==== 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 1W8F . 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, . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15786.0 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 . 246 53.9 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 . 25 5.5 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 0 8 5 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 47 0, 0.0 428,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 158.0 8.2 -9.0 11.6 2 2 A T - 0 0 93 427,-0.1 2,-0.3 2,-0.0 76,-0.1 -0.387 360.0-169.6 -58.1 140.3 11.3 -8.9 13.7 3 3 A Q + 0 0 27 1,-0.1 3,-0.1 74,-0.1 73,-0.1 -0.946 54.9 36.8-133.8 155.4 11.8 -5.5 15.3 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.7 1,-0.2 2,-0.5 0.576 82.3 116.9 80.6 14.0 14.6 -3.8 17.2 5 5 A V E +A 64 0A 25 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.957 37.7 175.4-116.2 132.2 17.4 -5.4 15.2 6 6 A F E -A 63 0A 4 57,-3.0 57,-2.7 -2,-0.5 2,-0.7 -0.991 27.0-140.6-136.8 143.4 19.8 -3.3 13.2 7 7 A T E -A 62 0A 78 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.890 27.1-174.0-103.5 114.4 22.9 -3.9 11.2 8 8 A L - 0 0 7 53,-3.1 3,-0.1 -2,-0.7 6,-0.0 -0.616 37.7 -83.9 -94.0 163.7 25.4 -1.1 11.7 9 9 A P > - 0 0 59 0, 0.0 3,-0.7 0, 0.0 48,-0.2 -0.381 61.9 -93.2 -57.5 150.2 28.7 -0.7 9.9 10 10 A A T 3 S+ 0 0 48 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.228 99.4 8.4 -68.2 151.0 31.4 -2.7 11.5 11 11 A N T 3 S+ 0 0 111 47,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.824 93.8 139.8 56.4 38.4 33.7 -1.4 14.2 12 12 A T < - 0 0 35 -3,-0.7 45,-2.4 46,-0.2 2,-0.2 -0.938 52.1-125.9-120.5 133.2 31.8 1.8 14.5 13 13 A R E +E 56 0B 93 -2,-0.4 100,-0.4 43,-0.2 2,-0.3 -0.518 34.4 176.7 -73.1 143.3 30.9 3.8 17.6 14 14 A F E -E 55 0B 0 41,-2.5 41,-2.6 -2,-0.2 2,-0.4 -0.976 25.7-123.5-142.2 156.0 27.3 4.6 18.1 15 15 A G E -EF 54 110B 0 95,-2.7 95,-1.9 -2,-0.3 2,-0.4 -0.782 19.1-168.1 -98.0 145.7 25.1 6.2 20.7 16 16 A V E +EF 53 109B 0 37,-2.4 37,-2.2 -2,-0.4 2,-0.3 -0.995 10.2 174.9-134.0 130.1 22.2 4.5 22.4 17 17 A T E -EF 52 108B 0 91,-2.1 91,-2.6 -2,-0.4 2,-0.4 -0.991 12.2-156.4-138.1 137.3 19.7 6.5 24.5 18 18 A A E -EF 51 107B 0 33,-2.5 33,-1.1 -2,-0.3 32,-1.0 -0.958 3.8-167.3-124.1 143.1 16.4 5.4 26.2 19 19 A F E -EF 49 106B 0 87,-2.7 87,-2.5 -2,-0.4 2,-0.4 -0.933 12.2-143.5-123.3 145.4 13.4 7.4 27.2 20 20 A A E +EF 48 105B 1 28,-1.7 27,-1.3 -2,-0.3 28,-0.6 -0.900 25.0 163.8-118.9 138.7 10.5 6.3 29.5 21 21 A N + 0 0 0 83,-2.3 24,-0.3 -2,-0.4 2,-0.3 -0.524 49.4 81.6-147.0 72.3 6.8 7.1 29.3 22 22 A S S S- 0 0 7 22,-2.6 22,-0.4 2,-0.1 24,-0.1 -0.977 76.2-118.7-166.7 153.6 4.9 4.7 31.5 23 23 A S S