==== 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 11-JAN-07 2JDM . COMPND 2 MOLECULE: FUCOSE-BINDING LECTIN PA-IIL; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.ADAM,M.POKORNA,C.SABIN,E.P.MITCHELL,A.IMBERTY,M.WIMMEROVA . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 66.0 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 . 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 2 5 8 3 4 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 0 0 0 0 0 0 1 0 0 1 0 0 0 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, 0.0 428,-0.1 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 153.8 -13.6 -15.6 17.2 2 2 A T - 0 0 86 427,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.339 360.0-174.3 -59.7 137.4 -10.6 -16.8 15.3 3 3 A Q + 0 0 31 1,-0.1 3,-0.1 62,-0.1 73,-0.1 -0.952 55.1 39.0-133.1 156.8 -7.5 -14.6 15.7 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.6 1,-0.2 2,-0.5 0.560 83.5 117.7 84.6 9.3 -4.0 -14.5 14.2 5 5 A V E +A 64 0A 27 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.944 37.3 175.3-115.3 127.6 -5.3 -15.3 10.7 6 6 A F E -A 63 0A 4 57,-3.0 57,-2.7 -2,-0.5 2,-0.7 -0.992 27.5-140.1-134.8 137.6 -4.8 -12.8 7.8 7 7 A T E -A 62 0A 65 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.879 28.5-173.6 -93.9 112.4 -5.5 -12.9 4.1 8 8 A L - 0 0 6 53,-3.6 3,-0.1 -2,-0.7 2,-0.1 -0.588 39.5 -82.7 -94.5 162.4 -2.7 -11.2 2.2 9 9 A P > - 0 0 61 0, 0.0 3,-0.8 0, 0.0 48,-0.2 -0.453 63.9 -95.6 -61.2 141.4 -2.6 -10.4 -1.5 10 10 A A T 3 S+ 0 0 49 1,-0.2 49,-0.2 50,-0.1 48,-0.1 -0.220 100.3 8.6 -58.9 145.9 -1.4 -13.6 -3.2 11 11 A N T 3 S+ 0 0 104 47,-2.5 2,-0.4 1,-0.2 -1,-0.2 0.787 93.4 140.5 60.3 37.2 2.3 -14.1 -4.1 12 12 A T < - 0 0 35 -3,-0.8 45,-2.2 46,-0.2 -1,-0.2 -0.913 53.6-121.7-119.6 134.0 3.4 -11.0 -2.1 13 13 A R E +E 56 0B 152 -2,-0.4 100,-0.4 43,-0.2 2,-0.3 -0.509 36.9 179.8 -72.3 138.3 6.5 -10.6 0.0 14 14 A F E -E 55 0B 0 41,-2.8 41,-2.4 -2,-0.2 2,-0.4 -0.977 23.6-125.1-136.5 156.8 5.7 -9.6 3.7 15 15 A G E -EF 54 110B 0 95,-3.0 95,-2.0 -2,-0.3 2,-0.4 -0.788 19.7-170.2 -99.5 142.8 7.8 -9.0 6.8 16 16 A V E +EF 53 109B 0 37,-2.3 37,-2.0 -2,-0.4 2,-0.4 -0.991 8.5 172.9-135.4 128.4 7.2 -10.8 10.1 17 17 A T E -EF 52 108B 0 91,-2.2 91,-3.0 -2,-0.4 2,-0.3 -0.996 11.0-160.9-135.7 136.2 8.8 -9.7 13.4 18 18 A A E -EF 51 107B 0 33,-2.6 