==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-JUL-11 3ZW1 . COMPND 2 MOLECULE: BAMBL LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA AMBIFARIA; . AUTHOR A.AUDFRAY,J.CLAUDINON,S.ABOUNIT,N.RUVOEN-CLOUET,G.LARSON,M.W . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 62.1 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 . 92 52.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 13 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 0 0 2 0 0 2 6 0 2 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 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 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 1 A X 0 0 180 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 136.5 13.1 -20.7 16.4 2 2 A Q E -A 19 0A 57 17,-2.0 17,-3.1 2,-0.0 2,-0.3 -0.997 360.0-160.5-140.2 138.6 13.2 -18.4 19.5 3 3 A T E -A 18 0A 79 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.862 12.4-162.0-123.3 161.0 10.5 -16.3 21.2 4 4 A A E -A 17 0A 13 13,-2.1 13,-2.8 -2,-0.3 2,-0.4 -0.974 16.4-159.6-131.2 145.1 9.9 -13.3 23.5 5 5 A A E +A 16 0A 73 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 12.9 171.9-133.5 136.3 6.7 -12.6 25.3 6 6 A I E -A 15 0A 15 9,-2.5 9,-2.4 -2,-0.4 2,-0.3 -0.928 5.3-176.2-133.8 160.9 5.2 -9.5 26.9 7 7 A S E +A 14 0A 74 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.991 2.1 178.2-154.2 156.1 1.9 -8.7 28.5 8 8 A W E > +A 13 0A 37 5,-2.2 5,-2.8 -2,-0.3 3,-0.2 -0.993 39.3 19.8-157.6 160.6 0.0 -5.7 29.9 9 9 A G T 5S- 0 0 49 -2,-0.3 46,-0.0 3,-0.2 43,-0.0 -0.114 89.1 -68.4 75.2-171.1 -3.2 -4.5 31.4 10 10 A T T 5S+ 0 0 149 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 0.586 125.2 48.4 -97.0 -12.0 -6.0 -6.5 33.0 11 11 A T T 5S- 0 0 88 -3,-0.2 -1,-0.1 19,-0.0 -2,-0.1 0.964 113.5-126.5 -56.9 -54.9 -7.4 -8.4 29.9 12 12 A P T 5 - 0 0 47 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.676 27.7-150.2 -90.3 170.6 -4.5 -9.0 29.5 13 13 A S E < -A 8 0A 18 -5,-2.8 -5,-2.2 17,-0.1 2,-0.4 -0.791 20.7-167.5 -87.2 142.0 -3.0 -8.1 26.1 14 14 A I E -AB 7 29A 47 15,-2.3 15,-2.4 -2,-0.4 2,-0.4 -0.983 11.3-167.8-128.7 143.0 -0.1 -10.4 25.1 15 15 A R E -AB 6 28A 26 -9,-2.4 -9,-2.5 -2,-0.4 2,-0.5 -0.999 2.6-167.9-129.0 130.0 2.5 -10.1 22.4 16 16 A V E -AB 5 27A 34 11,-2.5 11,-2.5 -2,-0.4 2,-0.4 -0.991 6.2-159.5-116.6 119.6 4.7 -13.0 21.3 17 17 A Y E -AB 4 26A 0 -13,-2.8 -13,-2.1 -2,-0.5 2,-0.4 -0.872 8.5-164.3 -96.9 132.4 7.7 -12.2 19.0 18 18 A T E -AB 3 25A 24 7,-2.4 7,-2.3 -2,-0.4 