S+ 0 0 106 -2,-0.3 2,-0.3 20,-0.1 22,-0.1 0.681 95.5 83.9 -71.8 -19.2 3.9 4.0 35.0 24 24 A G S S- 0 0 20 20,-0.1 2,-0.4 1,-0.1 20,-0.3 -0.655 92.2-108.6 -86.3 144.4 5.8 0.8 34.8 25 25 A T - 0 0 72 -2,-0.3 45,-0.6 18,-0.1 2,-0.3 -0.565 37.5-142.5 -71.1 125.8 9.6 0.6 35.3 26 26 A Q E -BC 42 69A 0 16,-2.6 16,-1.5 -2,-0.4 2,-0.4 -0.711 14.2-164.7 -89.3 143.2 11.2 0.0 32.0 27 27 A T E -BC 41 68A 41 41,-2.2 41,-2.4 -2,-0.3 2,-0.5 -0.991 8.6-168.0-126.9 119.7 14.3 -2.2 31.5 28 28 A V E -BC 40 67A 0 12,-2.9 12,-2.6 -2,-0.4 2,-0.4 -0.941 1.1-165.6-112.3 122.6 16.1 -1.8 28.2 29 29 A N E -BC 39 66A 40 37,-2.9 37,-2.3 -2,-0.5 2,-0.5 -0.904 2.4-162.3-106.9 133.5 18.7 -4.2 27.1 30 30 A V E -BC 38 65A 0 8,-2.7 7,-3.3 -2,-0.4 8,-1.5 -0.986 8.6-165.2-117.2 118.2 21.1 -3.5 24.2 31 31 A L E -BC 36 64A 23 33,-3.1 33,-2.6 -2,-0.5 2,-0.5 -0.890 6.7-163.1-103.1 136.2 22.8 -6.4 22.7 32 32 A V E > S-BC 35 63A 20 3,-2.6 3,-1.7 -2,-0.4 31,-0.2 -0.984 81.5 -13.5-120.7 120.7 25.9 -6.1 20.4 33 33 A N T 3 S- 0 0 49 29,-2.9 -1,-0.2 -2,-0.5 30,-0.1 0.896 132.2 -52.7 48.4 50.6 26.6 -9.2 18.4 34 34 A N T 3 S+ 0 0 99 28,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.507 118.3 98.5 76.0 10.3 24.2 -11.2 20.6 35 35 A E E < S-B 32 0A 152 -3,-1.7 -3,-2.6 -5,-0.0 -1,-0.1 -0.981 81.9 -97.8-126.8 143.4 25.6 -10.3 24.0 36 36 A T E +B 31 0A 89 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.299 43.0 166.6 -60.1 128.9 24.3 -7.7 26.4 37 37 A A E + 0 0 40 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.549 64.2 10.1-117.1 -25.6 26.4 -4.5 26.1 38 38 A A E -B 30 0A 7 -8,-1.5 -8,-2.7 2,-0.0 -1,-0.4 -0.968 55.3-165.4-154.8 151.6 24.2 -2.0 28.0 39 39 A T E -B 29 0A 76 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.989 9.4-175.1-141.2 131.0 21.2 -2.0 30.3 40 40 A F E +B 28 0A 13 -12,-2.6 -12,-2.9 -2,-0.4 2,-0.3 -0.912 4.3 176.4-123.9 150.6 19.1 0.9 31.2 41 41 A S E +B 27 0A 61 9,-0.6 2,-0.3 -2,-0.3 -14,-0.2 -0.997 14.1 121.2-152.5 150.1 16.2 1.2 33.6 42 42 A G E -B 26 0A 19 -16,-1.5 -16,-2.6 -2,-0.3 2,-0.3 -0.974 42.4-115.8 174.8-178.1 13.8 3.9 35.1 43 43 A Q + 0 0 102 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.908 42.2 138.5-145.5 114.7 10.3 5.0 35.5 44 44 A S - 0 0 19 -22,-0.4 -22,-2.6 -2,-0.3 3,-0.2 -0.986 39.0-161.2-152.7 147.2 8.8 8.2 34.2 45 45 A T S S+ 0 0 73 -2,-0.3 -24,-0.2 -24,-0.3 -22,-0.1 0.042 92.4 64.1-109.2 25.5 5.7 9.5 32.5 46 46 A N S S- 0 0 68 -26,-0.3 -25,-0.2 -24,-0.1 -1,-0.1 -0.072 117.6 -92.6-144.3 36.7 7.6 12.6 31.2 47 47 A N - 0 0 4 -27,-1.3 -26,-0.2 -3,-0.2 236,-0.1 0.716 54.4-175.0 69.2 28.4 10.2 11.3 28.8 48 48 A A E -E 20 0B 43 -28,-0.6 -28,-1.7 1,-0.1 2,-1.4 -0.239 31.4-121.8 -59.8 143.6 13.1 10.9 31.3 49 