==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 22-MAY-08 2VUD . COMPND 2 MOLECULE: FUCOSE-BINDING LECTIN PA-IIL; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.BEHA,K.MAROTTE,C.SABIN,E.P.MITCHELL,A.IMBERTY,R.ROY . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 67.3 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 . 239 52.4 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 . 31 6.8 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 7 2 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 52 0, 0.0 2,-0.2 0, 0.0 428,-0.1 0.000 360.0 360.0 360.0 152.2 13.1 -15.6 17.3 2 2 A T - 0 0 89 427,-0.2 2,-0.3 2,-0.0 3,-0.1 -0.526 360.0-170.5 -66.9 133.5 16.1 -16.9 15.3 3 3 A Q + 0 0 32 -2,-0.2 3,-0.1 1,-0.1 73,-0.1 -0.918 57.5 34.9-128.8 151.0 19.2 -14.6 15.9 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.2 1,-0.3 2,-0.5 0.533 83.4 120.1 84.8 10.6 22.6 -14.5 14.3 5 5 A V E +A 64 0A 26 59,-0.2 2,-0.4 -3,-0.1 -1,-0.3 -0.928 37.4 178.5-110.9 128.1 21.3 -15.4 10.8 6 6 A F E -A 63 0A 4 57,-3.2 57,-2.7 -2,-0.5 2,-0.7 -0.992 25.4-144.1-133.1 136.3 21.8 -13.0 7.9 7 7 A T E -A 62 0A 65 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.882 28.1-176.0 -97.6 107.5 21.0 -13.1 4.2 8 8 A L - 0 0 5 53,-3.1 3,-0.1 -2,-0.7 6,-0.0 -0.605 38.9 -82.4 -93.8 161.4 23.8 -11.3 2.3 9 9 A P > - 0 0 63 0, 0.0 3,-0.8 0, 0.0 48,-0.2 -0.379 63.6 -91.9 -60.8 142.3 23.9 -10.6 -1.5 10 10 A A T 3 S+ 0 0 51 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.254 101.0 5.1 -60.6 144.0 25.1 -13.8 -3.3 11 11 A N T 3 S+ 0 0 104 47,-3.2 2,-0.4 1,-0.2 -1,-0.2 0.816 93.1 138.9 54.5 42.7 28.9 -14.2 -4.0 12 12 A T < - 0 0 37 -3,-0.8 45,-1.9 46,-0.2 2,-0.3 -0.941 52.0-123.9-120.9 134.5 30.0 -11.1 -2.1 13 13 A R E -E 56 0B 147 -2,-0.4 100,-0.5 43,-0.2 2,-0.3 -0.617 32.8-178.0 -81.5 137.4 33.0 -10.9 0.2 14 14 A F E -E 55 0B 0 41,-2.5 41,-2.4 -2,-0.3 2,-0.4 -0.920 22.7-123.9-132.6 154.5 32.4 -9.8 3.8 15 15 A G E -EF 54 110B 0 95,-2.7 95,-1.9 -2,-0.3 2,-0.4 -0.801 20.7-168.0 -99.6 143.5 34.5 -9.1 6.9 16 16 A V E +EF 53 109B 0 37,-2.4 37,-2.3 -2,-0.4 2,-0.4 -0.990 7.5 176.6-134.1 127.5 33.9 -10.8 10.2 17 17 A T E -EF 52 108B 0 91,-2.2 91,-2.6 -2,-0.4 2,-0.4 -0.994 10.9-157.0-133.7 136.9 35.5 -9.7 13.5 18 18 A A E -EF 51 107B 0 33,-2.8 32,-1.6 -2,-0.4 33,-1.0 -0.929 4.9-169.3-122.0 137.4 35.1 -11.1 17.0 19 19 A F E -EF 49 106B 1 87,-3.0 87,-1.9 -2,-0.4 2,-0.4 -0.884 11.3-144.6-117.1 154.8 35.7 -9.5 20.5 20 20 A A E +EF 48 105B 1 28,-1.6 27,-1.0 -2,-0.3 28,-0.6 -0.964 23.7 164.9-124.2 136.5 35.7 -11.1 24.0 21 21 A N + 0 0 0 83,-2.0 2,-0.3 -2,-0.4 24,-0.3 -0.494 49.2 84.8-143.1 66.5 34.5 -9.7 27.4 22 22 A S S S- 0 0 5 22,-2.7 22,-0.5 82,-0.1 24,-0.1 -0.990 77.1-116.0-160.7 159.0 34.2 -12.6 29.8 23 23 A S S S+ 0 0 111 -2,-0.3 2,-0.2 20,-0.1 -1,-0.1 0.781 96.8 75.2 -66.9 -28.8 36.1 -14.9 32.3 24 24 A G S S- 0 0 21 20,-0.1 20,-0.3 1,-0.1 2,-0.3 -0.554 92.6-102.9 -93.1 151.7 35.4 -17.8 30.1 25 25 A T - 0 0 83 -2,-0.2 45,-0.6 18,-0.1 2,-0.4 -0.556 37.8-141.9 -70.7 128.5 37.0 -18.8 26.7 26 26 A Q E -BC 42 69A 0 16,-2.8 16,-1.6 -2,-0.3 2,-0.5 -0.727 12.0-163.7 -96.1 134.8 34.7 -17.9 23.8 27 27 A T E -BC 41 68A 50 41,-2.2 41,-2.4 -2,-0.4 2,-0.5 -0.965 9.7-170.0-116.7 114.3 34.4 -20.2 20.6 28 28 A V E -BC 40 67A 0 12,-2.8 12,-2.7 -2,-0.5 2,-0.4 -0.906 1.6-169.0-108.0 121.9 32.9 -18.4 17.6 29 29 A N E -BC 39 66A 41 37,-3.1 37,-2.5 -2,-0.5 2,-0.5 -0.938 5.6-159.9-109.5 133.3 31.8 -20.3 14.5 30 30 A V E -BC 38 65A 0 8,-2.9 7,-3.4 -2,-0.4 8,-1.6 -0.962 11.6-162.5-113.7 118.2 30.8 -18.6 11.3 31 31 A L E -BC 36 64A 19 33,-3.2 33,-2.2 -2,-0.5 2,-0.4 -0.822 9.4-168.3-102.9 139.6 28.8 -20.7 8.9 32 32 A V E > S-BC 35 63A 24 3,-2.9 3,-1.0 -2,-0.4 31,-0.2 -0.996 82.2 -7.4-126.0 122.4 28.2 -20.1 5.1 33 33 A N T 3 S- 0 0 84 29,-2.3 -1,-0.1 -2,-0.4 30,-0.1 0.892 131.9 -56.9 55.6 43.0 25.5 -22.2 3.4 34 34 A N T 3 S+ 0 0 110 28,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.665 118.2 103.8 65.6 21.8 25.1 -24.2 6.6 35 35 A E E < S-B 32 0A 138 -3,-1.0 -3,-2.9 -5,-0.0 2,-0.2 -0.991 81.5 -98.5-130.5 143.7 28.8 -25.3 6.8 36 36 A T E +B 31 0A 87 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.380 42.8 166.8 -62.8 122.7 31.6 -24.0 9.1 37 37 A A E + 0 0 45 -7,-3.4 2,-0.3 1,-0.4 -6,-0.2 0.693 64.8 11.7-107.7 -31.8 33.7 -21.4 7.2 38 38 A A E -B 30 0A 7 -8,-1.6 -8,-2.9 2,-0.0 -1,-0.4 -0.988 56.9-163.7-149.5 146.6 35.7 -19.8 10.1 39 39 A T E -B 29 0A 79 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.985 8.8-175.8-136.5 127.2 36.3 -20.5 13.8 40 40 A F E +B 28 0A 14 -12,-2.7 -12,-2.8 -2,-0.4 2,-0.3 -0.898 4.9 176.4-117.4 149.8 37.7 -18.1 16.3 41 41 A S E +B 27 0A 78 9,-0.6 2,-0.3 -2,-0.3 -14,-0.2 -0.996 16.1 110.1-151.6 150.0 38.6 -18.7 20.0 42 42 A G E -B 26 0A 19 -16,-1.6 -16,-2.8 -2,-0.3 2,-0.4 -0.945 44.5-108.1 165.4 176.5 40.2 -16.8 23.0 43 43 A Q + 0 0 99 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.996 38.7 139.6-136.9 