==== 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 1OUX . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN LECB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.LORIS,D.TIELKER,K.-E.JAEGER,L.WYNS . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 67.8 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 . 246 53.9 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 . 4 0.9 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 . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 3.5 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 7 5 1 4 0 0 0 0 0 0 2 1 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 51 0, 0.0 428,-0.1 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 161.8 15.1 25.4 -9.2 2 2 A T - 0 0 85 427,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.294 360.0-175.3 -60.4 140.7 16.7 23.4 -6.3 3 3 A Q + 0 0 31 1,-0.1 3,-0.1 74,-0.1 73,-0.1 -0.957 52.7 35.5-139.0 155.7 18.5 25.6 -3.7 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.9 1,-0.2 2,-0.5 0.570 83.0 116.5 80.4 7.6 20.6 25.1 -0.6 5 5 A V E +A 64 0A 23 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.950 39.6 178.9-112.8 127.4 22.3 22.0 -2.0 6 6 A F E -A 63 0A 4 57,-3.0 57,-2.8 -2,-0.5 2,-0.9 -0.985 25.6-142.3-131.5 138.1 26.1 22.1 -2.5 7 7 A T E +A 62 0A 80 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.842 30.2 179.2 -99.8 101.3 28.6 19.5 -3.7 8 8 A L - 0 0 5 53,-2.7 3,-0.1 -2,-0.9 6,-0.0 -0.458 43.0 -78.2 -93.6 169.3 31.8 20.0 -1.7 9 9 A P > - 0 0 67 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 -0.364 65.3 -94.8 -62.3 155.6 34.9 18.0 -2.1 10 10 A A T 3 S+ 0 0 54 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.376 97.9 5.5 -76.3 151.7 34.4 14.6 -0.2 11 11 A N T 3 S+ 0 0 119 47,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.852 97.3 140.0 46.8 42.1 35.5 13.9 3.3 12 12 A T < - 0 0 41 -3,-0.7 45,-2.4 46,-0.2 2,-0.2 -0.916 53.5-121.1-118.0 141.6 36.5 17.6 3.7 13 13 A R E +B 56 0A 115 -2,-0.4 100,-0.4 43,-0.2 2,-0.3 -0.578 36.6 168.6 -80.7 142.1 36.0 19.9 6.7 14 14 A F E -B 55 0A 0 41,-2.3 41,-2.7 -2,-0.2 2,-0.4 -0.962 29.9-119.6-146.2 159.8 34.0 23.1 6.2 15 15 A G E -BC 54 110A 0 95,-2.5 95,-1.9 -2,-0.3 2,-0.5 -0.839 18.4-164.4-106.2 142.8 32.4 25.7 8.4 16 16 A V E +BC 53 109A 0 37,-2.6 37,-2.0 -2,-0.4 2,-0.4 -0.991 11.8 177.2-127.2 122.9 28.7 26.5 8.6 17 17 A T E -BC 52 108A 0 91,-2.5 91,-2.9 -2,-0.5 2,-0.4 -0.985 9.9-160.7-129.2 137.7 27.6 29.7 10.2 18 18 A A E -BC 51 107A 0 33,-2.7 32,-2.9 -2,-0.4 33,-1.0 -0.962 3.5-169.3-123.8 137.4 24.0 31.1 10.5 19 19 A F E -BC 49 106A 1 87,-3.0 87,-2.7 -2,-0.4 2,-0.4 -0.889 14.4-142.3-118.6 148.6 22.9 34.6 11.3 20 20 A A E +BC 48 105A 0 28,-1.9 27,-1.1 -2,-0.3 28,-0.5 -0.934 25.7 167.0-121.0 140.3 19.3 35.6 12.1 21 21 A N E +B 45 0A 0 83,-1.9 2,-0.3 -2,-0.4 24,-0.3 -0.563 50.7 87.4-144.3 70.4 17.2 38.7 11.1 22 22 A S E S-B 44 