==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 09-JAN-07 2JDH . COMPND 2 MOLECULE: FUCOSE-BINDING LECTIN PA-IIL; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.MAROTTE,C.SABIN,C.PREVILLE,M.PYMBOCK,I.DEGUISE, . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 66.7 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 . 29 6.4 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 49 0, 0.0 428,-0.1 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 152.8 12.7 -15.4 17.0 2 2 A T - 0 0 84 427,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.347 360.0-170.0 -59.4 141.0 15.8 -16.7 15.2 3 3 A Q + 0 0 29 1,-0.1 3,-0.1 62,-0.1 73,-0.1 -0.937 57.0 36.2-134.7 156.5 18.9 -14.5 15.7 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.7 1,-0.2 2,-0.4 0.586 84.1 117.8 79.1 13.4 22.3 -14.3 14.2 5 5 A V E +A 64 0A 20 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.939 37.3 174.3-115.1 132.1 21.1 -15.3 10.7 6 6 A F E -A 63 0A 4 57,-3.0 57,-2.7 -2,-0.4 2,-0.7 -0.995 27.6-141.2-137.4 139.5 21.5 -12.9 7.8 7 7 A T E -A 62 0A 79 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.883 27.0-173.7 -99.5 111.9 20.8 -13.1 4.1 8 8 A L - 0 0 5 53,-3.1 3,-0.1 -2,-0.7 6,-0.0 -0.583 40.0 -82.4 -91.5 162.1 23.6 -11.3 2.2 9 9 A P > - 0 0 62 0, 0.0 3,-0.8 0, 0.0 48,-0.2 -0.385 65.0 -92.2 -57.8 144.8 23.6 -10.6 -1.5 10 10 A A T 3 S+ 0 0 45 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.257 101.0 8.7 -63.8 149.7 24.9 -13.7 -3.2 11 11 A N T 3 S+ 0 0 99 47,-2.5 2,-0.4 1,-0.2 -1,-0.2 0.791 93.7 140.6 59.0 37.7 28.6 -14.3 -4.0 12 12 A T < - 0 0 33 -3,-0.8 45,-2.4 46,-0.2 -1,-0.2 -0.924 51.7-124.8-120.4 132.1 29.6 -11.2 -2.0 13 13 A R E +B 56 0A 144 -2,-0.4 100,-0.4 43,-0.2 2,-0.3 -0.506 33.9 178.0 -72.2 141.0 32.7 -10.8 0.2 14 14 A F E -B 55 0A 0 41,-2.5 41,-2.5 -2,-0.2 2,-0.3 -0.977 25.5-124.0-140.3 153.9 32.1 -9.7 3.7 15 15 A G E -BC 54 110A 0 95,-2.7 95,-1.9 -2,-0.3 2,-0.4 -0.779 20.5-168.7 -94.1 147.4 34.1 -9.0 6.8 16 16 A V E +BC 53 109A 0 37,-2.5 37,-2.2 -2,-0.3 2,-0.4 -0.992 8.8 175.2-135.6 131.0 33.5 -10.8 10.1 17 17 A T E -BC 52 108A 0 91,-2.2 91,-2.8 -2,-0.4 2,-0.4 -0.996 11.2-158.5-138.7 134.9 35.1 -9.7 13.3 18 18 A A E -BC 51 107A 0 33,-2.5 32,-2.3 -2,-0.4 33,-1.1 -0.953 3.9-168.4-122.6 142.1 34.6 -11.0 16.9 19 19 A F E -BC 49 106A 1 87,-2.8 87,-2.4 -2,-0.4 2,-0.4 -0.903 12.7-142.3-122.4 147.9 35.3 -9.3 20.2 20 20 A A E +BC 48 105A 0 28,-1.8 27,-1.1 -2,-0.3 28,-0.6 -0.928 24.3 165.8-118.8 140.8 35.2 -11.0 23.7 21 21 A N E + 0 0 0 83,-2.3 24,-0.3 -2,-0.4 2,-0.3 -0.561 49.7 81.2-146.1 72.3 34.0 -9.5 27.0 22 22 A S E S-B 44 0A 5 22,-2.8 22,-0.5 2,-0.1 24,-0.1 -0.980 79.0-112.8-167.6 155.9 33.7 -12.4 29.5 23 23 A S E S+ 0 0 109 -2,-0.3 2,-0.2 20,-0.1 22,-0.1 0.782 96.3 80.0 -63.2 -26.6 35.6 -14.6 31.9 24 24 A G E S- 0 0 17 20,-0.1 2,-0.4 1,-0.1 20,-0.4 -0.528 90.0-107.0 -92.9 151.8 34.8 -17.5 29.6 25 25 A T E - 0 0 80 -2,-0.2 45,-0.6 18,-0.1 2,-0.4 -0.588 36.7-145.2 -73.3 126.0 36.5 -18.6 26.4 26 26 A Q E -BD 42 69A 0 16,-2.7 16,-1.8 -2,-0.4 2,-0.5 -0.754 11.8-164.6 -94.0 135.8 34.2 -17.8 23.4 27 27 A T E -BD 41 68A 47 41,-2.6 41,-2.7 -2,-0.4 2,-0.5 -0.989 9.5-168.0-115.1 123.6 34.0 -19.9 20.3 28 28 A V E -BD 40 67A 0 12,-2.9 12,-2.6 -2,-0.5 2,-0.5 -0.947 0.8-165.8-113.0 121.5 32.4 -18.2 17.4 29 29 A N E -BD 39 66A 39 37,-2.8 37,-2.6 -2,-0.5 2,-0.5 -0.920 4.4-159.1-107.5 132.3 31.4 -20.2 14.4 30 30 A V E -BD 38 65A 0 8,-3.0 7,-3.6 -2,-0.5 8,-1.6 -0.962 11.9-162.4-109.0 120.3 30.5 -18.5 11.1 31 31 A L E -BD 36 64A 18 33,-3.3 33,-2.4 -2,-0.5 2,-0.4 -0.858 10.4-169.7-105.4 140.2 28.4 -20.6 8.8 32 32 A V E > S-BD 35 63A 23 3,-2.8 3,-1.2 -2,-0.4 31,-0.2 -0.999 82.9 -6.7-123.6 127.3 27.9 -20.0 5.1 33 33 A N T 3 S- 0 0 83 29,-2.3 -1,-0.1 -2,-0.4 30,-0.1 0.856 131.5 -57.9 53.5 41.4 25.2 -22.1 3.4 34 34 A N T 3 S+ 0 0 84 28,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.683 117.3 102.2 63.7 27.4 24.9 -24.1 6.6 35 35 A E E < S-B 32 0A 143 -3,-1.2 -3,-2.8 -5,-0.0 -1,-0.2 -0.999 83.1 -98.0-137.5 144.5 28.5 -25.2 6.9 36 36 A T E +B 31 0A 84 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.333 41.8 170.7 -62.8 125.3 31.1 -23.8 9.1 37 37 A A E + 0 0 44 -7,-3.6 2,-0.3 1,-0.4 -6,-0.2 0.637 66.0 6.2-108.2 -27.0 33.3 -21.3 7.1 38 38 A A E -B 30 0A 8 -8,-1.6 -8,-3.0 2,-0.0 -1,-0.4 -0.978 58.0-161.0-155.0 151.6 35.4 -19.8 9.9 39 39 A T E -B 29 0A 77 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.996 8.9-174.7-138.5 130.1 35.9 -20.4 13.6 40 40 A F E +B 28 0A 13 -12,-2.6 -12,-2.9 -2,-0.4 2,-0.3 -0.912 6.0 178.0-116.6 149.5 37.3 -17.8 16.1 41 41 A S E +B 27 0A 74 9,-0.7 2,-0.3 -2,-0.3 -14,-0.2 -0.995 15.3 117.2-150.3 151.5 38.1 -18.4 19.7 42 42 A G E -B 26 0A 18 -16,-1.8 -16,-2.7 -2,-0.3 2,-0.4 -0.946 43.2-113.6 172.6 176.4 39.6 -16.5 22.6 43 43 A Q E + 0 0 99 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.997 38.6 142.5-136.2 132.2 39.1 -15.0 26.1 44 44 A S E -B 22 0A 13 -22,-0.5 -22,-2.8 -2,-0.4 3,-0.2 -0.947 36.7-163.6-160.8 147.1 39.1 -11.4 27.1 45 45 A T E S+ 0 0 56 -24,-0.3 -24,-0.1 -2,-0.3 -22,-0.1 0.135 92.4 64.6-108.2 16.2 37.4 -9.1 29.5 46 46 A N E S- 0 0 86 -26,-0.2 -25,-0.2 -24,-0.1 -1,-0.1 -0.095 116.2 -97.1-132.5 34.0 38.7 -6.0 27.5 47 47 A N E + 0 0 3 -27,-1.1 -26,-0.2 -3,-0.2 -2,-0.0 0.742 58.0 178.0 62.6 26.9 37.0 -6.3 24.1 48 48 A A E -B 20 0A 43 -28,-0.6 -28,-1.8 1,-0.1 2,-0.7 -0.344 37.3-112.0 -61.2 145.8 40.0 -8.0 22.4 49 49 A V E -B 19 0A 48 -30,-0.2 -30,-0.3 1,-0.2 3,-0.1 -0.682 33.4-176.2 -75.3 113.6 39.5 -9.0 18.8 50 50 A I E - 0 0 26 -32,-2.3 -9,-0.7 -2,-0.7 2,-0.3 