2,-0.6 -0.986 9.9-157.8-123.2 123.9 9.2 -15.2 17.1 19 19 A A E +AB 2 24A 2 -17,-3.1 -17,-2.0 -2,-0.4 2,-0.3 -0.891 29.6 152.5 -92.4 123.8 12.5 -15.2 15.3 20 20 A N E > - B 0 23A 88 3,-2.6 3,-1.9 -2,-0.6 23,-0.1 -0.956 64.4 -4.4-149.0 129.5 12.6 -17.9 12.6 21 21 A G T 3 S- 0 0 58 -2,-0.3 23,-0.1 1,-0.3 3,-0.1 0.855 128.4 -54.9 59.9 32.5 14.7 -18.0 9.4 22 22 A N T 3 S+ 0 0 105 1,-0.2 21,-1.9 21,-0.2 2,-0.4 0.518 118.6 107.5 73.1 11.4 16.1 -14.5 10.0 23 23 A K E < -BC 20 42A 93 -3,-1.9 -3,-2.6 19,-0.3 2,-0.5 -0.972 54.9-155.2-120.8 132.4 12.6 -13.0 10.3 24 24 A I E +BC 19 41A 1 17,-3.0 17,-1.6 -2,-0.4 2,-0.2 -0.920 21.0 174.7-104.6 128.8 10.9 -11.7 13.4 25 25 A T E -BC 18 40A 56 -7,-2.3 -7,-2.4 -2,-0.5 2,-0.4 -0.744 19.6-130.6-127.1 173.3 7.1 -11.7 13.4 26 26 A E E -B 17 0A 7 13,-0.5 11,-2.7 11,-0.3 2,-0.4 -0.986 10.1-166.0-137.2 131.2 4.5 -11.0 16.0 27 27 A R E -BC 16 36A 107 -11,-2.5 -11,-2.5 -2,-0.4 2,-0.4 -0.953 19.9-156.0-117.8 143.8 1.3 -12.7 17.3 28 28 A C E -BC 15 35A 2 7,-2.9 7,-2.1 -2,-0.4 2,-0.4 -0.911 17.0-169.9-130.9 141.1 -1.1 -10.8 19.4 29 29 A Y E +BC 14 34A 59 -15,-2.4 -15,-2.3 -2,-0.4 5,-0.1 -0.997 13.3 164.7-130.5 126.3 -3.9 -11.5 21.9 30 30 A D S S- 0 0 65 3,-0.6 -17,-0.1 -2,-0.4 4,-0.1 0.064 78.6 -62.3-126.4 22.3 -6.3 -8.7 23.1 31 31 A G S S+ 0 0 35 -19,-0.1 3,-0.1 1,-0.1 -18,-0.1 0.269 120.9 36.4 121.2 -9.9 -8.9 -10.9 24.8 32 32 A S S S+ 0 0 94 1,-0.5 2,-0.3 0, 0.0 -1,-0.1 0.361 107.4 5.7-130.4 -95.7 -10.4 -13.1 22.1 33 33 A N - 0 0 101 -3,-0.1 -3,-0.6 1,-0.0 -1,-0.5 -0.674 68.1-113.6 -93.4 158.0 -8.5 -14.6 19.1 34 34 A W E +C 29 0A 104 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.2 -0.656 41.9 178.7 -79.6 144.9 -4.8 -14.6 18.4 35 35 A Y E -C 28 0A 80 -7,-2.1 -7,-2.9 -2,-0.3 2,-0.5 -0.947 34.3 -93.5-143.7 164.3 -3.9 -12.6 15.3 36 36 A T E -C 27 0A 89 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.1 -0.672 43.1-142.5 -84.8 127.1 -0.8 -11.6 13.3 37 37 A G E - 0 0 10 -11,-2.7 -11,-0.3 -2,-0.5 -1,-0.1 -0.271 21.7-107.2 -83.1 170.1 0.6 -8.2 14.3 38 38 A A E S+ 0 0 76 -13,-0.1 2,-0.3 -2,-0.1 104,-0.2 0.655 81.6 110.5 -69.5 -20.5 2.1 -5.4 12.3 39 39 A F E + 0 0 1 102,-0.1 -13,-0.5 39,-0.0 2,-0.3 -0.431 32.1 155.2 -69.6 127.4 5.7 -6.0 13.4 40 40 A N E +C 25 0A 33 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.872 11.4 142.9-147.8 115.3 8.1 -7.5 10.9 41 41 A Q E -C 24 0A 61 -17,-1.6 -17,-3.0 -2,-0.3 2,-0.1 -0.973 48.9 -91.3-147.0 160.9 11.9 -6.9 11.1 42 42 A A E +C 23 0A 62 -2,-0.3 -19,-0.3 -19,-0.2 2,-0.2 -0.422 62.0 109.9 -73.7 145.5 15.0 -8.9 10.5 43 43 A G - 0 0 0 -21,-1.9 -23,-0.3 -2,-0.1 22,-0.3 -0.681 54.2-141.9 161.9 157.0 16.7 -11.0 13.1 44 44 A D S S+ 0 0 73 20,-2.7 2,-0.3 -2,-0.2 21,-0.2 0.473 94.2 38.0-106.6 -2.7 17.6 -14.4 14.5 45 45 A N E -D 64 0B 67 19,-1.5 19,-2.8 -23,-0.1 2,-0.3 -0.995 66.7-173.2-149.8 143.4 17.1 -13.4 18.2 46 46 A V E +D 63 0B 2 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.998 10.3 172.8-141.6 139.9 14.5 -11.2 19.9 47 47 A S E -D 62 0B 57 15,-1.6 15,-2.8 -2,-0.3 2,-0.3 -0.930 13.8-173.2-133.2 166.6 13.8 -9.8 23.3 48 48 A A E -D 61 0B 24 -2,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.995 12.9-176.9-156.8 155.2 11.1 -7.2 24.3 49 49 A T E -D 60 0B 71 11,-2.3 11,-2.8 -2,-0.3 2,-0.3 -0.947 10.3-171.6-148.4 159.5 9.8 -5.1 27.1 50 50 A C E -D 59 0B 29 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.980 6.5-170.0-149.6 164.2 6.8 -2.8 27.5 51 51 A W E -D 58 0B 113 7,-2.2 7,-2.5 -2,-0.3 2,-0.4 -0.959 20.1-123.1-149.9 163.2 5.3 -0.3 29.9 52 52 A L E -D 57 0B 76 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.890 9.3-167.3-110.6 138.1 2.0 1.6 30.2 53 53 A S E > S-D 56 0B 64 3,-2.5 3,-1.9 -2,-0.4 2,-0.5 -0.934 80.4 -52.9-115.8 98.9 1.4 5.3 30.4 54 54 A G T 3 S- 0 0 72 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.559 121.5 -22.3 67.7-117.5 -2.2 5.2 31.5 55 55 A S T 3 S+ 0 0 122 -2,-0.5 2,-0.5 -3,-0.1 -1,-0.3 0.595 117.7 100.6 -95.3 -11.3 -4.0 3.0 29.0 56 56 A A E < -D 53 0B 47 -3,-1.9 -3,-2.5 1,-0.0 2,-0.2 -0.632 63.5-143.9 -87.5 120.8 -1.4 3.5 26.3 57 57 A V E -D 52 0B 20 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.529 9.4-163.7 -82.4 143.7 1.2 0.7 25.7 58 58 A H E -D 51 0B 34 -7,-2.5 -7,-2.2 -2,-0.2 2,-0.4 -1.000 12.2-169.0-124.2 129.6 4.8 1.4 24.8 59 59 A I E -DE 50 74B 4 15,-2.0 15,-2.5 -2,-0.4 2,-0.4 -0.957 12.4-166.5-123.1 139.2 6.8 -1.5 23.4 60 60 A R E -DE 49 73B 36 -11,-2.8 -11,-2.3 -2,-0.4 2,-0.4 -0.995 7.4-170.2-123.6 123.8 10.5 -2.0 22.8 61 61 A V E -DE 48 72B 0 11,-2.5 11,-2.7 -2,-0.4 2,-0.7 -0.961 10.7-153.1-112.4 130.8 11.7 -4.9 20.7 62 62 A Y E -DE 47 71B 52 -15,-2.8 -15,-1.6 -2,-0.4 2,-0.6 -0.906 14.9-169.0-108.3 106.7 15.4 -5.7 20.5 63 63 A A E -DE 46 70B 3 7,-3.0 7,-2.8 -2,-0.7 2,-0.5 -0.905 2.7-161.1-104.5 118.9 16.0 -7.5 17.2 64 64 A T E +DE 45 69B 24 -19,-2.8 -20,-2.7 -2,-0.6 -19,-1.5 -0.890 11.9 177.8-108.3 126.2 19.5 -9.1 16.7 65 65 A S E > - 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