==== 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 29-JUL-11 3ZWE . 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) . 11293.0 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 . 133 51.0 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 . 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 . 23 8.8 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 3 4 0 1 1 8 0 3 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 2 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 70 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 121.7 -28.2 3.1 16.1 2 2 A Q E -A 19 0A 29 17,-2.2 17,-2.9 42,-0.1 2,-0.3 -0.978 360.0-156.4-139.3 139.4 -24.7 1.8 15.6 3 3 A T E -A 18 0A 4 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.803 9.3-164.4-118.6 156.1 -23.0 -0.3 12.8 4 4 A A E -A 17 0A 10 13,-1.9 13,-2.5 -2,-0.3 2,-0.4 -0.972 16.7-159.5-128.9 148.8 -20.0 -2.6 12.3 5 5 A A E +A 16 0A 17 -2,-0.3 2,-0.3 219,-0.3 219,-0.2 -0.994 13.4 171.2-137.1 133.9 -18.7 -3.4 8.9 6 6 A I E -A 15 0A 9 9,-2.5 9,-2.8 -2,-0.4 2,-0.3 -0.906 5.2-176.0-135.0 161.3 -16.5 -6.3 7.6 7 7 A S E +A 14 0A 21 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.983 3.2 175.3-155.4 152.7 -15.4 -7.5 4.1 8 8 A W E > +A 13 0A 39 5,-1.9 5,-3.0 -2,-0.3 3,-0.2 -0.984 38.2 26.4-153.4 158.1 -13.5 -10.3 2.4 9 9 A G T 5S- 0 0 45 -2,-0.3 43,-0.0 3,-0.2 0, 0.0 -0.070 88.2 -67.0 90.0-176.4 -12.5 -11.8 -1.0 10 10 A T T 5S+ 0 0 137 1,-0.1 -1,-0.2 2,-0.1 217,-0.0 0.712 129.1 43.4 -87.5 -16.5 -12.0 -10.3 -4.5 11 11 A T T 5S- 0 0 82 -3,-0.2 -1,-0.1 19,-0.0 -2,-0.1 0.950 112.8-125.7 -61.1 -60.7 -15.6 -9.5 -5.0 12 12 A P T 5 - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.626 24.0-150.0 -94.7 172.6 -15.7 -8.4 -2.2 13 13 A S E < -A 8 0A 16 -5,-3.0 -5,-1.9 17,-0.1 2,-0.4 -0.799 21.0-164.5 -90.5 144.6 -18.4 -9.7 0.2 14 14 A I E -AB 7 29A 4 15,-2.6 15,-2.3 -2,-0.4 2,-0.4 -0.992 11.1-166.8-130.5 142.0 -19.5 -7.2 2.7 15 15 A R E -AB 6 28A 25 -9,-2.8 -9,-2.5 -2,-0.4 2,-0.4 -0.999 1.5-172.0-127.8 134.2 -21.4 -7.5 6.0 16 16 A V E -AB 5 27A 0 11,-2.3 11,-2.6 -2,-0.4 2,-0.4 -0.989 6.6-163.1-126.9 122.3 -22.9 -4.6 7.9 17 17 A Y E -AB 4 26A 0 -13,-2.5 -13,-1.9 -2,-0.4 2,-0.4 -0.842 6.0-163.5-106.1 133.4 -24.3 -5.3 11.3 18 18 A T E -AB 3 25A 12 7,-2.2 7,-2.5 -2,-0.4 2,-0.6 -0.988 11.6-156.8-122.8 127.2 -26.7 -2.8 12.9 19 19 A A E +AB 2 24A 3 -17,-2.9 -17,-2.2 -2,-0.4 2,-0.3 -0.919 27.0 162.2 -94.8 