==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 04-JUN-08 3DCQ . COMPND 2 MOLECULE: FUCOSE-BINDING LECTIN PA-IIL; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR E.M.JOHANSSON,S.A.CRUSZ,E.KOLOMIETS,L.BUTS,R.U.KADAM, . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15239.0 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 . 240 52.6 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 . 32 7.0 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 4 6 3 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 48 0, 0.0 428,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 152.4 15.4 30.6 -9.7 2 2 A T - 0 0 91 427,-0.2 2,-0.3 2,-0.0 3,-0.1 -0.381 360.0-173.4 -64.8 140.0 16.5 28.7 -6.7 3 3 A Q + 0 0 27 1,-0.1 3,-0.1 62,-0.1 73,-0.1 -0.930 56.5 38.5-133.7 157.1 18.6 30.7 -4.3 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.8 1,-0.2 2,-0.5 0.591 84.6 115.3 82.0 8.3 20.5 29.9 -1.2 5 5 A V E +A 64 0A 22 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.957 39.6 176.8-115.7 129.9 21.7 26.5 -2.5 6 6 A F E -A 63 0A 4 57,-3.0 57,-2.9 -2,-0.5 2,-0.8 -0.991 27.2-142.0-135.2 141.1 25.3 25.8 -3.1 7 7 A T E -A 62 0A 82 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.883 28.3-175.9-101.4 111.8 27.3 22.9 -4.2 8 8 A L - 0 0 5 53,-4.0 3,-0.1 -2,-0.8 2,-0.0 -0.563 40.7 -83.3 -97.3 168.7 30.6 22.8 -2.2 9 9 A P > - 0 0 65 0, 0.0 3,-0.7 0, 0.0 48,-0.2 -0.438 65.7 -91.8 -66.7 150.8 33.4 20.4 -2.7 10 10 A A T 3 S+ 0 0 51 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.251 100.5 7.5 -67.6 153.1 32.5 17.2 -0.7 11 11 A N T 3 S+ 0 0 106 47,-3.3 2,-0.4 1,-0.2 -1,-0.2 0.827 92.8 144.9 46.5 44.3 33.6 16.6 2.8 12 12 A T < - 0 0 33 -3,-0.7 45,-2.6 46,-0.3 2,-0.2 -0.928 49.6-128.1-116.4 131.8 35.0 20.1 3.1 13 13 A R E +B 56 0A 120 -2,-0.4 100,-0.5 43,-0.2 2,-0.3 -0.555 35.7 172.7 -75.9 140.2 34.8 22.3 6.2 14 14 A F E -B 55 0A 0 41,-2.7 41,-2.7 -2,-0.2 2,-0.3 -0.987 29.0-120.3-145.6 154.6 33.3 25.7 5.6 15 15 A G E -BC 54 110A 0 95,-2.7 95,-2.1 -2,-0.3 2,-0.4 -0.691 19.9-167.6 -95.6 149.2 32.3 28.6 7.8 16 16 A V E +BC 53 109A 0 37,-2.6 37,-1.9 -2,-0.3 2,-0.4 -0.988 10.5 175.6-134.9 125.8 28.8 30.0 7.9 17 17 A T E -BC 52 108A 0 91,-2.5 91,-2.9 -2,-0.4 2,-0.4 -0.997 11.5-158.0-133.9 136.2 28.1 33.3 9.5 18 18 A A E -BC 51 107A 0 33,-2.8 32,-2.5 -2,-0.4 33,-1.2 -0.949 4.5-168.9-121.6 140.0 24.8 35.2 9.7 19 19 A F E -BC 49 106A 0 87,-2.9 87,-2.6 -2,-0.4 2,-0.4 -0.893 13.1-141.2-120.6 151.2 24.2 38.9 10.3 20 20 A A E +BC 48 105A 0 28,-2.0 27,-1.2 -2,-0.3 28,-0.6 -0.932 24.7 166.7-120.1 140.6 20.9 40.6 11.1 21 21 A N E + 0 0 0 83,-2.1 24,-0.3 -2,-0.4 2,-0.3 -0.597 50.5 84.4-145.8 73.3 19.5 43.9 9.8 22 22 A S E S-B 44 0A 9 22,-3.0 22,-0.5 -2,-0.1 24,-0.1 -0.961 76.0-122.6-171.6 152.2 15.8 44.0 10.7 23 23 A S E S+ 0 0 106 -2,-0.3 2,-0.2 20,-0.1 