0A 8 22,-3.1 22,-0.7 82,-0.1 4,-0.1 -0.986 74.0-124.2-165.3 156.3 13.6 37.9 12.0 23 23 A S E S+ 0 0 112 -2,-0.3 2,-0.3 20,-0.1 22,-0.1 0.706 94.7 82.1 -76.6 -19.5 11.0 38.0 14.8 24 24 A G E S- 0 0 15 20,-0.1 2,-0.4 1,-0.1 20,-0.3 -0.622 91.7-108.7 -89.7 145.8 10.6 34.3 14.2 25 25 A T E - 0 0 69 -2,-0.3 45,-0.3 18,-0.1 2,-0.3 -0.584 36.1-138.6 -74.4 125.6 12.9 31.7 15.7 26 26 A Q E -B 42 0A 0 16,-3.1 16,-1.9 -2,-0.4 2,-0.6 -0.679 14.3-164.6 -91.7 136.4 15.0 30.1 13.0 27 27 A T E -BD 41 68A 36 41,-2.0 41,-2.1 -2,-0.3 2,-0.6 -0.957 9.9-168.1-120.0 109.5 15.8 26.4 12.8 28 28 A V E -BD 40 67A 0 12,-3.4 12,-2.6 -2,-0.6 2,-0.5 -0.885 0.9-166.9-103.4 116.1 18.7 25.7 10.4 29 29 A N E -BD 39 66A 38 37,-3.3 37,-2.5 -2,-0.6 2,-0.6 -0.878 3.2-166.2-104.2 129.6 19.3 22.1 9.5 30 30 A V E -BD 38 65A 0 8,-2.9 7,-3.1 -2,-0.5 8,-1.6 -0.961 9.3-164.3-116.3 115.5 22.5 21.1 7.8 31 31 A L E -BD 36 64A 22 33,-3.4 33,-2.5 -2,-0.6 2,-0.4 -0.817 5.9-169.1-103.4 140.3 22.4 17.6 6.2 32 32 A V E > S-BD 35 63A 16 3,-2.9 3,-1.1 -2,-0.4 31,-0.2 -0.996 77.3 -5.0-128.5 129.4 25.5 15.6 5.1 33 33 A N T 3 S- 0 0 69 29,-1.7 -1,-0.2 -2,-0.4 30,-0.1 0.915 132.4 -57.8 52.6 44.4 25.3 12.5 3.0 34 34 A N T 3 S+ 0 0 109 28,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.707 118.7 102.9 59.4 28.5 21.5 12.8 3.4 35 35 A E E < S-B 32 0A 58 -3,-1.1 -3,-2.9 -5,-0.0 2,-0.2 -1.000 82.6-103.3-138.1 134.7 21.4 12.8 7.2 36 36 A T E +B 31 0A 83 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.400 41.9 171.4 -57.9 123.2 21.0 15.7 9.5 37 37 A A E + 0 0 50 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.631 62.2 11.0-108.4 -22.2 24.5 16.5 10.8 38 38 A A E -B 30 0A 7 -8,-1.6 -8,-2.9 2,-0.0 2,-0.4 -0.990 55.7-164.5-157.6 149.3 23.9 19.8 12.6 39 39 A T E -B 29 0A 71 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.973 4.6-166.4-141.4 122.8 20.9 22.0 13.7 40 40 A F E -B 28 0A 16 -12,-2.6 -12,-3.4 -2,-0.4 2,-0.4 -0.929 6.4-175.2-111.3 132.9 21.1 25.6 14.8 41 41 A S E +B 27 0A 77 -2,-0.5 2,-0.3 9,-0.4 -14,-0.2 -0.993 24.0 121.2-128.0 130.1 18.1 27.2 16.6 42 42 A G E -B 26 0A 16 -16,-1.9 -16,-3.1 -2,-0.4 2,-0.4 -0.989 41.7-131.0-174.0 169.9 18.0 30.9 17.5 43 43 A Q E + 0 0 97 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.998 31.6 144.0-138.7 139.0 16.2 34.3 17.2 44 44 A S E -B 22 0A 14 -22,-0.7 -22,-3.1 -2,-0.4 3,-0.2 -0.924 32.8-164.6-170.7 145.8 17.6 37.7 16.5 45 45 A T E S+B 21 0A 78 -24,-0.3 -24,-0.2 -2,-0.3 -22,-0.1 -0.079 90.7 62.5-122.7 27.4 16.6 40.9 14.7 46 46 A N E S- 0 0 77 -26,-0.5 -25,-0.2 -24,-0.1 -1,-0.1 -0.019 116.6 -96.7-143.7 31.1 20.1 42.2 14.6 47 47 A N E + 0 0 2 -27,-1.1 -26,-0.2 1,-0.2 121,-0.1 0.707 63.5 168.9 61.4 24.5 22.1 39.7 12.6 48 48 A A E -B 20 0A 44 -28,-0.5 -28,-1.9 -29,-0.1 2,-0.3 -0.351 42.7-105.6 -67.3 146.9 23.3 37.8 15.6 49 49 A V E -B 19 0A 48 -30,-0.2 -30,-0.3 1,-0.1 3,-0.1 -0.564 33.4-176.0 -71.2 132.2 25.0 