==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 22-MAY-08 2VUC . COMPND 2 MOLECULE: FUCOSE-BINDING LECTIN PA-IIL; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.BEHA,K.MAROTTE,C.SABIN,E.P.MITCHELL,A.IMBERTY,R.ROY . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 67.3 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 . 31 6.8 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 50 0, 0.0 428,-0.1 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 153.0 12.7 -15.4 17.0 2 2 A T - 0 0 83 427,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.360 360.0-170.1 -60.8 139.8 15.7 -16.7 15.2 3 3 A Q + 0 0 30 1,-0.1 3,-0.1 62,-0.1 73,-0.1 -0.934 56.7 35.7-132.9 156.0 18.8 -14.5 15.7 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.6 1,-0.2 2,-0.4 0.572 83.6 117.4 79.1 12.4 22.2 -14.4 14.1 5 5 A V E +A 64 0A 22 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.941 37.8 175.4-114.3 130.4 21.0 -15.3 10.6 6 6 A F E -A 63 0A 4 57,-2.9 57,-2.7 -2,-0.4 2,-0.7 -0.997 27.5-140.5-136.8 141.9 21.4 -12.8 7.8 7 7 A T E -A 62 0A 78 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.890 27.4-174.2-100.5 112.8 20.7 -12.9 4.0 8 8 A L - 0 0 6 53,-3.0 3,-0.1 -2,-0.7 6,-0.0 -0.619 40.5 -82.0 -93.9 163.4 23.5 -11.1 2.2 9 9 A P > - 0 0 60 0, 0.0 3,-0.8 0, 0.0 48,-0.2 -0.388 64.5 -92.8 -58.2 144.5 23.6 -10.4 -1.5 10 10 A A T 3 S+ 0 0 47 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.225 101.7 8.5 -61.9 147.6 24.8 -13.6 -3.3 11 11 A N T 3 S+ 0 0 99 47,-2.7 2,-0.4 1,-0.2 -1,-0.2 0.786 93.7 140.5 58.5 35.7 28.4 -14.1 -4.1 12 12 A T < - 0 0 33 -3,-0.8 45,-2.5 46,-0.3 -1,-0.2 -0.916 51.5-125.0-118.3 132.2 29.5 -11.0 -2.1 13 13 A R E +B 56 0A 145 -2,-0.4 100,-0.4 43,-0.2 2,-0.3 -0.475 34.0 178.8 -73.1 141.1 32.6 -10.7 0.1 14 14 A F E -B 55 0A 0 41,-2.6 41,-2.5 -2,-0.2 2,-0.3 -0.977 25.4-122.5-140.3 153.1 32.0 -9.6 3.7 15 15 A G E -BC 54 110A 0 95,-2.7 95,-1.9 -2,-0.3 2,-0.4 -0.774 21.0-169.0 -92.6 143.8 34.0 -9.0 6.8 16 16 A V E +BC 53 109A 0 37,-2.4 37,-2.1 -2,-0.3 2,-0.4 -0.988 9.1 174.2-134.0 130.6 33.4 -10.8 10.0 17 17 A T E -BC 52 108A 0 91,-2.3 91,-2.7 -2,-0.4 2,-0.4 -0.996 11.6-159.0-138.1 134.5 35.0 -9.8 13.3 18 18 A A E -BC 51 107A 0 33,-2.6 32,-2.2 -2,-0.4 33,-1.1 -0.948 3.6-168.1-121.9 142.8 34.5 -11.1 16.9 19 19 A F E -BC 49 106A 0 87,-2.7 87,-2.3 -2,-0.4 2,-0.4 -0.904 12.8-141.4-122.4 148.9 35.2 -9.5 20.3 20 20 A A E +BC 48 105A 0 28,-1.7 27,-1.2 -2,-0.3 28,-0.5 -0.927 24.8 165.3-119.2 140.3 35.2 -11.1 23.7 21 21 A N E + 0 0 0 83,-2.3 24,-0.3 -2,-0.4 2,-0.3 -0.565 49.3 83.0-146.5 71.4 33.9 -9.7 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 78.8-114.0-166.9 155.9 33.6 -12.6 29.5 23 23 A S E S+ 0 0 109 -2,-0.3 2,-0.2 20,-0.1 22,-0.1 0.795 97.2 78.8 -62.6 -29.7 35.5 -14.8 