16,-2.7 -2,-0.4 2,-0.4 -0.995 5.7 178.4-122.0 124.5 -16.2 -0.3 -6.9 88 89 A D E >> -GH 70 92C 25 4,-1.5 3,-2.6 -2,-0.4 4,-2.3 -0.997 42.1-102.0-119.9 133.5 -16.8 -0.0 -10.7 89 90 A S T 34 S+ 0 0 61 -20,-2.4 -20,-0.1 -2,-0.4 -2,-0.0 -0.278 112.0 19.2 -43.9 127.8 -17.9 3.2 -12.3 90 91 A G T 34 S+ 0 0 88 1,-0.1 -1,-0.3 0, 0.0 -21,-0.0 0.162 124.8 57.4 91.9 -18.7 -21.7 2.9 -13.0 91 92 A T T <4 S- 0 0 99 -3,-2.6 2,-0.2 1,-0.2 -2,-0.2 0.706 84.8-157.6-108.5 -33.9 -22.2 -0.0 -10.5 92 93 A G E < -H 88 0C 20 -4,-2.3 -4,-1.5 2,-0.0 2,-0.3 -0.580 46.8 -13.0 78.1-154.9 -20.9 1.5 -7.2 93 94 A W E +H 87 0C 81 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.612 64.9 155.2 -92.2 140.5 -19.7 -0.7 -4.3 94 95 A Y E -H 86 0C 90 -8,-2.7 -8,-3.4 -2,-0.3 2,-0.6 -0.963 49.5 -85.8-151.5 170.2 -20.2 -4.4 -3.9 95 96 A N E -H 85 0C 113 -2,-0.3 -10,-0.2 -10,-0.2 -42,-0.0 -0.670 50.7-133.4 -80.0 116.2 -18.7 -7.4 -2.2 96 97 A G > - 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