==== 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 10-JAN-07 2JDK . 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) . 16007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 66.4 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 . 241 52.9 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 . 27 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 3.7 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 5 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 48 0, 0.0 428,-0.1 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 153.4 12.8 -15.4 17.0 2 2 A T - 0 0 87 427,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.333 360.0-169.6 -58.4 142.0 15.8 -16.7 15.2 3 3 A Q + 0 0 31 1,-0.1 3,-0.1 62,-0.1 73,-0.1 -0.944 57.1 36.0-134.5 156.9 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,-0.5 0.584 83.6 117.7 79.1 11.6 22.3 -14.4 14.2 5 5 A V E +A 64 0A 21 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.953 37.4 174.8-113.6 131.1 21.1 -15.3 10.7 6 6 A F E -A 63 0A 3 57,-3.0 57,-2.8 -2,-0.5 2,-0.7 -0.995 27.2-141.0-137.0 139.3 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 -0.878 27.2-173.3 -99.5 111.7 20.9 -13.1 4.1 8 8 A L - 0 0 5 53,-2.9 3,-0.1 -2,-0.7 6,-0.0 -0.592 39.7 -83.0 -91.4 161.6 23.7 -11.3 2.2 9 9 A P > - 0 0 62 0, 0.0 3,-0.8 0, 0.0 48,-0.2 -0.393 65.1 -92.5 -56.9 143.5 23.7 -10.6 -1.5 10 10 A A T 3 S+ 0 0 47 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.229 100.9 8.6 -62.0 150.3 25.0 -13.7 -3.2 11 11 A N T 3 S+ 0 0 100 47,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.810 93.5 141.0 57.3 38.9 28.6 -14.3 -4.0 12 12 A T < - 0 0 33 -3,-0.8 45,-2.5 46,-0.2 -1,-0.2 -0.921 51.7-124.0-119.1 132.5 29.7 -11.2 -2.0 13 13 A R E +B 56 0A 137 -2,-0.4 100,-0.4 43,-0.2 2,-0.3 -0.499 34.9 177.6 -72.3 143.1 32.8 -10.8 0.2 14 14 A F E -B 55 0A 0 41,-2.5 41,-2.6 -2,-0.2 2,-0.3 -0.978 25.5-124.3-142.3 153.8 32.2 -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 -0.782 19.9-168.5 -95.3 147.1 34.2 -9.1 6.8 16 16 A V E +BC 53 109A 0 37,-2.4 37,-2.2 -2,-0.3 2,-0.4 -0.995 8.6 175.6-136.3 131.1 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 -0.998 10.8-159.0-138.1 133.4 35.2 -9.7 13.4 18 18 A A E -BC 51 107A 0 33,-2.6 32,-2.2 -2,-0.4 33,-1.2 -0.955 3.9-168.7-122.1 141.7 34.6 -11.0 16.9 19 19 A F E -BC 49 106A 1 87,-2.7 87,-2.4 -2,-0.4 2,-0.4 -0.907 12.6-142.1-122.2 148.9 35.3 -9.4 20.3 20 20 A A E +BC 48 105A 0 28,-1.8 27,-1.2 -2,-0.3 28,-0.5 -0.920 24.4 165.8-119.2 142.1 35.3 -11.0 23.8 21 21 A N E + 0 0 0 83,-2.4 24,-0.3 -2,-0.4 2,-0.3 -0.550 50.1 81.9-147.0 72.0 34.0 -9.6 27.1 22 22 A S E S-B 44 0A 5 22,-2.7 22,-0.5 2,-0.1 24,-0.1 -0.977 78.8-113.9-167.6 154.8 33.7 -12.4 29.6 23 23 A S E S+ 0 0 108 -2,-0.3 2,-0.2 20,-0.1 22,-0.1 