==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-JUL-11 3ZW2 . 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 . 261 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 60.9 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 . 135 51.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 13 5.0 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 . 3 1.1 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 . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 3.1 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 . 3 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 3 0 2 1 9 1 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 6 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 M 0 0 79 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 124.7 -28.1 30.8 54.1 2 2 A Q E -A 19 0A 33 17,-2.1 17,-3.0 219,-0.0 2,-0.3 -0.998 360.0-156.4-145.8 132.9 -24.6 32.4 53.8 3 3 A T E -A 18 0A 4 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.745 13.4-166.7-117.3 158.6 -21.1 31.3 54.9 4 4 A A E -A 17 0A 10 13,-2.1 13,-2.9 -2,-0.3 2,-0.4 -0.980 17.3-160.1-132.6 145.5 -17.7 32.5 55.8 5 5 A A E +A 16 0A 16 -2,-0.3 2,-0.3 219,-0.3 219,-0.2 -0.993 13.0 170.2-134.9 137.1 -14.6 30.3 56.1 6 6 A I E -A 15 0A 9 9,-2.4 9,-2.7 -2,-0.4 2,-0.3 -0.945 5.6-175.8-136.1 160.8 -11.2 30.6 57.7 7 7 A S E -A 14 0A 18 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.987 1.7-177.2-154.0 157.8 -8.3 28.3 58.5 8 8 A W E > +A 13 0A 40 5,-2.0 5,-2.6 -2,-0.3 3,-0.2 -0.991 43.0 17.4-152.1 161.2 -5.0 28.2 60.2 9 9 A G T 5S- 0 0 39 -2,-0.3 43,-0.0 3,-0.2 0, 0.0 -0.159 87.1 -75.0 71.7-173.1 -2.0 26.1 60.9 10 10 A T T 5S+ 0 0 108 1,-0.1 -1,-0.2 2,-0.1 217,-0.0 0.567 124.9 52.3-105.3 -5.1 -0.9 22.9 59.1 11 11 A T T 5S- 0 0 93 -3,-0.2 -1,-0.1 19,-0.0 -2,-0.1 0.954 113.9-131.8 -54.7 -53.8 -3.5 20.4 60.4 12 12 A P T 5 - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.710 27.2-149.7 -91.3 173.6 -5.3 22.7 59.5 13 13 A S E < -A 8 0A 18 -5,-2.6 -5,-2.0 17,-0.1 2,-0.4 -0.882 21.5-166.9 -88.2 141.2 -8.0 24.0 61.8 14 14 A I E -AB 7 29A 4 15,-2.6 15,-2.6 -2,-0.4 2,-0.4 -0.978 11.4-167.3-128.7 139.6 -11.0 25.3 59.8 15 15 A R E -AB 6 28A 24 -9,-2.7 -9,-2.4 -2,-0.4 2,-0.5 -0.997 1.4-169.1-123.5 134.9 -13.9 27.3 61.0 16 16 A V E -AB 5 27A 0 11,-2.9 11,-2.7 -2,-0.4 2,-0.4 -0.984 6.7-161.1-122.8 115.4 -17.1 27.8 58.9 17 17 A Y E -AB 4 26A 0 -13,-2.9 -13,-2.1 -2,-0.5 2,-0.5 -0.860 7.2-165.1 -97.2 129.4 -19.6 30.5 60.0 18 18 A T E -AB 3 