34.5 15.0 50 50 A I E - 0 0 26 -32,-2.9 -9,-0.4 1,-0.4 2,-0.2 0.399 67.0 -6.4-109.5 0.8 22.7 31.7 16.0 51 51 A G E -B 18 0A 13 -33,-1.0 -33,-2.7 -11,-0.1 -1,-0.4 -0.810 52.3-179.2 172.7 145.7 25.2 28.9 15.4 52 52 A T E +B 17 0A 60 -35,-0.2 2,-0.3 -2,-0.2 -35,-0.2 -0.922 19.1 152.4-157.5 130.5 28.6 28.1 14.0 53 53 A Q E -B 16 0A 88 -37,-2.0 -37,-2.6 -2,-0.3 2,-0.5 -0.979 39.3-116.9-155.9 163.2 30.3 24.7 13.7 54 54 A V E +B 15 0A 38 -2,-0.3 2,-0.2 -39,-0.2 -39,-0.2 -0.928 38.8 174.7-107.9 127.9 32.8 22.7 11.7 55 55 A L E -B 14 0A 19 -41,-2.7 -41,-2.3 -2,-0.5 2,-0.4 -0.772 30.4-116.7-127.4 172.5 31.6 19.6 9.9 56 56 A N E -B 13 0A 64 -2,-0.2 -43,-0.2 -43,-0.2 -45,-0.1 -0.936 20.1-135.2-112.3 134.1 32.8 17.0 7.4 57 57 A S > - 0 0 0 -45,-2.4 4,-1.0 -2,-0.4 -24,-0.3 0.423 41.5-136.0 -69.8 0.8 31.2 16.7 4.0 58 58 A G T 4 - 0 0 16 1,-0.2 -47,-2.6 2,-0.2 -46,-0.2 0.054 40.5 -50.6 70.4 176.2 30.8 13.0 4.0 59 59 A S T 4 S+ 0 0 97 1,-0.2 -1,-0.2 -49,-0.2 -49,-0.1 0.752 138.8 36.4 -60.4 -29.8 31.6 10.4 1.3 60 60 A S T 4 S- 0 0 61 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.679 98.4-131.3 -97.0 -21.6 29.6 12.2 -1.5 61 61 A G < + 0 0 0 -4,-1.0 -53,-2.7 1,-0.3 2,-0.4 0.389 55.7 147.6 86.2 -4.8 30.4 15.7 -0.4 62 62 A K E +A 7 0A 63 -55,-0.2 -29,-1.7 -57,-0.1 2,-0.4 -0.510 22.3 179.8 -69.8 122.2 26.8 16.6 -0.7 63 63 A V E -AD 6 32A 0 -57,-2.8 -57,-3.0 -2,-0.4 2,-0.4 -0.991 3.9-171.0-126.2 128.4 25.8 19.2 1.9 64 64 A Q E -AD 5 31A 40 -33,-2.5 -33,-3.4 -2,-0.4 2,-0.4 -0.977 9.2-157.3-127.4 133.7 22.2 20.6 2.1 65 65 A V E + D 0 30A 0 -61,-2.9 2,-0.4 -2,-0.4 -35,-0.2 -0.891 13.0 178.5-106.8 132.2 20.8 23.5 4.1 66 66 A Q E - 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0 0 13 -7,-0.1 -1,-0.1 128,-0.0 -6,-0.1 0.566 51.2-149.6 -92.5 -9.7 14.3 40.3 2.3 102 102 A Y S S+ 0 0 10 1,-0.1 -8,-0.5 -9,-0.1 -7,-0.2 0.756 70.1 101.6 46.9 34.3 15.7 36.7 2.4 103 103 A N B +i 94 0A 0 -10,-0.2 3,-0.3 -82,-0.2 -82,-0.3 0.322 37.2 107.8-122.0 1.2 17.8 37.5 5.5 104 104 A D S S+ 0 0 5 -10,-1.0 -83,-1.9 1,-0.3 2,-0.4 0.874 103.1 7.7 -48.9 -40.6 15.6 35.9 8.1 105 105 A A E S-CH 20 94A 0 -11,-0.8 -11,-0.6 -85,-0.2 2,-0.5 -0.937 79.1-170.0-143.7 114.5 18.2 33.2 8.4 106 106 A V E -CH 19 93A 0 -87,-2.7 -87,-3.0 -2,-0.4 2,-0.5 -0.946 6.4-166.8-110.6 127.0 21.5 33.7 6.5 107 107 A V E -CH 18 92A 0 -15,-2.6 -15,-2.6 -2,-0.5 2,-0.5 -0.963 6.3-169.1-121.9 129.7 23.9 30.8 6.2 108 108 A V E -CH 17 91A 1 -91,-2.9 -91,-2.5 -2,-0.5 2,-0.5 -0.964 0.5-170.9-119.0 126.7 27.5 30.9 5.1 109 109 A I E -CH 16 90A 0 -19,-2.6 -19,-2.9 -2,-0.5 2,-0.3 -0.962 13.9-178.6-114.6 129.7 29.5 27.8 4.4 110 110 A N E -CH 15 89A 1 -95,-1.9 -95,-2.5 -2,-0.5 -21,-0.2 -0.973 6.7-140.3-133.9 149.0 33.2 28.2 3.8 111 111 A W E + H 0 88A 10 -23,-1.6 -23,-2.4 -2,-0.3 2,-0.2 -0.959 61.6 38.3-165.8 158.1 36.2 26.0 3.0 112 112 A P - 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