49 A V E -E 19 0B 42 -30,-0.2 -30,-0.3 1,-0.2 -1,-0.1 -0.703 33.9-179.2 -86.6 85.5 16.4 9.9 29.7 50 50 A I E - 0 0 32 -2,-1.4 -9,-0.6 -32,-1.0 2,-0.3 0.665 62.7 -3.9 -69.7 -18.7 16.9 6.7 31.7 51 51 A G E -E 18 0B 11 -33,-1.1 -33,-2.5 -11,-0.2 2,-0.3 -0.938 52.7-177.5-167.7 155.4 20.2 5.9 30.1 52 52 A T E +E 17 0B 65 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.956 17.8 162.7-153.0 140.0 22.6 7.0 27.4 53 53 A Q E -E 16 0B 78 -37,-2.2 -37,-2.4 -2,-0.3 2,-0.5 -0.991 34.4-126.0-157.0 153.1 25.8 5.3 26.3 54 54 A V E +E 15 0B 52 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.940 36.8 172.8-104.1 128.4 28.4 5.0 23.6 55 55 A L E -E 14 0B 22 -41,-2.6 -41,-2.5 -2,-0.5 2,-0.4 -0.801 30.1-119.8-127.5 166.9 29.1 1.5 22.3 56 56 A N E -E 13 0B 83 -2,-0.3 -43,-0.2 -43,-0.2 -45,-0.1 -0.947 13.5-141.5-111.0 132.2 31.1 -0.1 19.5 57 57 A S > - 0 0 0 -45,-2.4 4,-0.9 -2,-0.4 5,-0.2 0.581 38.7-156.7 -70.4 -13.6 29.3 -2.2 16.9 58 58 A G T 4 - 0 0 17 1,-0.2 -47,-2.6 2,-0.2 3,-0.3 0.009 41.4 -38.1 69.8-167.5 32.1 -4.7 16.7 59 59 A S T 4 S+ 0 0 94 1,-0.2 -1,-0.2 -49,-0.2 -49,-0.1 0.921 137.5 31.1 -65.9 -46.0 32.9 -7.0 13.9 60 60 A S T 4 S- 0 0 89 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.470 93.8-134.9 -96.7 -4.6 29.5 -8.0 12.6 61 61 A G < + 0 0 0 -4,-0.9 -53,-3.1 -3,-0.3 2,-0.5 0.553 47.1 154.5 68.6 13.0 27.7 -4.8 13.5 62 62 A K E +A 7 0A 66 -5,-0.2 -29,-2.9 -55,-0.2 2,-0.4 -0.634 15.8 176.9 -83.0 124.6 24.6 -6.5 14.9 63 63 A V E -AC 6 32A 0 -57,-2.7 -57,-3.0 -2,-0.5 2,-0.4 -0.987 3.5-176.4-126.0 131.9 22.7 -4.4 17.5 64 64 A Q E -AC 5 31A 35 -33,-2.6 -33,-3.1 -2,-0.4 2,-0.4 -0.990 10.4-156.9-130.5 137.4 19.5 -5.5 19.1 65 65 A V E + C 0 30A 0 -61,-2.7 2,-0.3 -2,-0.4 -35,-0.2 -0.935 12.7 179.3-111.5 131.8 17.2 -3.7 21.5 66 66 A Q E - C 0 29A 94 -37,-2.3 -37,-2.9 -2,-0.4 2,-0.4 -0.964 8.0-161.5-127.8 148.4 14.8 -5.5 23.9 67 67 A V E + C 0 28A 6 -2,-0.3 7,-2.9 7,-0.3 2,-0.3 -0.998 9.1 178.4-131.8 136.0 12.5 -4.0 26.5 68 68 A S E -DC 73 27A 26 -41,-2.4 -41,-2.2 -2,-0.4 2,-0.4 -0.957 13.5-162.6-136.1 155.1 10.8 -5.5 29.5 69 69 A V E > S-DC 72 26A 12 3,-2.2 3,-2.3 -2,-0.3 -43,-0.1 -0.994 83.1 -13.8-138.1 123.9 8.5 -4.4 32.2 70 70 A N T 3 S- 0 0 102 -45,-0.6 -1,-0.1 -2,-0.4 -44,-0.1 0.864 130.6 -53.6 46.1 46.6 8.1 -6.4 35.4 71 71 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -44,-0.0 -3,-0.0 0.432 114.6 117.3 77.0 -1.9 9.8 -9.4 33.6 72 72 A R E < -D 69 0A 149 -3,-2.3 -3,-2.2 24,-0.0 -1,-0.2 -0.875 67.9-120.5-103.3 123.1 7.4 -9.2 30.6 73 73 A P E -D 68 0A 120 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.335 26.0-134.4 -56.2 138.7 8.7 -8.4 27.1 74 74 A S - 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