31.9 24 24 A G E S- 0 0 19 20,-0.1 20,-0.4 1,-0.1 2,-0.3 -0.562 90.7-106.6 -91.5 147.9 34.7 -17.7 29.6 25 25 A T E - 0 0 79 -2,-0.2 45,-0.5 18,-0.1 2,-0.4 -0.514 36.6-144.5 -66.1 126.4 36.4 -18.7 26.3 26 26 A Q E -BD 42 69A 0 16,-2.8 16,-1.7 -2,-0.3 2,-0.5 -0.813 11.5-164.0 -94.7 134.3 34.2 -17.9 23.4 27 27 A T E -BD 41 68A 48 41,-2.6 41,-2.6 -2,-0.4 2,-0.5 -0.984 9.8-167.4-114.6 120.8 34.0 -20.1 20.3 28 28 A V E -BD 40 67A 0 12,-3.0 12,-2.6 -2,-0.5 2,-0.5 -0.942 2.2-165.9-111.3 121.4 32.3 -18.3 17.3 29 29 A N E -BD 39 66A 38 37,-2.8 37,-2.5 -2,-0.5 2,-0.6 -0.908 3.9-159.8-107.8 131.2 31.3 -20.3 14.3 30 30 A V E -BD 38 65A 0 8,-2.8 7,-3.5 -2,-0.5 8,-1.5 -0.968 12.1-161.8-112.5 116.4 30.5 -18.5 11.1 31 31 A L E -BD 36 64A 18 33,-3.3 33,-2.3 -2,-0.6 2,-0.4 -0.825 11.2-170.1-102.2 137.2 28.3 -20.5 8.7 32 32 A V E > S-BD 35 63A 21 3,-2.6 3,-1.3 -2,-0.4 31,-0.2 -0.999 83.2 -7.1-121.9 125.1 27.9 -19.9 5.0 33 33 A N T 3 S- 0 0 84 29,-2.4 -1,-0.1 -2,-0.4 30,-0.1 0.869 131.0 -58.0 55.0 40.4 25.2 -22.0 3.3 34 34 A N T 3 S+ 0 0 85 28,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.725 117.4 105.9 63.7 25.8 24.8 -24.0 6.5 35 35 A E E < S-B 32 0A 141 -3,-1.3 -3,-2.6 -5,-0.0 2,-0.3 -0.993 81.7-103.4-127.5 142.9 28.4 -25.1 6.6 36 36 A T E +B 31 0A 79 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.474 41.5 171.0 -64.7 123.4 31.1 -23.8 9.0 37 37 A A E + 0 0 45 -7,-3.5 2,-0.3 1,-0.4 -6,-0.2 0.622 65.1 8.0-108.3 -25.6 33.2 -21.4 7.0 38 38 A A E -B 30 0A 8 -8,-1.5 -8,-2.8 2,-0.0 -1,-0.4 -0.976 58.1-161.1-153.5 150.5 35.3 -19.8 9.8 39 39 A T E -B 29 0A 78 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.997 8.6-175.0-135.3 131.2 35.8 -20.4 13.5 40 40 A F E +B 28 0A 13 -12,-2.6 -12,-3.0 -2,-0.4 2,-0.3 -0.921 5.9 177.0-117.1 150.8 37.3 -17.9 16.0 41 41 A S E +B 27 0A 74 9,-0.7 2,-0.3 -2,-0.3 -14,-0.2 -0.995 15.2 116.6-151.3 149.5 38.1 -18.5 19.7 42 42 A G E -B 26 0A 19 -16,-1.7 -16,-2.8 -2,-0.3 2,-0.4 -0.942 43.7-112.4 173.0 177.9 39.6 -16.6 22.6 43 43 A Q E + 0 0 100 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.997 39.1 142.6-135.1 131.8 39.1 -15.2 26.0 44 44 A S E -B 22 0A 12 -22,-0.5 -22,-2.8 -2,-0.4 3,-0.2 -0.944 36.0-164.4-161.0 146.4 39.1 -11.5 27.1 45 45 A T E S+ 0 0 54 -24,-0.3 -24,-0.1 -2,-0.3 -22,-0.1 0.135 92.2 65.8-109.2 14.9 37.3 -9.2 29.5 46 46 A N E S- 0 0 85 -26,-0.2 -25,-0.2 183,-0.1 -1,-0.1 -0.089 116.4 -97.9-128.4 30.5 38.6 -6.2 27.5 47 47 A N E + 0 0 4 -27,-1.2 -26,-0.2 1,-0.2 -2,-0.0 0.726 58.3 177.5 66.3 24.8 37.0 -6.5 24.1 48 48 A A E -B 20 0A 44 -28,-0.5 -28,-1.7 -29,-0.1 2,-0.7 -0.292 37.2-111.9 -60.5 144.0 39.9 -8.2 22.4 49 49 A V E -B 19 0A 47 -30,-0.2 -30,-0.3 1,-0.2 3,-0.1 -0.697 33.1-176.0 -73.4 114.8 39.4 -9.1 18.8 50 50 A I E - 0 0 26 -32,-2.2 -9,-0.7 -2,-0.7 