0.778 96.1 79.8 -61.1 -28.3 35.6 -14.7 32.0 24 24 A G E S- 0 0 17 20,-0.1 2,-0.4 1,-0.1 20,-0.4 -0.547 90.3-106.3 -93.1 151.4 34.8 -17.6 29.7 25 25 A T E - 0 0 79 -2,-0.2 45,-0.6 18,-0.1 2,-0.4 -0.598 36.8-145.0 -72.2 125.1 36.5 -18.6 26.5 26 26 A Q E -BD 42 69A 0 16,-2.7 16,-1.7 -2,-0.4 2,-0.5 -0.759 12.1-164.8 -93.5 135.1 34.3 -17.8 23.5 27 27 A T E -BD 41 68A 48 41,-2.5 41,-2.6 -2,-0.4 2,-0.5 -0.987 9.6-168.4-115.4 121.4 34.0 -20.0 20.4 28 28 A V E -BD 40 67A 0 12,-2.9 12,-2.5 -2,-0.5 2,-0.5 -0.943 0.9-166.1-113.0 119.8 32.4 -18.2 17.5 29 29 A N E -BD 39 66A 37 37,-2.7 37,-2.6 -2,-0.5 2,-0.6 -0.920 4.4-159.5-105.3 133.0 31.4 -20.2 14.4 30 30 A V E -BD 38 65A 0 8,-2.9 7,-3.5 -2,-0.5 8,-1.5 -0.970 12.0-162.4-111.8 118.1 30.5 -18.5 11.2 31 31 A L E -BD 36 64A 18 33,-3.2 33,-2.3 -2,-0.6 2,-0.4 -0.816 10.6-169.8-102.4 139.6 28.5 -20.6 8.8 32 32 A V E > S-BD 35 63A 23 3,-2.7 3,-1.3 -2,-0.4 31,-0.2 -1.000 82.7 -6.2-124.8 126.5 28.0 -20.0 5.1 33 33 A N T 3 S- 0 0 83 29,-2.1 -1,-0.1 -2,-0.4 30,-0.1 0.864 130.9 -58.8 53.2 42.7 25.3 -22.2 3.4 34 34 A N T 3 S+ 0 0 85 28,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.714 117.9 103.6 63.3 25.0 24.9 -24.1 6.6 35 35 A E E < S-B 32 0A 144 -3,-1.3 -3,-2.7 -5,-0.0 -1,-0.2 -0.993 82.6 -98.6-130.4 146.4 28.5 -25.3 6.8 36 36 A T E +B 31 0A 85 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.411 41.6 170.3 -64.8 126.6 31.2 -23.8 9.0 37 37 A A E + 0 0 45 -7,-3.5 2,-0.3 1,-0.4 -6,-0.2 0.594 65.6 5.6-109.5 -24.6 33.4 -21.3 7.1 38 38 A A E -B 30 0A 8 -8,-1.5 -8,-2.9 2,-0.0 -1,-0.4 -0.972 56.9-161.2-157.4 150.2 35.4 -19.8 10.0 39 39 A T E -B 29 0A 76 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.993 9.1-175.0-136.3 131.1 35.9 -20.4 13.7 40 40 A F E +B 28 0A 13 -12,-2.5 -12,-2.9 -2,-0.4 2,-0.3 -0.910 6.0 177.9-117.3 150.8 37.4 -17.9 16.1 41 41 A S E +B 27 0A 75 9,-0.7 2,-0.3 -2,-0.3 -14,-0.2 -0.996 15.3 115.8-150.4 151.8 38.2 -18.4 19.8 42 42 A G E -B 26 0A 18 -16,-1.7 -16,-2.7 -2,-0.3 2,-0.4 -0.952 43.6-112.4 170.3 176.7 39.6 -16.6 22.7 43 43 A Q E + 0 0 101 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.997 38.6 142.8-136.1 130.9 39.1 -15.1 26.1 44 44 A S E -B 22 0A 13 -22,-0.5 -22,-2.7 -2,-0.4 3,-0.2 -0.943 36.0-163.6-159.1 147.4 39.2 -11.4 27.2 45 45 A T E S+ 0 0 55 -24,-0.3 -24,-0.1 -2,-0.3 -22,-0.1 0.123 92.3 64.8-107.9 15.6 37.4 -9.1 29.6 46 46 A N E S- 0 0 86 -26,-0.2 -25,-0.2 -24,-0.1 -1,-0.1 -0.075 116.1 -97.2-131.8 32.1 38.7 -6.1 27.6 47 47 A N E + 0 0 3 -27,-1.2 -26,-0.2 -3,-0.2 -2,-0.0 0.727 58.4 177.0 64.4 25.5 37.1 -6.3 24.2 48 48 A A E -B 20 0A 44 -28,-0.5 -28,-1.8 -29,-0.1 2,-0.7 -0.321 37.9-111.4 -61.5 147.1 40.0 -8.0 22.5 49 49 A V E -B 19 0A 47 -30,-0.2 -30,-0.3 1,-0.2 3,-0.1 -0.675 33.1-175.7 -74.7 114.1 39.6 -9.0 