122.7 -27.7 -2.5 16.6 20 20 A N E > - B 0 23A 105 3,-2.5 3,-1.2 -2,-0.6 23,-0.1 -0.910 67.4 -14.8-143.8 112.4 -31.0 -0.7 16.7 21 21 A G T 3 S- 0 0 67 -2,-0.3 23,-0.1 1,-0.2 3,-0.1 0.935 127.6 -49.1 58.2 54.8 -33.2 -0.9 19.8 22 22 A N T 3 S+ 0 0 89 1,-0.1 21,-2.1 20,-0.1 2,-0.4 0.412 118.5 101.0 62.0 5.9 -31.5 -3.9 21.5 23 23 A K E < -BC 20 42A 115 -3,-1.2 -3,-2.5 19,-0.3 2,-0.5 -0.957 57.3-152.3-114.4 140.1 -31.5 -6.1 18.4 24 24 A I E +BC 19 41A 0 17,-3.1 17,-1.5 -2,-0.4 -5,-0.2 -0.948 21.1 175.2-105.7 124.2 -28.5 -6.6 16.0 25 25 A T E -B 18 0A 24 -7,-2.5 -7,-2.2 -2,-0.5 2,-0.4 -0.705 18.5-132.0-123.1 178.2 -29.4 -7.5 12.4 26 26 A E E -B 17 0A 8 13,-0.5 11,-2.4 11,-0.3 2,-0.4 -0.992 9.3-163.9-141.0 133.1 -27.2 -8.0 9.3 27 27 A R E -BD 16 36A 28 -11,-2.6 -11,-2.3 -2,-0.4 2,-0.3 -0.971 21.0-156.4-114.6 143.9 -27.2 -6.7 5.7 28 28 A C E -BD 15 35A 2 7,-3.0 7,-2.1 -2,-0.4 2,-0.4 -0.906 17.2-172.0-129.3 141.9 -25.1 -8.6 3.1 29 29 A Y E +B 14 0A 61 -15,-2.3 -15,-2.6 -2,-0.3 5,-0.1 -0.996 11.3 166.7-132.0 130.2 -23.5 -7.9 -0.3 30 30 A D S S- 0 0 63 3,-0.4 -17,-0.1 -2,-0.4 3,-0.1 0.152 79.0 -63.7-127.4 11.6 -21.9 -10.7 -2.4 31 31 A G S S+ 0 0 37 1,-0.3 2,-0.1 2,-0.1 3,-0.1 0.409 122.1 40.4 122.4 -0.7 -21.5 -8.8 -5.7 32 32 A S S S+ 0 0 85 1,-0.4 -1,-0.3 0, 0.0 2,-0.1 -0.128 106.1 3.1-136.6-120.5 -25.1 -8.1 -6.7 33 33 A N - 0 0 109 -2,-0.1 -3,-0.4 -3,-0.1 -1,-0.4 -0.401 68.2-115.3 -71.2 147.7 -28.1 -7.0 -4.5 34 34 A W - 0 0 24 225,-0.2 2,-0.3 -5,-0.1 -5,-0.2 -0.575 42.3-179.8 -66.6 145.3 -28.0 -6.3 -0.8 35 35 A Y E -D 28 0A 79 -7,-2.1 -7,-3.0 -2,-0.2 2,-0.4 -0.931 33.1 -94.5-142.9 168.9 -30.0 -8.8 1.3 36 36 A T E -D 27 0A 75 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.1 -0.712 44.1-139.5 -87.6 135.5 -30.9 -9.5 4.9 37 37 A G - 0 0 10 -11,-2.4 -11,-0.3 -2,-0.4 -1,-0.0 -0.375 21.5-106.4 -90.2 169.5 -28.6 -12.0 6.5 38 38 A A S S+ 0 0 74 -2,-0.1 2,-0.3 -13,-0.1 41,-0.1 0.637 82.9 111.6 -65.2 -19.9 -29.3 -14.9 8.9 39 39 A F + 0 0 0 39,-0.0 -13,-0.5 33,-0.0 2,-0.3 -0.441 30.4 151.3 -68.5 127.8 -27.9 -13.0 11.9 40 40 A N + 0 0 103 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.813 16.0 135.8-155.0 106.1 -30.4 -11.9 14.6 41 41 A Q E -C 24 0A 55 -17,-1.5 -17,-3.1 -2,-0.3 2,-0.3 -0.946 51.8 -85.4-148.8 168.8 -29.2 -11.6 18.2 42 42 A A E +C 23 0A 43 -2,-0.3 -19,-0.3 -19,-0.2 2,-0.2 -0.570 61.6 109.7 -85.8 137.6 -29.6 -9.2 21.1 43 43 A G - 0 0 0 -21,-2.1 -23,-0.3 -2,-0.3 22,-0.2 -0.820 52.0-146.1 169.9 153.1 -27.5 -6.1 21.7 44 44 A D S S+ 0 0 69 20,-2.3 2,-0.3 -2,-0.2 -25,-0.2 0.529 95.9 42.7 -98.7 -15.2 -27.3 -2.3 21.8 45 45 A N E -E 64 0B 14 19,-1.5 19,-2.6 -23,-0.1 2,-0.4 -0.992 66.7-174.1-136.9 137.5 -23.6 -2.5 20.6 46 46 A V E +E 63 0B 1 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.997 9.7 170.8-134.7 133.6 -21.9 -4.6 17.9 47 47 A S E -E 62 0B 9 15,-1.6 15,-3.9 -2,-0.4 2,-0.3 -0.953 15.1-175.8-128.5 158.9 -18.3 -5.1 16.7 48 48 A A E -E 61 0B 14 -2,-0.3 45,-0.3 13,-0.3 2,-0.3 -0.985 13.1-178.2-149.9 159.4 -17.2 -7.8 14.2 49 49 A T E -E 60 0B 13 11,-2.1 11,-2.9 -2,-0.3 2,-0.3 -0.957 8.8-170.0-152.4 159.2 -14.2 -9.3 12.5 50 50 A C E -E 59 0B 23 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.982 5.8-177.3-150.5 163.1 -13.6 -12.1 9.9 51 51 A W E -E 58 0B 25 7,-2.0 7,-2.6 -2,-0.3 2,-0.3 -0.967 21.6-121.6-154.0 162.5 -10.9 -14.2 8.2 52 52 A L E +E 57 0B 81 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.794 22.2 176.2-106.7 156.7 -10.4 -16.9 5.5 53 53 A S E > S-E 56 0B 38 3,-2.0 3,-3.2 -2,-0.3 -2,-0.0 -0.928 73.7 -11.4-157.0 133.8 -9.0 -20.3 5.8 54 54 A G T 3 S- 0 0 82 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.820 127.6 -55.4 35.0 50.8 -8.8 -22.9 3.0 55 55 A S T 3 S+ 0 0 131 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.435 116.4 112.8 66.9 -1.1 -11.2 -20.8 0.9 56 56 A A E < -E 53 0B 49 -3,-3.2 -3,-2.0 19,-0.0 2,-0.4 -0.792 61.5-131.1 -99.7 151.0 -13.9 -20.7 3.7 57 57 A V E -E 52 0B 28 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.805 17.0-167.2-105.4 140.0 -15.0 -17.5 5.6 58 58 A H E -E 51 0B 32 -7,-2.6 -7,-2.0 -2,-0.4 2,-0.4 -0.977 4.8-168.6-126.6 138.9 -15.3 -17.3 9.4 59 59 A I E -EF 50 74B 4 15,-2.2 15,-2.4 -2,-0.4 2,-0.5 -0.984 10.3-165.9-132.1 135.2 -17.0 -14.4 11.2 60 60 A R E -EF 49 73B 34 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.4 -0.996 9.2-169.3-119.7 121.7 -17.0 -13.4 14.9 61 61 A V E -EF 48 72B 0 11,-2.5 11,-2.7 -2,-0.5 2,-0.7 -0.947 10.0-151.2-110.1 132.2 -19.6 -10.9 15.9 62 62 A Y E -EF 47 71B 0 -15,-3.9 -15,-1.6 -2,-0.4 2,-0.5 -0.903 13.7-169.4-112.6 106.3 -19.4 -9.3 19.4 63 63 A A E -EF 46 70B 1 7,-2.7 7,-2.8 -2,-0.7 2,-0.4 -0.850 3.8-160.4-102.3 119.5 -22.8 -8.3 20.8 64 64 A T E -EF 45 69B 0 -19,-2.6 -20,-2.3 -2,-0.5 -19,-1.5 -0.874 10.3-177.3-109.2 134.5 -23.0 -6.2 24.0 65 65 A S - 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