32,-1.9 -2,-0.4 33,-1.2 -0.947 3.5-169.1-124.9 146.0 8.3 -11.0 16.9 19 19 A F E -EF 49 106B 0 87,-2.5 87,-2.3 -2,-0.3 2,-0.4 -0.936 13.6-138.8-127.3 150.2 9.0 -9.5 20.4 20 20 A A E +EF 48 105B 0 28,-1.8 27,-1.2 -2,-0.3 28,-0.5 -0.904 24.6 166.6-116.4 142.5 8.9 -11.2 23.8 21 21 A N + 0 0 0 83,-2.2 24,-0.3 -2,-0.4 2,-0.3 -0.513 50.8 83.7-145.6 68.3 7.6 -9.7 27.1 22 22 A A S S- 0 0 4 22,-2.8 22,-0.5 82,-0.1 24,-0.1 -0.988 78.5-112.1-165.0 158.8 7.3 -12.7 29.5 23 23 A S S S+ 0 0 110 -2,-0.3 2,-0.2 20,-0.1 -1,-0.1 0.849 96.5 67.0 -65.8 -35.7 9.2 -14.9 32.0 24 24 A G S S- 0 0 22 1,-0.1 20,-0.3 20,-0.1 2,-0.2 -0.544 94.8 -94.7 -94.5 153.9 8.8 -18.0 29.7 25 25 A T - 0 0 78 -2,-0.2 45,-0.5 18,-0.1 2,-0.4 -0.416 39.1-143.6 -62.5 129.8 10.3 -18.8 26.3 26 26 A Q E -B 42 0A 0 16,-2.9 16,-1.6 -2,-0.2 2,-0.5 -0.821 9.3-161.3 -95.5 135.4 7.9 -17.9 23.5 27 27 A T E -BC 41 68A 45 41,-2.5 41,-2.4 -2,-0.4 2,-0.5 -0.975 9.2-167.9-114.4 121.8 7.7 -20.1 20.4 28 28 A V E -BC 40 67A 0 12,-3.5 12,-2.8 -2,-0.5 2,-0.4 -0.926 2.7-169.3-112.0 122.0 6.2 -18.3 17.4 29 29 A N E -BC 39 66A 38 37,-2.8 37,-2.4 -2,-0.5 2,-0.5 -0.931 5.3-160.5-109.2 136.0 5.1 -20.3 14.3 30 30 A V E -BC 38 65A 0 8,-2.8 7,-3.4 -2,-0.4 8,-1.6 -0.974 11.3-161.1-117.0 118.7 4.2 -18.5 11.1 31 31 A L E -BC 36 64A 18 33,-3.3 33,-2.2 -2,-0.5 2,-0.4 -0.788 9.1-167.4-102.9 138.8 2.1 -20.6 8.7 32 32 A V E > S-BC 35 63A 21 3,-2.8 3,-1.4 -2,-0.4 31,-0.2 -0.998 82.3 -9.1-123.6 127.4 1.6 -19.9 5.0 33 33 A N T 3 S- 0 0 79 29,-2.4 -1,-0.2 -2,-0.4 30,-0.1 0.909 131.9 -57.0 49.5 43.5 -1.1 -21.9 3.2 34 34 A N T 3 S+ 0 0 107 28,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.695 117.3 106.1 65.4 23.0 -1.4 -24.0 6.4 35 35 A E E < S-B 32 0A 141 -3,-1.4 -3,-2.8 -5,-0.0 2,-0.2 -0.997 81.7 -99.9-129.9 140.6 2.2 -25.1 6.5 36 36 A T E +B 31 0A 86 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.402 43.4 169.1 -60.6 122.1 4.9 -23.8 8.9 37 37 A A E + 0 0 40 -7,-3.4 2,-0.3 1,-0.4 -6,-0.2 0.653 64.8 9.0-105.4 -31.6 7.0 -21.2 7.0 38 38 A A E -B 30 0A 6 -8,-1.6 -8,-2.8 2,-0.0 2,-0.4 -0.987 57.8-162.2-149.6 148.5 9.0 -19.7 9.9 39 39 A T E -B 29 0A 80 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.993 9.9-176.7-134.6 127.8 9.6 -20.5 13.5 40 40 A F E +B 28 0A 13 -12,-2.8 -12,-3.5 -2,-0.4 2,-0.3 -0.960 3.4 177.4-117.4 143.8 11.0 -18.0 16.1 