132.3 39.7 -15.2 26.3 44 44 A S - 0 0 15 -22,-0.5 -22,-2.7 -2,-0.4 3,-0.2 -0.957 35.9-163.2-163.4 146.1 39.7 -11.5 27.5 45 45 A T S S+ 0 0 54 -24,-0.3 -24,-0.1 -2,-0.3 -22,-0.1 0.108 92.1 67.1-109.7 17.2 37.9 -9.2 29.8 46 46 A N S S- 0 0 84 -26,-0.3 -25,-0.2 183,-0.1 -1,-0.1 -0.095 115.0 -99.3-129.5 31.4 39.3 -6.2 27.9 47 47 A N + 0 0 3 -27,-1.0 -26,-0.2 -3,-0.2 -2,-0.0 0.742 59.4 173.7 59.0 29.7 37.6 -6.4 24.5 48 48 A A E -E 20 0B 46 -28,-0.6 -28,-1.6 1,-0.1 2,-0.7 -0.322 38.8-109.5 -66.2 147.7 40.5 -8.1 22.8 49 49 A V E -E 19 0B 47 -30,-0.2 -30,-0.2 1,-0.2 3,-0.1 -0.764 32.4-177.3 -79.6 114.4 40.1 -9.2 19.1 50 50 A I E - 0 0 31 -32,-1.6 -9,-0.6 -2,-0.7 2,-0.3 0.619 66.8 -8.4 -88.0 -12.7 40.0 -13.1 19.2 51 51 A G E -E 18 0B 12 -33,-1.0 -33,-2.8 -11,-0.2 2,-0.3 -0.918 51.4-174.8-176.8 151.1 39.7 -13.3 15.4 52 52 A T E +E 17 0B 64 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.968 19.0 159.1-151.5 140.7 39.2 -11.4 12.1 53 53 A Q E -E 16 0B 81 -37,-2.3 -37,-2.4 -2,-0.3 2,-0.5 -0.996 36.1-124.2-158.8 156.0 38.7 -12.8 8.6 54 54 A V E +E 15 0B 61 -2,-0.3 2,-0.2 -39,-0.2 -39,-0.2 -0.942 37.9 172.6-108.2 125.5 37.5 -12.1 5.1 55 55 A L E -E 14 0B 20 -41,-2.4 -41,-2.5 -2,-0.5 2,-0.4 -0.792 31.0-115.1-126.1 166.2 35.0 -14.7 3.6 56 56 A N E -E 13 0B 60 -2,-0.2 -43,-0.2 -43,-0.2 -46,-0.1 -0.856 13.4-143.4-104.1 138.0 32.7 -15.2 0.6 57 57 A S > - 0 0 0 -45,-1.9 4,-1.2 -2,-0.4 3,-0.2 0.706 41.0-155.3 -75.0 -18.9 28.9 -15.3 1.0 58 58 A G T 4 - 0 0 21 1,-0.2 -47,-3.2 2,-0.2 -46,-0.2 -0.140 39.2 -43.0 75.1-172.5 28.5 -18.0 -1.7 59 59 A S T 4 S+ 0 0 96 -49,-0.2 -1,-0.2 1,-0.2 -49,-0.1 0.841 139.1 36.8 -64.3 -34.3 25.6 -18.9 -4.0 60 60 A S T 4 S- 0 0 47 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.783 89.9-142.5 -91.6 -29.4 23.0 -18.6 -1.3 61 61 A G < + 0 0 0 -4,-1.2 -53,-3.1 1,-0.2 2,-0.6 0.475 48.1 147.5 78.0 4.2 24.3 -15.7 0.7 62 62 A K E +A 7 0A 63 -55,-0.2 -29,-2.3 -5,-0.2 2,-0.4 -0.631 21.7 178.7 -81.3 117.2 23.2 -17.3 4.0 63 63 A V E -AC 6 32A 0 -57,-2.7 -57,-3.2 -2,-0.6 2,-0.4 -0.974 4.3-174.9-121.9 131.3 25.6 -16.5 6.9 64 64 A Q E -AC 5 31A 44 -33,-2.2 -33,-3.2 -2,-0.4 2,-0.5 -0.982 11.6-155.0-129.4 137.9 25.2 -17.7 10.5 65 65 A V E - C 0 30A 0 -61,-2.2 2,-0.4 -2,-0.4 -35,-0.2 -0.951 14.3-179.5-109.6 131.5 27.1 -16.9 13.7 66 66 A Q E - C 0 29A 92 -37,-2.5 -37,-3.1 -2,-0.5 2,-0.4 -0.989 7.8-161.6-130.4 140.4 27.2 -19.3 16.7 67 67 A V E - 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