18.9 50 50 A I E - 0 0 25 -32,-2.2 -9,-0.7 -2,-0.7 2,-0.3 0.561 65.3 -11.0 -93.9 -8.1 39.5 -12.8 19.0 51 51 A G E -B 18 0A 13 -33,-1.2 -33,-2.6 -11,-0.2 -1,-0.3 -0.895 52.4-174.6-178.8 155.1 39.3 -13.2 15.2 52 52 A T E +B 17 0A 64 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.925 18.5 157.3-155.8 137.2 38.7 -11.4 12.0 53 53 A Q E -B 16 0A 84 -37,-2.2 -37,-2.4 -2,-0.3 2,-0.5 -0.976 36.9-122.1-155.8 158.1 38.4 -12.8 8.4 54 54 A V E +B 15 0A 40 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.952 37.6 173.7-107.3 129.6 37.1 -12.0 5.0 55 55 A L E -B 14 0A 19 -41,-2.6 -41,-2.5 -2,-0.5 2,-0.4 -0.836 30.8-117.2-127.9 165.8 34.7 -14.6 3.6 56 56 A N E -B 13 0A 58 -2,-0.3 -43,-0.2 -43,-0.2 -45,-0.1 -0.920 14.5-141.6-104.0 135.2 32.4 -15.0 0.6 57 57 A S > - 0 0 0 -45,-2.5 4,-0.9 -2,-0.4 3,-0.3 0.609 41.4-154.7 -70.2 -14.3 28.6 -15.3 1.1 58 58 A G T 4 - 0 0 21 1,-0.2 -47,-2.6 2,-0.2 3,-0.5 0.042 39.8 -40.1 65.8-172.2 28.4 -17.9 -1.7 59 59 A S T 4 S+ 0 0 94 1,-0.2 -1,-0.2 -49,-0.2 -49,-0.1 0.820 138.3 37.6 -63.9 -34.1 25.5 -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 0.649 90.7-139.8 -90.6 -18.1 22.7 -18.6 -1.3 61 61 A G < + 0 0 0 -4,-0.9 -53,-2.9 -3,-0.5 2,-0.6 0.450 50.3 147.0 70.3 2.8 24.0 -15.6 0.7 62 62 A K E +A 7 0A 68 -55,-0.2 -29,-2.1 -5,-0.2 2,-0.4 -0.585 20.8 176.1 -83.1 119.7 23.0 -17.3 4.0 63 63 A V E -AD 6 32A 0 -57,-2.8 -57,-3.0 -2,-0.6 2,-0.4 -0.960 4.7-174.9-120.7 133.8 25.4 -16.4 6.8 64 64 A Q E -AD 5 31A 35 -33,-2.3 -33,-3.2 -2,-0.4 2,-0.5 -0.992 12.3-153.9-132.8 138.0 24.9 -17.5 10.4 65 65 A V E - 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0 0 13 -7,-0.0 -1,-0.1 128,-0.0 -6,-0.1 0.715 49.4-154.0 -82.2 -19.8 25.1 -7.7 29.3 102 102 A Y + 0 0 12 1,-0.1 -8,-0.8 -9,-0.1 -7,-0.2 0.690 66.9 101.5 57.4 26.6 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 0.220 37.0 111.2-117.4 13.0 28.6 -8.5 25.1 104 104 A D S S+ 0 0 5 -10,-1.8 -83,-2.4 1,-0.3 2,-0.4 0.902 100.0 6.8 -66.6 -41.5 30.3 -11.8 26.0 105 105 A A E S-C 20 0A 0 -11,-0.5 -11,-0.4 -85,-0.2 2,-0.4 -0.984 79.1-168.9-126.7 130.6 31.1 -12.3 22.3 106 106 A V E -C 19 0A 0 -87,-2.4 -87,-2.7 -2,-0.4 2,-0.4 -0.971 5.6-165.5-115.2 131.2 30.2 -9.4 20.0 107 107 A V E -CH 18 92A 0 -15,-2.6 -15,-2.5 -2,-0.4 2,-0.5 -0.981 5.6-168.2-124.6 131.2 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 -0.977 2.0-173.6-118.7 124.3 30.3 -7.5 13.5 109 109 A I E -CH 16 90A 0 -19,-2.8 -19,-2.7 -2,-0.5 2,-0.4 -0.950 11.8-177.8-111.3 135.0 29.8 -8.4 9.9 110 110 A N E -CH 15 89A 0 -95,-1.9 -95,-2.7 -2,-0.4 -21,-0.2 -0.991 7.3-141.5-137.4 145.4 30.2 -5.7 7.3 111 111 A W E + H 0 88A 11 -23,-1.8 -23,-2.7 -2,-0.4 2,-0.1 -0.971 58.2 37.0-159.7 162.3 29.8 -5.4 3.5 112 112 A P - 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