25A 10 7,-2.6 7,-2.3 -2,-0.4 2,-0.5 -0.987 9.0-156.5-123.4 122.0 -23.1 30.2 58.7 19 19 A A E +AB 2 24A 3 -17,-3.0 -17,-2.1 -2,-0.5 2,-0.3 -0.867 33.6 144.2 -90.4 122.2 -25.7 33.0 58.8 20 20 A N E > + B 0 23A 75 3,-2.7 3,-1.6 -2,-0.5 23,-0.1 -0.892 61.8 4.0-158.0 136.2 -29.3 31.6 58.6 21 21 A G T 3 S- 0 0 67 -2,-0.3 23,-0.1 1,-0.3 3,-0.1 0.857 129.0 -56.7 58.9 37.5 -32.6 32.5 60.2 22 22 A N T 3 S+ 0 0 117 1,-0.2 21,-2.5 21,-0.1 2,-0.4 0.439 119.3 98.2 72.2 5.1 -31.0 35.5 61.9 23 23 A K E < -BC 20 42A 73 -3,-1.6 -3,-2.7 19,-0.3 2,-0.5 -0.945 60.5-146.8-124.7 148.4 -28.4 33.5 63.7 24 24 A I E -BC 19 41A 0 17,-2.9 17,-1.6 -2,-0.4 2,-0.3 -0.958 21.6-179.0-113.3 123.8 -24.8 32.8 63.0 25 25 A T E -BC 18 40A 6 -7,-2.3 -7,-2.6 -2,-0.5 2,-0.4 -0.749 17.6-131.4-117.4 170.5 -23.4 29.4 64.0 26 26 A E E -B 17 0A 8 13,-0.6 11,-2.2 11,-0.3 2,-0.4 -0.986 10.5-165.4-134.2 124.5 -19.9 27.9 63.8 27 27 A R E -BC 16 36A 25 -11,-2.7 -11,-2.9 -2,-0.4 2,-0.4 -0.938 20.4-159.6-111.1 139.9 -18.7 24.5 62.4 28 28 A C E -BC 15 35A 1 7,-2.9 7,-2.2 -2,-0.4 2,-0.4 -0.943 18.5-168.2-130.0 139.4 -15.2 23.5 63.3 29 29 A Y E +B 14 0A 63 -15,-2.6 -15,-2.6 -2,-0.4 5,-0.1 -1.000 15.2 163.2-126.4 125.4 -12.5 21.1 62.0 30 30 A D S S- 0 0 69 -2,-0.4 -17,-0.1 3,-0.3 3,-0.1 0.097 79.5 -66.6-122.1 18.0 -9.5 20.4 64.1 31 31 A G S S+ 0 0 40 1,-0.5 2,-0.2 -17,-0.1 3,-0.1 0.330 118.4 50.3 116.6 -3.5 -8.3 17.2 62.4 32 32 A S S S- 0 0 91 1,-0.3 -1,-0.5 3,-0.0 -2,-0.1 -0.370 104.5 -10.3-136.8-146.3 -11.1 14.8 63.3 33 33 A N S S- 0 0 139 -2,-0.2 -3,-0.3 1,-0.1 -1,-0.3 -0.226 73.0-108.1 -61.0 144.0 -14.9 14.9 63.2 34 34 A W - 0 0 27 225,-0.2 2,-0.3 -5,-0.1 -5,-0.2 -0.468 46.4-175.0 -65.3 143.9 -16.5 18.3 62.3 35 35 A Y E -C 28 0A 92 -7,-2.2 -7,-2.9 -2,-0.1 2,-0.6 -0.935 30.6-102.2-141.4 162.7 -18.2 19.8 65.4 36 36 A T E -C 27 0A 66 -2,-0.3 -9,-0.2 -9,-0.2 226,-0.0 -0.789 43.6-146.3 -91.5 125.1 -20.4 22.7 66.4 37 37 A G E - 0 0 15 -11,-2.2 -11,-0.3 -2,-0.6 -1,-0.0 -0.155 25.3 -99.0 -89.6 179.9 -18.4 25.4 68.1 38 38 A A E S+ 0 0 78 -13,-0.1 2,-0.4 -2,-0.0 41,-0.1 0.592 84.6 110.5 -74.2 -14.2 -19.0 27.9 70.9 39 39 A F E + 0 0 1 39,-0.0 -13,-0.6 -13,-0.0 2,-0.3 -0.497 34.1 151.3 -71.4 125.2 -19.7 30.8 68.5 40 40 A N E +C 25 0A 97 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.836 11.0 139.4-155.5 108.9 -23.4 31.8 68.5 41 41 A Q E -C 24 0A 53 -17,-1.6 -17,-2.9 -2,-0.3 2,-0.1 -0.979 50.3 -90.4-148.5 162.8 -24.5 35.3 67.8 42 42 A A E +C 23 0A 64 -2,-0.3 -19,-0.3 -19,-0.2 2,-0.2 -0.358 61.9 112.8 -74.8 149.2 -27.3 37.2 66.0 43 43 A G - 0 0 2 -21,-2.5 -23,-0.3 1,-0.1 22,-0.3 -0.697 53.5-142.4 161.1 155.6 -26.9 38.2 62.3 44 44 A D S S+ 0 0 77 20,-2.6 2,-0.3 1,-0.2 21,-0.2 0.425 93.2 37.5-110.8 0.6 -28.0 37.8 58.7 45 45 A N E -D 64 0B 12 19,-1.4 19,-3.0 -23,-0.1 2,-0.3 -0.992 66.5-172.0-153.5 142.4 -24.5 38.2 57.3 46 46 A V E +D 63 0B 2 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.990 11.0 171.8-140.5 141.4 -21.0 37.1 58.4 47 47 A S E -D 62 0B 7 15,-1.4 15,-3.0 -2,-0.3 2,-0.3 -0.930 14.9-173.6-135.4 164.9 -17.4 37.6 57.5 48 48 A A E -D 61 0B 14 -2,-0.3 45,-0.3 13,-0.3 2,-0.3 -0.991 13.4-179.9-158.1 157.4 -14.3 36.4 59.3 49 49 A T E -D 60 0B 15 11,-2.2 11,-2.9 -2,-0.3 2,-0.3 -0.949 10.5-168.6-151.1 164.2 -10.6 36.6 59.5 50 50 A C E -D 59 0B 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.986 7.8-177.6-155.1 161.5 -7.9 35.1 61.7 51 51 A W E -D 58 0B 30 7,-2.2 7,-2.7 -2,-0.3 2,-0.3 -0.977 23.3-117.4-154.5 164.5 -4.2 35.2 62.7 52 52 A L E -D 57 0B 97 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.814 17.8-171.3-107.4 143.9 -1.8 33.5 65.0 53 53 A S E > -D 56 0B 55 3,-2.5 3,-1.0 -2,-0.3 45,-0.0 -0.766 52.7 -80.0-113.7 174.1 0.3 34.9 67.8 54 54 A G T 3 S+ 0 0 91 -2,-0.3 3,-0.0 1,-0.3 -2,-0.0 0.811 124.1 7.7 -44.2 -43.0 3.0 32.9 69.7 55 55 A S T 3 S+ 0 0 123 1,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.083 122.8 51.9-137.2 30.5 0.6 31.0 71.9 56 56 A A E < -D 53 0B 29 -3,-1.0 -3,-2.5 2,-0.0 2,-0.4 -0.989 63.0-131.3-152.9 158.6 -3.0 31.8 70.7 57 57 A V E -D 52 0B 26 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.888 26.7-154.7-102.2 141.5 -5.2 31.8 67.6 58 58 A H E -D 51 0B 28 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.4 -0.986 10.9-173.1-120.1 130.8 -7.2 35.0 67.2 59 59 A I E -DE 50 74B 4 15,-2.3 15,-2.5 -2,-0.4 2,-0.5 -0.973 9.0-166.2-125.2 136.4 -10.4 35.2 65.3 60 60 A R E -DE 49 73B 33 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.993 7.1-171.5-121.4 126.7 -12.5 38.1 64.3 61 61 A V E -DE 48 72B 0 11,-2.6 11,-2.8 -2,-0.5 2,-0.7 -0.962 11.7-151.5-118.2 130.0 -16.0 37.5 63.1 62 62 A Y E -DE 47 71B 0 -15,-3.0 -15,-1.4 -2,-0.5 2,-0.6 -0.912 14.2-169.1-110.0 107.8 -18.1 40.5 61.7 63 63 A A E -DE 46 70B 0 7,-3.1 7,-2.8 -2,-0.7 2,-0.5 -0.892 1.6-164.3-105.1 118.6 -21.8 39.9 62.3 64 64 A T E +DE 45 69B 0 -19,-3.0 -20,-2.6 -2,-0.6 -19,-1.4 -0.909 11.8 177.4-113.8 124.3 -24.2 42.2 60.5 65 65 A S E > - 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