==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 21-SEP-04 1W8H . COMPND 2 MOLECULE: PSEUDOMONAS AERUGINOSA LECTIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.PERRET,C.SABIN,C.DUMON,M.BUDOVA,C.GAUTIER,O.GALANINA,S.ILI . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 65.4 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 . 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 . 24 5.3 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 52 0, 0.0 198,-0.1 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 150.1 -2.7 -2.2 -1.5 2 2 A T - 0 0 92 197,-0.2 2,-0.3 2,-0.0 76,-0.1 -0.340 360.0-170.2 -65.1 143.1 -3.8 -1.3 -5.0 3 3 A Q + 0 0 32 1,-0.1 3,-0.1 74,-0.1 73,-0.1 -0.950 58.7 36.0-132.7 155.4 -1.0 -1.5 -7.7 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.8 1,-0.2 2,-0.4 0.587 85.3 114.3 79.7 11.6 -0.9 -0.4 -11.3 5 5 A V E +A 64 0A 26 59,-0.2 2,-0.3 -3,-0.1 59,-0.2 -0.971 39.5 176.3-117.9 129.9 -3.1 2.7 -10.8 6 6 A F E -A 63 0A 5 57,-2.9 57,-3.1 -2,-0.4 2,-0.7 -0.994 26.6-139.8-136.1 143.1 -1.6 6.2 -11.3 7 7 A T E -A 62 0A 77 -2,-0.3 55,-0.2 55,-0.2 54,-0.1 -0.891 27.7-173.8-100.9 111.6 -2.9 9.8 -11.2 8 8 A L - 0 0 6 53,-3.4 3,-0.1 -2,-0.7 6,-0.0 -0.596 38.3 -84.3 -96.0 162.1 -1.4 11.8 -13.9 9 9 A P > - 0 0 62 0, 0.0 3,-0.6 0, 0.0 48,-0.2 -0.361 63.5 -92.9 -55.9 144.8 -1.8 15.5 -14.5 10 10 A A T 3 S+ 0 0 51 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.283 100.8 8.7 -65.2 149.9 -5.0 16.1 -16.4 11 11 A N T 3 S+ 0 0 112 47,-2.7 2,-0.4 1,-0.2 -1,-0.2 0.855 92.9 143.8 52.2 48.2 -5.0 16.3 -20.3 12 12 A T < - 0 0 32 -3,-0.6 45,-2.3 46,-0.2 2,-0.2 -0.960 49.4-128.5-125.2 129.3 -1.4 15.3 -20.5 13 13 A R E +B 56 0A 123 -2,-0.4 100,-0.5 43,-0.2 2,-0.3 -0.544 34.1 174.5 -76.6 140.4 0.2 13.1 -23.2 14 14 A F E -B 55 0A 0 41,-2.4 41,-2.6 -2,-0.2 2,-0.3 -0.982 27.2-122.5-145.3 151.9 2.2 10.1 -21.9 15 15 A G E -BC 54 110A 0 95,-2.5 95,-1.8 -2,-0.3 2,-0.4 -0.723 19.8-169.0 -95.0 143.8 4.1 7.2 -23.4 16 16 A V E +BC 53 109A 0 37,-2.4 37,-2.1 -2,-0.3 2,-0.3 -0.989 9.9 174.0-135.1 128.3 3.3 3.6 -22.4 17 17 A T E -BC 52 108A 0 91,-2.2 91,-2.6 -2,-0.4 2,-0.4 -0.983 11.7-157.8-134.1 141.5 5.6 0.7 -23.4 18 18 A A E -BC 51 107A 0 33,-2.4 32,-2.4 -2,-0.3 33,-1.1 -0.975 4.2-168.4-128.4 139.5 5.5 -3.0 -22.5 19 19 A F E -BC 49 106A 0 87,-2.6 87,-2.5 -2,-0.4 2,-0.4 -0.912 13.3-141.3-117.5 148.7 8.1 -5.7 -22.5 20 20 A A E +BC 48 105A 0 28,-1.8 27,-1.1 -2,-0.3 28,-0.6 -0.903 23.7 167.4-117.2 143.5 7.7 -9.5 -22.2 21 21 A N E + 0 0 0 83,-2.1 24,-0.3 -2,-0.4 2,-0.3 -0.521 51.0 80.2-147.2 70.4 9.8 -12.1 -20.3 22 22 A S E S-B 44 0A 7 22,-2.9 22,-0.6 2,-0.1 24,-0.1 -0.977 77.6-116.4-167.2 158.6 7.8 -15.3 -20.1 23 23 A S E S+ 0 0 109 -2,-0.3 2,-0.2 20,-0.1 22,-0.1 0.683 95.0 83.6 -75.1 -17.6 6.8 -18.4 -22.0 24 24 A G E S- 0 0 17 20,-0.1 2,-0.4 1,-0.1 20,-0.4 -0.606 90.8-108.6 -88.9 149.5 3.2 -17.2 -21.7 25 25 A T E - 0 0 58 -2,-0.2 45,-0.4 18,-0.1 2,-0.4 -0.611 37.1-140.6 -73.2 127.2 1.6 -14.7 -24.1 26 26 A Q E -B 42 0A 0 16,-2.9 16,-1.7 -2,-0.4 2,-0.5 -0.742 12.9-162.8 -95.8 137.1 1.1 -11.5 -22.2 27 27 A T E -BD 41 68A 39 41,-2.8 41,-2.4 -2,-0.4 2,-0.5 -0.977 11.1-171.2-117.3 115.1 -2.0 -9.3 -22.6 28 28 A V E -BD 40 67A 0 12,-2.9 12,-2.9 -2,-0.5 2,-0.4 -0.940 1.5-170.6-110.7 121.6 -1.5 -5.8 -21.4 29 29 A N E -BD 39 66A 31 37,-2.8 37,-2.5 -2,-0.5 2,-0.5 -0.911 6.4-160.8-112.5 138.4 -4.5 -3.4 -21.1 30 30 A V E -BD 38 65A 0 8,-2.7 7,-3.1 -2,-0.4 8,-1.6 -0.985 9.9-164.5-119.1 121.3 -4.2 0.3 -20.4 31 31 A L E -BD 36 64A 17 33,-3.2 33,-2.6 -2,-0.5 2,-0.5 -0.897 8.3-165.8-112.3 133.4 -7.3 2.1 -19.1 32 32 A V E > S-BD 35 63A 19 3,-2.6 3,-1.8 -2,-0.4 31,-0.2 -0.983 84.5 -11.3-118.7 122.0 -7.8 5.9 -19.0 33 33 A N T 3 S- 0 0 72 29,-2.2 -1,-0.2 -2,-0.5 30,-0.1 0.892 130.6 -57.0 49.3 46.2 -10.7 7.0 -16.8 34 34 A N T 3 S+ 0 0 103 28,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.439 116.7 111.1 65.4 6.9 -11.8 3.3 -16.7 35 35 A E E < S-B 32 0A 144 -3,-1.8 -3,-2.6 1,-0.0 2,-0.3 -0.898 77.7-107.0-108.1 140.9 -12.0 3.0 -20.5 36 36 A T E +B 31 0A 86 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.457 42.2 167.0 -66.1 122.8 -9.6 0.8 -22.5 37 37 A A E + 0 0 38 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.628 64.2 11.2-110.7 -26.0 -7.3 3.1 -24.3 38 38 A A E -B 30 0A 6 -8,-1.6 -8,-2.7 2,-0.0 -1,-0.4 -0.981 54.3-167.9-153.5 146.9 -4.6 0.6 -25.4 39 39 A T E -B 29 0A 78 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.990 9.1-172.0-135.4 128.0 -4.1 -3.2 -25.6 40 40 A F E -B 28 0A 14 -12,-2.9 -12,-2.9 -2,-0.4 2,-0.3 -0.942 2.9-176.2-117.5 143.3 -0.8 -4.9 -26.3 41 41 A S E +B 27 0A 77 9,-0.6 2,-0.3 -2,-0.4 -14,-0.2 -0.994 21.2 112.8-135.4 144.1 -0.2 -8.6 -26.9 42 42 A G E -B 26 0A 18 -16,-1.7 -16,-2.9 -2,-0.3 2,-0.4 -0.924 42.9-121.1 173.6 173.5 2.9 -10.7 -27.4 43 43 A Q E + 0 0 95 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.999 35.5 140.2-135.7 134.7 5.3 -13.3 -26.2 44 44 A S E -B 22 0A 15 -22,-0.6 -22,-2.9 -20,-0.4 3,-0.2 -0.948 35.5-162.7-163.1 147.8 9.1 -13.2 -25.5 45 45 A T E S+ 0 0 54 -24,-0.3 -24,-0.1 -2,-0.3 -22,-0.1 0.120 92.6 66.5-109.4 15.1 11.6 -14.5 -23.0 46 46 A N E S- 0 0 87 -26,-0.2 -25,-0.2 -24,-0.1 -1,-0.1 -0.088 117.3 -97.1-127.9 33.5 14.1 -11.9 -24.3 47 47 A N E + 0 0 4 -27,-1.1 -26,-0.2 1,-0.2 3,-0.0 0.737 58.9 177.8 60.2 29.1 12.5 -8.6 -23.2 48 48 A A E -B 20 0A 42 -28,-0.6 -28,-1.8 -29,-0.1 2,-0.6 -0.333 36.9-111.7 -60.0 141.8 10.9 -7.9 -26.6 49 49 A V E -B 19 0A 48 -30,-0.2 -30,-0.3 1,-0.2 3,-0.1 -0.666 33.3-176.9 -68.1 117.9 8.7 -4.7 -26.9 50 50 A I E - 0 0 25 -32,-2.4 -9,-0.6 -2,-0.6 2,-0.2 0.448 64.7 -12.4 -97.5 -4.5 5.2 -6.1 -27.3 51 51 A G E -B 18 0A 14 -33,-1.1 -33,-2.4 -11,-0.1 -1,-0.3 -0.836 51.3-172.2 176.2 153.6 3.8 -2.6 -27.7 52 52 A T E +B 17 0A 63 -2,-0.2 2,-0.3 -35,-0.2 -35,-0.2 -0.969 18.1 157.3-152.9 143.5 4.2 1.2 -27.4 53 53 A Q E -B 16 0A 83 -37,-2.1 -37,-2.4 -2,-0.3 2,-0.5 -0.987 36.0-123.0-161.2 156.2 1.8 4.1 -27.7 54 54 A V E +B 15 0A 33 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.944 36.6 174.4-107.4 129.8 1.2 7.7 -26.8 55 55 A L E -B 14 0A 19 -41,-2.6 -41,-2.4 -2,-0.5 2,-0.4 -0.813 28.7-120.2-126.5 168.2 -2.1 8.4 -25.0 56 56 A N E -B 13 0A 75 -2,-0.3 -43,-0.2 -43,-0.2 -45,-0.1 -0.955 13.2-140.2-114.5 136.0 -3.7 11.3 -23.3 57 57 A S > - 0 0 0 -45,-2.3 4,-1.4 -2,-0.4 3,-0.3 0.575 39.8-157.4 -72.4 -12.6 -4.6 11.3 -19.6 58 58 A G T 4 - 0 0 21 1,-0.2 -47,-2.7 2,-0.2 -46,-0.2 -0.042 43.2 -41.4 67.2-168.3 -7.9 13.1 -20.2 59 59 A S T 4 S+ 0 0 98 1,-0.2 -1,-0.2 -49,-0.2 -49,-0.1 0.789 138.8 42.3 -68.4 -28.8 -10.0 15.1 -17.7 60 60 A S T 4 S- 0 0 45 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.722 86.7-145.9 -90.0 -26.1 -9.5 12.6 -14.8 61 61 A G < + 0 0 0 -4,-1.4 -53,-3.4 1,-0.2 2,-0.5 0.488 48.2 145.6 65.0 4.6 -5.8 11.8 -15.2 62 62 A K E +A 7 0A 68 -5,-0.2 -29,-2.2 -55,-0.2 2,-0.4 -0.622 23.0 178.1 -79.1 120.9 -6.6 8.3 -14.0 63 63 A V E -AD 6 32A 0 -57,-3.1 -57,-2.9 -2,-0.5 2,-0.4 -0.977 3.1-177.3-122.8 132.1 -4.4 5.6 -15.7 64 64 A Q E -AD 5 31A 47 -33,-2.6 -33,-3.2 -2,-0.4 2,-0.4 -0.995 11.8-156.2-132.0 136.3 -4.5 1.9 -14.8 65 65 A V E - 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0 0 15 -7,-0.1 -1,-0.1 358,-0.0 -6,-0.1 0.667 50.1-151.9 -78.3 -17.6 10.5 -12.7 -10.9 102 102 A Y + 0 0 13 1,-0.1 -8,-0.9 -9,-0.1 -7,-0.2 0.694 68.1 102.4 58.1 21.7 7.7 -10.2 -11.6 103 103 A N B +i 94 0A 0 -10,-0.2 3,-0.2 -82,-0.2 -8,-0.2 0.291 36.7 110.6-111.3 9.0 9.1 -9.4 -15.1 104 104 A D S S+ 0 0 3 -10,-1.6 -83,-2.1 1,-0.3 2,-0.4 0.886 99.7 6.1 -63.2 -42.6 6.6 -11.5 -17.2 105 105 A A E S-C 20 0A 0 -11,-0.5 -11,-0.5 -85,-0.2 2,-0.4 -0.980 79.2-168.1-129.3 135.7 5.2 -8.3 -18.5 106 106 A V E -C 19 0A 0 -87,-2.5 -87,-2.6 -2,-0.4 2,-0.4 -0.971 3.7-164.5-122.2 130.4 6.9 -5.0 -17.6 107 107 A V E -CH 18 92A 1 -15,-2.6 -15,-2.7 -2,-0.4 2,-0.5 -0.972 5.1-169.2-124.9 130.7 5.2 -1.7 -18.3 108 108 A V E -CH 17 91A 1 -91,-2.6 -91,-2.2 -2,-0.4 2,-0.4 -0.987 1.4-171.9-120.2 123.4 6.9 1.7 -18.4 109 109 A I E -CH 16 90A 0 -19,-3.0 -19,-2.7 -2,-0.5 2,-0.4 -0.951 11.9-176.6-110.7 131.7 4.8 4.9 -18.5 110 110 A N E -CH 15 89A 0 -95,-1.8 -95,-2.5 -2,-0.4 -21,-0.2 -0.986 5.1-146.4-134.7 142.4 6.7 8.2 -19.0 111 111 A W E + H 0 88A 11 -23,-1.9 -23,-2.7 -2,-0.4 2,-0.1 -0.959 58.7 41.7-157.8 162.8 5.8 11.9 -19.1 112 112 A P - 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