22,-0.1 0.707 95.4 88.7 -70.9 -20.2 13.3 44.7 13.4 24 24 A G E S- 0 0 12 20,-0.1 20,-0.4 1,-0.1 2,-0.4 -0.569 90.1-111.9 -84.6 141.9 12.3 41.1 12.8 25 25 A T E - 0 0 64 -2,-0.2 45,-0.5 18,-0.2 2,-0.4 -0.570 35.9-144.3 -70.3 126.8 13.9 38.2 14.6 26 26 A Q E -BD 42 69A 0 16,-3.1 16,-1.8 -2,-0.4 2,-0.5 -0.773 15.0-168.2 -97.0 134.4 15.8 36.2 12.1 27 27 A T E -BD 41 68A 43 41,-2.1 41,-2.9 -2,-0.4 2,-0.5 -0.968 9.0-169.1-122.4 116.0 16.1 32.5 12.2 28 28 A V E -BD 40 67A 0 12,-3.6 12,-2.5 -2,-0.5 2,-0.4 -0.912 1.5-169.0-108.3 124.7 18.7 31.1 9.9 29 29 A N E -BD 39 66A 34 37,-2.8 37,-2.6 -2,-0.5 2,-0.6 -0.941 6.7-158.3-114.9 134.6 18.9 27.4 9.2 30 30 A V E -BD 38 65A 0 8,-2.9 7,-3.9 -2,-0.4 8,-1.2 -0.957 10.2-162.5-113.7 116.2 21.9 25.8 7.4 31 31 A L E -BD 36 64A 18 33,-3.4 33,-2.9 -2,-0.6 2,-0.5 -0.839 5.4-168.8-101.5 134.6 21.1 22.5 5.8 32 32 A V E > S-BD 35 63A 18 3,-2.8 3,-1.4 -2,-0.4 31,-0.2 -0.993 81.3 -8.1-123.4 123.2 23.9 20.1 4.8 33 33 A N T 3 S- 0 0 44 29,-2.4 -1,-0.2 -2,-0.5 30,-0.1 0.909 132.8 -57.0 56.0 41.2 22.9 17.1 2.7 34 34 A N T 3 S+ 0 0 109 28,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.598 117.6 106.7 67.4 15.4 19.2 18.2 3.3 35 35 A E E < S-B 32 0A 58 -3,-1.4 -3,-2.8 -5,-0.0 2,-0.3 -0.972 80.3-103.7-124.7 138.1 19.5 18.0 7.1 36 36 A T E +B 31 0A 82 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.420 42.5 168.2 -62.5 120.3 19.7 21.0 9.5 37 37 A A E + 0 0 40 -7,-3.9 2,-0.3 1,-0.3 -6,-0.2 0.538 64.0 12.0-110.1 -12.8 23.3 21.4 10.6 38 38 A A E -B 30 0A 6 -8,-1.2 -8,-2.9 2,-0.0 2,-0.4 -0.965 55.8-167.8-163.1 148.8 23.1 24.8 12.2 39 39 A T E -B 29 0A 76 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.987 6.4-176.3-144.3 130.2 20.5 27.3 13.3 40 40 A F E -B 28 0A 14 -12,-2.5 -12,-3.6 -2,-0.4 2,-0.4 -0.976 3.6-178.5-127.5 140.0 21.1 30.9 14.3 41 41 A S E +B 27 0A 70 9,-0.5 2,-0.3 -2,-0.4 -14,-0.2 -0.994 18.6 125.4-139.2 144.4 18.5 33.3 15.6 42 42 A G E -B 26 0A 19 -16,-1.8 -16,-3.1 -2,-0.4 2,-0.4 -0.940 42.4-124.8 176.9 165.8 18.7 36.9 16.7 43 43 A Q E + 0 0 99 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.985 39.6 140.5-135.8 123.0 17.4 40.3 16.1 44 44 A S E -B 22 0A 15 -22,-0.5 -22,-3.0 -2,-0.4 3,-0.2 -0.971 37.9-165.5-158.3 144.4 19.4 43.3 15.2 45 45 A T E S+ 0 0 48 -24,-0.3 -24,-0.2 -2,-0.3 184,-0.1 0.040 90.7 70.6-112.0 17.4 19.1 46.4 13.0 46 46 A N E S- 0 0 82 -26,-0.3 -25,-0.2 -24,-0.1 -1,-0.1 -0.005 114.6-100.9-125.7 29.0 22.9 46.8 13.4 47 47 A N E + 0 0 3 -27,-1.2 -26,-0.2 -3,-0.2 -2,-0.1 0.760 58.5 176.3 59.9 26.2 24.4 43.9 11.5 48 48 A A E -B 20 0A 45 -28,-0.6 -28,-2.0 -29,-0.1 2,-0.6 -0.297 37.8-113.7 -59.4 144.2 25.0 42.0 14.7 49 49 A V E -B 19 0A 48 -30,-0.2 -30,-0.3 1,-0.2 3,-0.1 -0.747 31.0-173.4 -78.7 121.2 26.4 38.5 14.0 50 50 A I E - 0 0 27 -32,-2.5 -9,-0.5 -2,-0.6 2,-0.2 0.530 64.9 -17.9 -93.7 -5.5 23.6 36.2 15.2 51 51 A G E -B 18 0A 13 -33,-1.2 -33,-2.8 -11,-0.2 2,-0.3 -0.844 49.9-167.7 171.2 151.7 25.7 33.2 14.7 52 52 A T E +B 17 0A 60 -35,-0.2 2,-0.3 -2,-0.2 -35,-0.2 -0.987 18.3 159.0-148.4 150.1 28.8 31.6 13.2 53 53 A Q E -B 16 0A 82 -37,-1.9 -37,-2.6 -2,-0.3 2,-0.5 -0.975 35.2-123.0-165.3 159.7 29.9 28.0 12.9 54 54 A V E +B 15 0A 28 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.968 35.5 177.9-113.7 127.4 32.1 25.7 10.9 55 55 A L E -B 14 0A 16 -41,-2.7 -41,-2.7 -2,-0.5 2,-0.5 -0.763 28.8-120.3-123.1 169.1 30.4 22.8 9.2 56 56 A N E -B 13 0A 74 -2,-0.3 -43,-0.2 -43,-0.2 -45,-0.1 -0.953 15.7-140.2-112.5 132.1 31.5 19.9 7.0 57 57 A S > - 0 0 0 -45,-2.6 4,-1.6 -2,-0.5 5,-0.3 0.584 39.2-153.8 -68.3 -10.8 29.8 19.8 3.6 58 58 A G T 4 - 0 0 18 1,-0.2 -47,-3.3 2,-0.2 -46,-0.3 0.012 42.2 -45.3 67.2-174.0 29.6 16.0 3.8 59 59 A S T 4 S+ 0 0 106 -49,-0.2 -1,-0.2 1,-0.2 -49,-0.1 0.871 138.7 47.4 -61.9 -37.5 29.5 13.5 0.9 60 60 A S T 4 S- 0 0 54 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.817 86.2-148.9 -74.7 -33.5 26.9 15.6 -1.1 61 61 A G < + 0 0 0 -4,-1.6 -53,-4.0 1,-0.3 2,-0.6 0.560 49.8 143.1 73.3 4.2 28.6 19.0 -0.7 62 62 A K E +A 7 0A 65 -5,-0.3 -29,-2.4 -55,-0.2 2,-0.4 -0.690 25.7 177.9 -84.8 120.5 25.1 20.3 -0.8 63 63 A V E -AD 6 32A 0 -57,-2.9 -57,-3.0 -2,-0.6 2,-0.4 -0.976 4.2-173.9-123.8 131.6 24.6 23.3 1.4 64 64 A Q E -AD 5 31A 45 -33,-2.9 -33,-3.4 -2,-0.4 2,-0.5 -0.983 10.8-155.5-130.1 137.1 21.3 25.2 1.7 65 65 A V E + D 0 30A 0 -61,-2.8 2,-0.4 -2,-0.4 -35,-0.2 -0.918 13.1 179.9-110.4 132.0 20.5 28.3 3.6 66 66 A Q E - 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0 0 19 -7,-0.1 -1,-0.1 128,-0.0 -6,-0.1 0.604 50.5-152.7 -88.5 -10.8 17.0 45.9 1.1 102 102 A Y + 0 0 12 1,-0.1 -8,-0.9 -9,-0.1 -7,-0.2 0.698 67.1 103.0 48.5 28.5 17.6 42.1 1.3 103 103 A N B +i 94 0A 0 -10,-0.2 3,-0.3 -82,-0.2 -82,-0.2 0.227 37.5 112.9-117.0 10.6 20.0 42.4 4.2 104 104 A D S S+ 0 0 3 -10,-1.5 -83,-2.1 1,-0.3 2,-0.4 0.888 99.1 6.1 -54.1 -41.7 17.5 41.2 6.9 105 105 A A E S-C 20 0A 0 -11,-0.6 2,-0.5 -85,-0.2 -11,-0.4 -0.972 80.1-166.7-139.7 121.4 19.6 38.2 7.4 106 106 A V E -C 19 0A 0 -87,-2.6 -87,-2.9 -2,-0.4 2,-0.5 -0.965 6.4-165.5-111.3 127.6 22.9 38.2 5.5 107 107 A V E -CH 18 92A 0 -15,-2.8 -15,-2.5 -2,-0.5 2,-0.5 -0.965 6.7-168.9-121.6 129.5 24.7 34.9 5.4 108 108 A V E -CH 17 91A 0 -91,-2.9 -91,-2.5 -2,-0.5 2,-0.4 -0.958 1.5-173.3-116.9 126.4 28.3 34.4 4.4 109 109 A I E -CH 16 90A 0 -19,-2.6 -19,-2.8 -2,-0.5 2,-0.4 -0.961 13.8-177.7-114.5 132.2 29.6 30.9 3.7 110 110 A N E -CH 15 89A 0 -95,-2.1 -95,-2.7 -2,-0.4 -21,-0.2 -0.995 5.4-145.3-137.2 144.5 33.3 30.7 3.1 111 111 A W E + H 0 88A 10 -23,-1.9 -23,-2.6 -2,-0.4 2,-0.1 -0.953 59.1 40.4-161.2 161.2 35.8 28.0 2.2 112 112 A P - 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