41 41 A S E +B 27 0A 76 9,-0.6 2,-0.3 -2,-0.4 -14,-0.2 -0.999 16.1 120.0-143.9 150.1 11.8 -18.6 19.7 42 42 A G E -B 26 0A 18 -16,-1.6 -16,-2.9 -2,-0.3 2,-0.4 -0.948 42.3-117.0 174.0 173.0 13.3 -16.6 22.6 43 43 A Q + 0 0 99 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.998 38.1 141.5-136.5 129.5 12.8 -15.2 26.0 44 44 A S - 0 0 14 -22,-0.5 -22,-2.8 -2,-0.4 3,-0.1 -0.957 36.0-165.6-162.1 146.2 12.8 -11.5 27.1 45 45 A T S S+ 0 0 57 -24,-0.3 -24,-0.2 -2,-0.3 -22,-0.1 0.068 92.7 65.7-113.0 15.6 10.9 -9.3 29.6 46 46 A N S S- 0 0 86 -26,-0.2 -25,-0.2 -24,-0.1 -1,-0.1 -0.099 117.4 -97.7-129.6 31.5 12.3 -6.3 27.7 47 47 A N + 0 0 5 -27,-1.2 -26,-0.2 1,-0.2 3,-0.0 0.733 59.1 177.3 63.6 21.7 10.7 -6.5 24.2 48 48 A A E -E 20 0B 43 -28,-0.5 -28,-1.8 -29,-0.1 2,-0.7 -0.285 37.2-110.7 -53.8 140.9 13.7 -8.2 22.6 49 49 A V E -E 19 0B 48 -30,-0.2 -30,-0.3 1,-0.2 3,-0.1 -0.697 32.8-175.8 -75.4 114.5 13.2 -9.2 19.0 50 50 A I E - 0 0 24 -32,-1.9 -9,-0.6 -2,-0.7 2,-0.2 0.508 65.6 -11.2 -95.5 -6.1 13.1 -13.0 19.0 51 51 A G E -E 18 0B 13 -33,-1.2 -33,-2.6 -11,-0.2 -1,-0.3 -0.844 50.7-173.8-179.9 157.0 12.9 -13.2 15.2 52 52 A T E +E 17 0B 66 -2,-0.2 2,-0.3 -35,-0.2 -35,-0.2 -0.966 20.0 155.7-153.4 142.0 12.4 -11.4 12.0 53 53 A Q E -E 16 0B 80 -37,-2.0 -37,-2.3 -2,-0.3 2,-0.5 -0.984 37.1-121.7-160.7 158.6 12.1 -12.7 8.5 54 54 A V E +E 15 0B 55 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.962 36.8 172.8-111.3 131.5 10.8 -12.0 5.0 55 55 A L E -E 14 0B 19 -41,-2.4 -41,-2.8 -2,-0.5 2,-0.4 -0.821 30.4-118.5-128.7 167.0 8.3 -14.6 3.6 56 56 A N E -E 13 0B 50 -2,-0.3 -43,-0.2 -43,-0.2 -46,-0.1 -0.938 15.3-138.8-110.4 136.8 6.0 -14.9 0.5 57 57 A S > - 0 0 0 -45,-2.2 4,-1.1 -2,-0.4 3,-0.3 0.631 41.9-154.1 -68.4 -16.5 2.3 -15.2 1.0 58 58 A G T 4 - 0 0 20 1,-0.2 -47,-2.5 2,-0.2 -46,-0.2 -0.037 40.6 -39.8 70.2-170.3 2.0 -17.8 -1.7 59 59 A S T 4 S+ 0 0 95 1,-0.2 -1,-0.2 -49,-0.2 -49,-0.1 0.812 138.5 37.5 -61.9 -35.9 -0.9 -18.8 -4.0 60 60 A S T 4 S- 0 0 47 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.747 91.1-138.5 -89.9 -26.4 -3.6 -18.5 -1.4 61 61 A G < + 0 0 0 -4,-1.1 -53,-3.6 1,-0.2 2,-0.7 0.463 51.0 147.8 76.7 7.5 -2.3 -15.5 0.6 62 62 A K E +A 7 0A 51 -55,-0.2 -29,-2.4 -5,-0.2 2,-0.4 -0.635 20.7 176.6 -87.8 111.9 -3.3 -17.2 3.9 63 63 A V E -AC 6 32A 0 -57,-2.7 -57,-3.0 -2,-0.7 2,-0.4 -0.931 4.0-176.4-118.7 132.4 -1.0 -16.3 6.8 64 64 A Q E -AC 5 31A 45 -33,-2.2 -33,-3.3 -2,-0.4 2,-0.4 -0.995 11.9-155.1-132.7 136.6 -1.5 -17.6 10.3 65 65 A V E + C 0 30A 0 -61,-2.6 2,-0.3 -2,-0.4 -35,-0.2 -0.927 14.2 179.8-108.5 133.2 0.4 -16.8 13.6 66 66 A Q E - C 0 29A 88 -37,-2.4 -37,-2.8 -2,-0.4 2,-0.4 -0.977 8.8-160.6-130.2 144.2 0.4 -19.3 16.5 67 67 A V E - C 0 28A 6 -2,-0.3 7,-2.9 7,-0.3 2,-0.4 -0.994 5.7-173.5-129.7 132.9 2.2 -18.9 19.8 68 68 A S E +DC 73 27A 42 -41,-2.4 -41,-2.5 -2,-0.4 2,-0.3 -0.974 4.8 176.3-125.0 136.4 3.2 -21.6 22.3 69 69 A V E > S-D 72 0A 11 3,-2.5 3,-1.8 -2,-0.4 -43,-0.1 -0.984 70.6 -6.9-139.6 132.7 4.7 -21.1 25.8 70 70 A N T 3 S- 0 0 147 -45,-0.5 -44,-0.1 -2,-0.3 -1,-0.0 0.762 131.7 -52.7 58.3 24.6 5.4 -23.8 28.4 71 71 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.477 119.2 94.0 94.8 4.8 3.7 -26.4 26.2 72 72 A R E < S-D 69 0A 175 -3,-1.8 -3,-2.5 24,-0.1 -1,-0.2 -0.978 77.3-107.9-133.4 141.1 0.4 -24.6 25.7 73 73 A P E -D 68 0A 114 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.423 37.6-127.0 -64.7 137.7 -1.0 -22.3 22.9 74 74 A S - 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0 0 14 -7,-0.1 -1,-0.1 128,-0.0 -6,-0.1 0.713 49.5-153.0 -77.4 -20.7 -1.3 -7.9 29.3 102 102 A Y + 0 0 11 1,-0.1 -8,-0.9 -9,-0.1 -7,-0.2 0.692 67.4 101.6 62.3 23.8 -1.3 -9.7 25.9 103 103 A N B +j 94 0B 0 -10,-0.2 3,-0.3 -82,-0.2 -8,-0.1 0.258 37.2 110.8-118.0 7.4 2.2 -8.7 25.1 104 104 A D S S+ 0 0 5 -10,-1.7 -83,-2.2 1,-0.3 2,-0.4 0.879 99.9 7.3 -62.1 -43.0 4.0 -12.0 26.0 105 105 A A E S-F 20 0B 0 -11,-0.5 2,-0.4 -85,-0.2 -11,-0.4 -0.970 79.8-168.0-130.5 127.9 4.7 -12.5 22.4 106 106 A V E -F 19 0B 0 -87,-2.3 -87,-2.5 -2,-0.4 2,-0.4 -0.959 5.2-164.8-114.6 129.0 3.9 -9.6 20.1 107 107 A V E -FI 18 92B 0 -15,-2.4 -15,-2.5 -2,-0.4 2,-0.5 -0.972 5.3-167.2-123.9 131.1 4.0 -10.2 16.3 108 108 A V E -FI 17 91B 0 -91,-3.0 -91,-2.2 -2,-0.4 2,-0.4 -0.978 2.3-172.9-121.2 121.4 4.0 -7.6 13.6 109 109 A I E -FI 16 90B 0 -19,-2.8 -19,-3.3 -2,-0.5 2,-0.4 -0.967 11.7-178.3-112.1 131.5 3.4 -8.4 9.9 110 110 A N E -FI 15 89B 0 -95,-2.0 -95,-3.0 -2,-0.4 -21,-0.2 -0.979 6.9-141.8-135.5 143.4 3.9 -5.7 7.4 111 111 A W E + I 0 88B 10 -23,-1.8 -23,-2.9 -2,-0.4 2,-0.1 -0.964 57.8 33.6-161.8 161.6 3.5 -5.4 3.6 112 112 A P - 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