==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 25-MAR-03 1OUS . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN LECB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.LORIS,D.TIELKER,K.-E.JAEGER,L.WYNS . 450 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 244 54.2 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 . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 36 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 4 6 0 1 8 4 1 4 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 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 A 0 0 47 0, 0.0 427,-0.1 0, 0.0 304,-0.0 0.000 360.0 360.0 360.0 155.4 13.5 26.1 -9.4 2 2 A T - 0 0 95 426,-0.1 2,-0.3 2,-0.0 76,-0.1 -0.369 360.0-172.8 -62.6 137.7 14.9 24.1 -6.6 3 3 A Q + 0 0 33 1,-0.1 3,-0.1 74,-0.1 73,-0.1 -0.935 53.8 37.3-132.8 156.1 16.7 26.2 -4.0 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.7 1,-0.2 2,-0.5 0.571 83.1 115.3 82.3 9.8 18.8 25.6 -0.9 5 5 A V E +A 64 0A 27 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.955 38.1 175.7-116.2 129.4 20.5 22.5 -2.3 6 6 A F E -A 63 0A 5 57,-3.0 57,-2.5 -2,-0.5 2,-0.7 -0.991 26.5-141.1-135.7 140.9 24.3 22.5 -2.9 7 7 A T E -A 62 0A 81 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.892 27.4-171.8-101.7 112.4 26.8 19.9 -4.1 8 8 A L - 0 0 5 53,-3.1 2,-0.1 -2,-0.7 6,-0.0 -0.650 33.5 -92.2 -99.4 159.2 30.0 20.4 -2.1 9 9 A P - 0 0 61 0, 0.0 3,-0.5 0, 0.0 48,-0.2 -0.430 52.5-103.9 -66.9 147.0 33.3 18.6 -2.8 10 10 A A S S+ 0 0 44 1,-0.2 49,-0.2 49,-0.2 48,-0.1 -0.225 98.4 22.7 -68.6 164.0 33.6 15.4 -0.8 11 11 A N S S+ 0 0 133 47,-2.9 2,-0.4 1,-0.2 -1,-0.2 0.861 93.7 133.4 44.3 49.1 35.8 15.1 2.4 12 12 A T - 0 0 22 -3,-0.5 45,-2.7 46,-0.2 2,-0.4 -0.982 53.7-134.1-130.7 135.8 35.7 18.9 2.8 13 13 A R E +B 56 0A 77 100,-0.6 100,-2.6 -2,-0.4 2,-0.3 -0.716 30.5 178.2 -88.5 137.8 35.1 20.9 6.0 14 14 A F E -B 55 0A 0 41,-2.7 41,-3.0 -2,-0.4 2,-0.3 -0.985 23.7-128.1-139.4 150.9 32.7 23.8 5.6 15 15 A G E -BC 54 110A 0 95,-2.7 95,-1.6 -2,-0.3 2,-0.4 -0.734 16.5-166.8 -98.4 147.7 31.2 26.4 7.8 16 16 A V E +BC 53 109A 0 37,-2.0 37,-2.4 -2,-0.3 2,-0.4 -0.988 11.5 173.6-134.8 123.8 27.4 27.1 8.1 17 17 A T E -BC 52 108A 0 91,-2.3 91,-2.8 -2,-0.4 2,-0.4 -0.996 13.0-157.6-134.5 135.7 26.2 30.2 9.9 18 18 A A E -BC 51 107A 0 33,-2.7 32,-2.7 -2,-0.4 33,-1.0 -0.944 4.2-168.4-119.9 138.3 22.7 31.5 10.2 19 19 A F E -BC 49 106A 0 87,-2.9 87,-2.5 -2,-0.4 2,-0.4 -0.858 12.3-144.8-117.1 152.6 21.5 35.1 10.9 20 20 A A E + C 0 105A 0 28,-1.6 27,-1.2 -2,-0.3 26,-0.6 -0.957 25.6 167.5-126.8 142.4 18.0 36.2 11.7 21 21 A N E +B 45 0A 0 83,-2.1 2,-0.3 -2,-0.4 24,-0.3 -0.514 50.5 97.0-145.2 65.7 15.9 39.3 10.9 22 22 A S E