0.567 65.5 -9.3 -93.0 -7.0 39.5 -12.8 19.0 51 51 A G E -B 18 0A 13 -33,-1.1 -33,-2.5 -11,-0.2 -1,-0.3 -0.891 52.6-175.6-177.9 154.4 39.2 -13.2 15.2 52 52 A T E +B 17 0A 63 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.953 18.9 156.1-154.4 141.4 38.7 -11.3 11.9 53 53 A Q E -B 16 0A 84 -37,-2.2 -37,-2.5 -2,-0.3 2,-0.5 -0.985 37.2-121.9-160.3 157.0 38.4 -12.7 8.4 54 54 A V E +B 15 0A 54 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.952 37.0 174.3-107.1 132.1 37.0 -12.0 5.0 55 55 A L E -B 14 0A 20 -41,-2.5 -41,-2.5 -2,-0.5 2,-0.4 -0.820 30.9-116.5-128.4 164.3 34.6 -14.6 3.6 56 56 A N E -B 13 0A 61 -2,-0.3 -43,-0.2 -43,-0.2 -45,-0.1 -0.916 15.2-141.6-101.6 133.6 32.3 -15.1 0.5 57 57 A S > - 0 0 0 -45,-2.4 4,-0.9 -2,-0.4 3,-0.3 0.612 41.7-152.7 -68.2 -14.5 28.5 -15.3 1.1 58 58 A G T 4 - 0 0 20 1,-0.2 -47,-2.5 2,-0.2 3,-0.4 0.060 38.6 -42.3 69.3-174.1 28.3 -17.9 -1.6 59 59 A S T 4 S+ 0 0 96 1,-0.2 -1,-0.2 -49,-0.2 -49,-0.1 0.826 138.4 37.8 -63.7 -33.4 25.4 -18.8 -3.9 60 60 A S T 4 S- 0 0 50 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.639 91.6-139.5 -93.1 -13.8 22.7 -18.6 -1.3 61 61 A G < + 0 0 0 -4,-0.9 -53,-3.1 -3,-0.4 2,-0.6 0.466 50.2 146.8 68.3 3.9 24.0 -15.6 0.7 62 62 A K E +A 7 0A 66 -55,-0.2 -29,-2.3 -5,-0.1 2,-0.4 -0.595 20.3 175.3 -84.4 120.6 23.0 -17.3 4.0 63 63 A V E -AD 6 32A 0 -57,-2.7 -57,-3.0 -2,-0.6 2,-0.4 -0.965 4.9-175.3-122.9 133.5 25.4 -16.4 6.8 64 64 A Q E -AD 5 31A 36 -33,-2.4 -33,-3.3 -2,-0.4 2,-0.5 -0.996 12.9-153.0-132.8 139.8 24.9 -17.5 10.4 65 65 A V E - 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0 0 13 -7,-0.1 -1,-0.1 128,-0.0 -6,-0.1 0.689 49.6-153.8 -83.0 -18.5 25.1 -7.6 29.3 102 102 A Y + 0 0 13 1,-0.1 -8,-1.1 -9,-0.1 -7,-0.2 0.667 67.1 101.3 59.5 21.5 25.0 -9.5 25.9 103 103 A N B +i 94 0A 0 -10,-0.2 3,-0.3 -82,-0.2 -8,-0.2 0.249 36.9 110.8-114.2 11.3 28.6 -8.5 25.1 104 104 A D S S+ 0 0 4 -10,-1.8 -83,-2.3 1,-0.3 2,-0.4 0.904 100.2 7.3 -66.0 -41.2 30.3 -11.8 26.0 105 105 A A E S-C 20 0A 0 -11,-0.5 2,-0.5 -85,-0.2 -11,-0.4 -0.977 79.2-168.9-126.5 128.9 31.1 -12.3 22.3 106 106 A V E -C 19 0A 0 -87,-2.4 -87,-2.8 -2,-0.4 2,-0.4 -0.968 5.5-166.2-112.5 130.1 30.2 -9.4 20.0 107 107 A V E -CH 18 92A 0 -15,-2.6 -15,-2.5 -2,-0.5 2,-0.5 -0.976 6.1-168.8-123.1 131.0 30.3 -10.1 16.3 108 108 A V E -CH 17 91A 0 -91,-2.8 -91,-2.2 -2,-0.4 2,-0.4 -0.976 1.5-173.2-119.6 125.0 30.3 -7.5 13.5 109 109 A I E -CH 16 90A 1 -19,-2.8 -19,-2.9 -2,-0.5 2,-0.4 -0.950 12.1-177.8-110.4 134.2 29.7 -8.4 9.8 110 110 A N E -CH 15 89A 0 -95,-1.9 -95,-2.7 -2,-0.4 -21,-0.2 -0.991 7.5-140.9-137.1 145.2 30.2 -5.7 7.3 111 111 A W E + H 0 88A 10 -23,-1.8 -23,-2.8 -2,-0.4 2,-0.1 -0.970 58.4 36.7-159.2 162.5 29.8 -5.4 3.5 112 112 A P - 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