2,-0.3 0.541 65.7 -10.5 -94.3 -9.1 39.4 -12.9 18.9 51 51 A G E -B 18 0A 14 -33,-1.1 -33,-2.6 -11,-0.2 -1,-0.3 -0.874 53.0-176.0-177.3 156.0 39.2 -13.3 15.1 52 52 A T E +B 17 0A 62 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.953 18.9 154.8-156.1 140.3 38.6 -11.4 11.9 53 53 A Q E -B 16 0A 85 -37,-2.1 -37,-2.4 -2,-0.3 2,-0.5 -0.986 38.4-119.1-159.5 159.4 38.4 -12.7 8.3 54 54 A V E +B 15 0A 56 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.930 37.8 173.3-105.8 131.3 36.9 -12.0 4.9 55 55 A L E -B 14 0A 21 -41,-2.5 -41,-2.6 -2,-0.5 2,-0.4 -0.816 31.0-115.8-127.1 170.6 34.5 -14.6 3.5 56 56 A N E -B 13 0A 57 -2,-0.3 -43,-0.2 -43,-0.2 3,-0.1 -0.925 14.0-141.2-109.4 133.4 32.2 -14.9 0.5 57 57 A S > - 0 0 0 -45,-2.5 4,-0.8 -2,-0.4 3,-0.3 0.642 43.0-153.7 -68.0 -14.9 28.4 -15.1 1.0 58 58 A G T >4 - 0 0 21 1,-0.2 -47,-2.7 2,-0.2 3,-0.6 0.039 39.0 -41.5 68.8-172.0 28.2 -17.7 -1.7 59 59 A S T 34 S+ 0 0 94 1,-0.3 -1,-0.2 -49,-0.2 -49,-0.1 0.809 138.8 37.4 -65.0 -32.1 25.4 -18.6 -4.0 60 60 A S T 34 S- 0 0 50 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.617 91.8-139.2 -94.8 -16.3 22.6 -18.4 -1.4 61 61 A G << + 0 0 0 -4,-0.8 -53,-3.0 -3,-0.6 2,-0.6 0.490 49.9 147.9 68.6 5.7 23.9 -15.5 0.6 62 62 A K E +A 7 0A 66 -55,-0.2 -29,-2.4 -5,-0.2 2,-0.4 -0.615 19.9 175.3 -82.8 119.1 22.9 -17.2 3.9 63 63 A V E -AD 6 32A 0 -57,-2.7 -57,-2.9 -2,-0.6 2,-0.4 -0.962 4.3-176.7-122.1 133.1 25.3 -16.3 6.7 64 64 A Q E -AD 5 31A 36 -33,-2.3 -33,-3.3 -2,-0.4 2,-0.5 -0.997 12.9-153.9-132.4 140.2 24.8 -17.5 10.3 65 65 A V E - 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0 0 14 -7,-0.1 -1,-0.1 128,-0.0 -6,-0.1 0.718 49.4-153.7 -81.6 -17.6 25.0 -7.8 29.2 102 102 A Y + 0 0 12 1,-0.1 -8,-1.1 -9,-0.1 -7,-0.2 0.673 66.7 102.3 55.6 23.8 24.9 -9.7 25.9 103 103 A N B +i 94 0A 0 -10,-0.2 3,-0.3 -82,-0.2 -8,-0.2 0.237 36.8 110.9-113.7 11.1 28.5 -8.6 25.1 104 104 A D S S+ 0 0 5 -10,-1.8 -83,-2.3 1,-0.3 2,-0.4 0.904 99.9 6.8 -66.2 -43.5 30.2 -11.9 25.9 105 105 A A E S-C 20 0A 0 -11,-0.5 2,-0.4 -85,-0.2 -11,-0.4 -0.977 79.0-168.7-125.0 130.7 31.0 -12.4 22.3 106 106 A V E -C 19 0A 0 -87,-2.3 -87,-2.7 -2,-0.4 2,-0.4 -0.964 5.8-165.5-113.2 131.3 30.1 -9.5 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 5.8-168.1-124.4 131.1 30.2 -10.2 16.2 108 108 A V E -CH 17 91A 0 -91,-2.7 -91,-2.3 -2,-0.4 2,-0.4 -0.979 2.0-173.5-118.5 123.5 30.2 -7.5 13.5 109 109 A I E -CH 16 90A 0 -19,-2.8 -19,-2.8 -2,-0.5 2,-0.4 -0.957 12.1-177.3-111.3 132.1 29.7 -8.5 9.9 110 110 A N E -CH 15 89A 0 -95,-1.9 -95,-2.7 -2,-0.4 -21,-0.2 -0.988 7.2-140.6-134.8 145.3 30.1 -5.7 7.3 111 111 A W E + H 0 88A 12 -23,-1.7 -23,-2.8 -2,-0.4 2,-0.1 -0.966 59.0 35.3-159.6 160.8 29.7 -5.4 3.5 112 112 A P - 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