S-B 44 0A 6 22,-2.7 22,-0.6 82,-0.1 24,-0.1 -0.994 74.5-122.5-155.4 154.8 12.4 38.4 11.9 23 23 A S E S+ 0 0 113 -2,-0.3 2,-0.3 20,-0.1 22,-0.1 0.693 95.1 66.5 -71.4 -19.0 9.9 38.9 14.7 24 24 A G E S- 0 0 15 20,-0.1 20,-0.3 1,-0.1 2,-0.2 -0.719 95.8 -93.4-108.3 157.5 9.6 35.1 14.9 25 25 A T E - 0 0 61 -2,-0.3 45,-0.5 18,-0.1 2,-0.4 -0.440 40.8-143.0 -65.5 131.7 11.9 32.3 15.9 26 26 A Q E -B 42 0A 0 16,-3.4 16,-1.8 -2,-0.2 2,-0.5 -0.810 8.0-157.3-100.3 137.8 13.7 30.8 12.9 27 27 A T E -BD 41 68A 36 41,-2.5 41,-2.4 -2,-0.4 2,-0.5 -0.972 11.5-174.3-116.7 121.2 14.4 27.1 12.6 28 28 A V E -BD 40 67A 0 12,-3.0 12,-2.9 -2,-0.5 2,-0.4 -0.966 2.8-172.4-121.3 121.4 17.3 26.1 10.3 29 29 A N E -BD 39 66A 39 37,-3.0 37,-2.6 -2,-0.5 2,-0.6 -0.929 6.9-161.3-113.5 137.0 18.1 22.5 9.4 30 30 A V E -BD 38 65A 0 8,-2.8 7,-3.3 -2,-0.4 8,-1.4 -0.965 7.6-165.3-117.8 115.3 21.1 21.4 7.5 31 31 A L E -BD 36 64A 42 33,-3.0 33,-2.6 -2,-0.6 2,-0.5 -0.894 1.0-165.9-104.7 126.9 21.0 18.0 6.0 32 32 A V E > S-BD 35 63A 15 3,-2.6 3,-1.2 -2,-0.5 31,-0.2 -0.956 77.6 -12.6-113.0 123.1 24.2 16.4 4.7 33 33 A N T 3 S- 0 0 44 29,-2.9 -1,-0.2 -2,-0.5 30,-0.1 0.917 131.5 -53.0 50.5 48.8 23.9 13.4 2.5 34 34 A N T 3 S+ 0 0 120 -3,-0.2 2,-0.4 28,-0.2 -1,-0.3 0.647 119.6 102.4 63.8 22.1 20.2 13.1 3.5 35 35 A E E < S-B 32 0A 57 -3,-1.2 -3,-2.6 -5,-0.0 -1,-0.1 -0.996 80.3-108.7-135.7 128.7 20.8 13.1 7.3 36 36 A T E +B 31 0A 85 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.345 41.2 168.0 -56.1 125.4 20.3 16.1 9.6 37 37 A A E + 0 0 40 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.555 62.9 16.8-115.9 -18.4 23.8 17.3 10.6 38 38 A A E -B 30 0A 5 -8,-1.4 -8,-2.8 2,-0.0 -1,-0.4 -0.979 56.2-170.6-156.2 145.4 23.0 20.7 12.2 39 39 A T E -B 29 0A 79 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.971 7.4-172.8-142.5 122.7 19.9 22.4 13.6 40 40 A F E +B 28 0A 13 -12,-2.9 -12,-3.0 -2,-0.4 2,-0.3 -0.895 3.9 180.0-116.5 147.4 19.8 26.1 14.6 41 41 A S E +B 27 0A 79 9,-0.6 2,-0.3 -2,-0.4 -14,-0.2 -0.977 24.3 118.5-146.1 129.6 16.9 27.8 16.4 42 42 A G E -B 26 0A 16 -16,-1.8 -16,-3.4 -2,-0.3 2,-0.4 -0.982 42.9-125.9-177.6 171.0 16.8 31.5 17.4 43 43 A Q E + 0 0 88 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.994 30.1 151.5-137.6 140.1 15.2 34.9 17.0 44 44 A S E -B 22 0A 10 -22,-0.6 -22,-2.7 -2,-0.4 3,-0.1 -0.933 31.2-169.5-166.1 143.9 16.7 38.3 16.2 45 45 A T E S+B 21 0A 82 -2,-0.3 -24,-0.2 -24,-0.3 -22,-0.1 -0.186 91.7 63.5-122.6 30.9 15.6 41.5 14.6 46 46 A N E S- 0 0 82 -26,-0.6 -25,-0.2 -24,-0.1 -1,-0.1 0.042 116.5 -99.9-144.5 24.2 19.2 42.7 14.5 47 47 A N E + 0 0 2 -27,-1.2 -26,-0.2 1,-0.2 120,-0.1 0.715 64.1 169.2 62.3 24.2 20.9 40.2 12.2 48 48 A A E - 0 0 39 -28,-0.5 -28,-1.6 -29,-0.1 2,-0.4 -0.300 42.7-103.3 -68.7 150.5 22.2 38.2 15.1 49 49 A V E -B 19 0A 46 -30,-0.2 -30,-0.3 1,-0.2 3,-0.1 -0.599 34.0-177.9 -71.9 126.0 23.8 34.8 14.6 50 50 A I E - 0 0 25 -32,-2.7 -9,-0.6 1,-0.4 2,-0.2 0.423 69.3 -5.1-104.8 -1.2 21.4 32.1 15.7 51 51 A G E -B 18 0A 13 -33,-1.0 -33,-2.7 -11,-0.2 -1,-0.4 -0.840 55.1-178.7 175.7 146.0 23.7 29.3 15.0 52 52 A T E +B 17 0A 59 -2,-0.2 2,-0.3 -35,-0.2 -35,-0.2 -0.933 14.8 159.7-156.7 133.2 27.2 28.5 13.5 53 53 A Q E -B 16 0A 83 -37,-2.4 -37,-2.0 -2,-0.3 2,-0.5 -0.992 34.9-127.4-156.8 146.4 28.9 25.1 13.1 54 54 A V E -B 15 0A 30 -2,-0.3 -39,-0.2 -39,-0.2 2,-0.2 -0.878 36.3-178.2 -99.5 126.4 31.7 23.6 11.1 55 55 A L E -B 14 0A 20 -41,-3.0 -41,-2.7 -2,-0.5 2,-0.4 -0.707 25.9-120.3-119.2 170.4 30.6 20.4 9.3 56 56 A N E -B 13 0A 85 -43,-0.2 -43,-0.2 -2,-0.2 5,-0.1 -0.941 13.3-141.8-113.7 134.0 32.1 17.7 7.0 57 57 A S > - 0 0 0 -45,-2.7 4,-1.5 -2,-0.4 3,-0.4 0.623 38.4-158.4 -70.0 -13.1 30.7 17.2 3.5 58 58 A G T 4 - 0 0 21 1,-0.2 -47,-2.9 -46,-0.2 -46,-0.2 -0.229 44.0 -40.8 70.2-157.1 31.2 13.5 3.9 59 59 A S T 4 S+ 0 0 108 -49,-0.2 -1,-0.2 1,-0.1 -49,-0.2 0.800 137.4 31.6 -80.2 -29.1 31.5 11.1 1.0 60 60 A S T 4 S- 0 0 76 -3,-0.4 -2,-0.2 2,-0.1 -50,-0.1 0.780 84.8-142.4-100.2 -35.3 28.8 12.5 -1.3 61 61 A G < + 0 0 0 -4,-1.5 -53,-3.1 1,-0.3 2,-0.5 0.553 42.6 150.7 84.1 6.5 28.8 16.2 -0.6 62 62 A K E +A 7 0A 68 -55,-0.2 -29,-2.9 -5,-0.2 2,-0.4 -0.630 19.3 179.5 -76.2 122.5 25.0 16.8 -0.8 63 63 A V E -AD 6 32A 0 -57,-2.5 -57,-3.0 -2,-0.5 2,-0.4 -0.990 4.7-179.1-127.2 126.7 24.0 19.7 1.4 64 64 A Q E -AD 5 31A 45 -33,-2.6 -33,-3.0 -2,-0.4 2,-0.4 -0.990 13.1-153.0-130.6 132.8 20.4 20.9 1.8 65 65 A V E - D 0 30A 0 -61,-2.7 2,-0.4 -2,-0.4 -35,-0.2 -0.874 10.6-172.9-104.9 132.3 19.1 23.8 3.9 66 66 A Q E - D 0 29A 84 -37,-2.6 -37,-3.0 -2,-0.4 2,-0.4 -0.990 2.8-168.1-124.3 132.1 15.6 23.8 5.2 67 67 A V E + D 0 28A 3 -2,-0.4 7,-2.8 7,-0.3 2,-0.3 -0.979 9.9 170.7-124.4 134.6 14.1 26.8 7.0 68 68 A S E -ED 73 27A 30 -41,-2.4 -41,-2.5 -2,-0.4 2,-0.4 -0.980 19.3-156.3-141.1 152.2 10.8 26.9 8.9 69 69 A V E > S-E 72 0A 20 3,-2.5 3,-1.9 -2,-0.3 -43,-0.1 -0.977 82.6 -17.8-132.8 117.1 9.0 29.4 11.2 70 70 A N T 3 S- 0 0 146 -45,-0.5 -1,-0.1 -2,-0.4 -44,-0.1 0.891 130.9 -49.6 52.9 43.5 6.5 28.0 13.7 71 71 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -44,-0.0 0, 0.0 0.286 116.1 112.2 83.4 -10.0 6.2 24.8 11.7 72 72 A R E < -E 69 0A 79 -3,-1.9 -3,-2.5 24,-0.0 -1,-0.2 -0.855 69.3-120.7-102.6 124.6 5.7 26.5 8.3 73 73 A P E -E 68 0A 100 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.311 25.2-133.6 -61.2 139.8 8.5 26.2 5.7 74 74 A S - 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