==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 30-NOV-12 3ZDV . COMPND 2 MOLECULE: FUCOSE-BINDING LECTIN PA-IIL; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.HAUCK,I.JOACHIM,B.FROMMEYER,A.VARROT,B.PHILIPP,H.M.MOLLER, . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 65.1 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 . 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 2 9 2 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, 0.0 305,-0.0 0.000 360.0 360.0 360.0 151.2 -12.3 3.0 4.8 2 2 A T - 0 0 86 427,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.349 360.0-169.1 -58.8 138.2 -12.6 0.8 7.9 3 3 A Q + 0 0 30 1,-0.1 3,-0.1 74,-0.1 73,-0.1 -0.948 56.7 35.5-131.3 153.6 -9.7 1.4 10.3 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.8 1,-0.2 2,-0.4 0.559 83.0 117.4 79.5 14.1 -8.5 -0.4 13.4 5 5 A V E +A 64 0A 25 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.945 37.8 175.4-114.5 129.4 -9.4 -3.9 12.2 6 6 A F E -A 63 0A 4 57,-2.9 57,-2.7 -2,-0.4 2,-0.7 -0.995 27.5-140.1-136.6 140.9 -6.7 -6.5 11.7 7 7 A T E -A 62 0A 81 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.878 28.2-175.7 -99.7 110.2 -6.5 -10.2 10.7 8 8 A L - 0 0 5 53,-3.1 3,-0.1 -2,-0.7 2,-0.0 -0.654 38.7 -85.3 -92.9 160.7 -3.9 -11.9 12.7 9 9 A P > - 0 0 63 0, 0.0 3,-0.6 0, 0.0 48,-0.2 -0.390 62.3 -93.7 -57.4 147.7 -2.8 -15.5 12.4 10 10 A A T 3 S+ 0 0 50 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.237 99.5 9.7 -65.5 148.6 -5.2 -17.7 14.4 11 11 A N T 3 S+ 0 0 111 47,-2.4 2,-0.4 1,-0.2 -1,-0.2 0.831 92.5 141.6 55.2 43.5 -4.4 -18.8 18.0 12 12 A T < - 0 0 33 -3,-0.6 45,-2.4 46,-0.2 2,-0.2 -0.954 51.9-125.3-122.4 131.1 -1.5 -16.4 18.3 13 13 A R E +B 56 0A 88 -2,-0.4 100,-0.5 43,-0.2 2,-0.3 -0.524 34.8 178.2 -71.2 138.7 -0.5 -14.4 21.3 14 14 A F E -B 55 0A 0 41,-2.6 41,-2.5 -2,-0.2 2,-0.3 -0.982 24.5-125.1-138.0 154.3 -0.2 -10.7 20.7 15 15 A G E -BC 54 110A 0 95,-2.7 95,-1.8 -2,-0.3 2,-0.4 -0.750 19.1-169.3 -94.7 145.6 0.7 -7.6 22.7 16 16 A V E +BC 53 109A 0 37,-2.4 37,-2.0 -2,-0.3 2,-0.4 -0.994 8.9 174.5-134.1 128.4 -1.5 -4.6 22.9 17 17 A T E -BC 52 108A 0 91,-2.2 91,-2.7 -2,-0.4 2,-0.4 -0.998 11.5-158.5-134.9 136.6 -0.4 -1.4 24.5 18 18 A A E -BC 51 107A 0 33,-2.5 32,-2.3 -2,-0.4 33,-1.1 -0.956 4.2-168.9-122.9 138.3 -2.1 2.0 24.6 19 19 A F E -BC 49 106A 1 87,-2.7 87,-2.5 -2,-0.4 2,-0.4 -0.908 13.1-141.3-120.2 147.9 -0.7 5.5 25.2 20 20 A A E +BC 48 105A 0 28,-1.9 27,-1.1 -2,-0.3 28,-0.6 -0.927 25.6 164.9-117.4 140.4 -2.6 8.7 25.9 21 21 A N E + 0 0 0 83,-2.3 2,-0.3 -2,-0.4 24,-0.3 -0.556 49.7 87.0-146.7 71.1 -2.0 12.2 24.6 22 22 A S E S-B 44 0A 8 22,-2.8 22,-0.5 2,-0.1 4,-0.1 -0.983 75.4-120.6-164.9 151.4 -5.1 14.2 25.3 23 23 A S E S+ 0 0 111 -2,-0.3 2,-0.3 20,-0.1 22,-0.1 0.736 96.0 78.7 -67.8 -23.8 -7.0 16.3 27.8 24 24 A G E S- 0 0 17 20,-0.1 20,-0.3 1,-0.1 2,-0.3 -0.622 92.6-107.5 -90.0 146.0 -9.8 13.8 27.6 25 25 A T E - 0 0 59 -2,-0.3 45,-0.5 18,-0.1 2,-0.4 -0.565 38.0-141.1 -68.9 126.1 -9.9 10.4 29.3 26 26 A Q E -B 42 0A 0 16,-2.8 16,-1.9 -2,-0.3 2,-0.5 -0.781 13.5-163.6 -92.6 138.4 -9.4 7.7 26.6 27 27 A T E -BD 41 68A 37 41,-2.5 41,-2.4 -2,-0.4 2,-0.5 -0.991 9.0-170.1-120.4 115.3 -11.2 4.4 26.6 28 28 A V E -BD 40 67A 0 12,-2.9 12,-2.6 -2,-0.5 2,-0.4 -0.953 0.8-168.9-107.8 121.5 -9.7 1.8 24.4 29 29 A N E -BD 39 66A 32 37,-2.6 37,-2.8 -2,-0.5 2,-0.5 -0.929 5.0-160.7-108.5 134.5 -11.6 -1.4 23.7 30 30 A V E -BD 38 65A 0 8,-2.9 7,-3.4 -2,-0.4 8,-1.4 -0.975 10.1-163.6-116.5 120.6 -9.9 -4.4 22.1 31 31 A L E -BD 36 64A 18 33,-3.1 33,-2.5 -2,-0.5 2,-0.4 -0.865 8.1-165.8-105.2 137.5 -12.2 -6.9 20.5 32 32 A V E > S-BD 35 63A 21 3,-2.7 3,-1.7 -2,-0.4 31,-0.2 -0.997 84.1 -9.2-121.5 123.5 -11.2 -10.5 19.5 33 33 A N T 3 S- 0 0 77 29,-2.4 -1,-0.2 -2,-0.4 30,-0.1 0.881 132.1 -57.0 52.1 43.4 -13.8 -12.2 17.3 34 34 A N T 3 S+ 0 0 95 28,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.565 116.6 109.7 67.6 13.1 -16.2 -9.3 17.9 35 35 A E E < S-B 32 0A 149 -3,-1.7 -3,-2.7 0, 0.0 -1,-0.2 -0.962 78.6-104.3-120.1 137.2 -16.1 -9.7 21.7 36 36 A T E +B 31 0A 90 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.375 42.4 167.4 -61.6 125.2 -14.4 -7.3 24.2 37 37 A A E + 0 0 41 -7,-3.4 2,-0.3 1,-0.4 -6,-0.2 0.576 64.7 8.8-110.9 -25.4 -11.1 -8.9 25.4 38 38 A A E -B 30 0A 7 -8,-1.4 -8,-2.9 2,-0.0 -1,-0.4 -0.965 55.5-164.6-156.3 146.2 -9.5 -5.9 27.0 39 39 A T E -B 29 0A 73 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.995 7.2-170.9-133.4 128.4 -10.4 -2.4 28.0 40 40 A F E -B 28 0A 11 -12,-2.6 -12,-2.9 -2,-0.4 2,-0.4 -0.961 5.8-179.5-116.5 138.8 -7.9 0.3 29.0 41 41 A S E +B 27 0A 74 9,-0.5 2,-0.3 -2,-0.4 -14,-0.2 -0.987 21.2 113.8-140.8 132.3 -8.9 3.7 30.4 42 42 A G E -B 26 0A 17 -16,-1.9 -16,-2.8 -2,-0.4 2,-0.4 -0.978 44.4-119.3-178.3 175.0 -6.8 6.6 31.4 43 43 A Q E + 0 0 100 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.996 35.5 140.4-137.5 133.2 -5.7 10.2 30.9 44 44 A S E -B 22 0A 13 -22,-0.5 -22,-2.8 -2,-0.4 3,-0.2 -0.956 35.1-162.4-162.1 148.1 -2.3 11.7 30.0 45 45 A T E S+ 0 0 48 -24,-0.3 -24,-0.1 -2,-0.3 -22,-0.1 0.127 92.0 65.2-111.4 18.3 -0.8 14.5 27.9 46 46 A N E S- 0 0 85 -26,-0.2 -25,-0.2 183,-0.1 -1,-0.1 -0.095 116.9 -96.2-131.5 31.6 2.6 12.9 28.2 47 47 A N E + 0 0 4 -27,-1.1 -26,-0.2 1,-0.2 -2,-0.0 0.750 60.3 175.7 65.5 23.6 2.3 9.6 26.4 48 48 A A E -B 20 0A 43 -28,-0.6 -28,-1.9 -29,-0.1 2,-0.6 -0.337 38.1-109.8 -61.0 144.2 1.6 7.6 29.6 49 49 A V E -B 19 0A 51 -30,-0.2 -30,-0.3 1,-0.2 3,-0.1 -0.668 33.2-177.1 -69.6 116.4 0.9 3.9 29.1 50 50 A I E - 0 0 30 -32,-2.3 -9,-0.5 -2,-0.6 2,-0.2 0.516 66.7 -11.4 -94.6 -9.1 -2.8 3.5 30.0 51 51 A G E -B 18 0A 14 -33,-1.1 -33,-2.5 -11,-0.2 -1,-0.3 -0.853 51.0-172.2-178.9 151.8 -2.7 -0.2 29.5 52 52 A T E +B 17 0A 63 -2,-0.2 2,-0.3 -35,-0.2 -35,-0.2 -0.980 20.1 159.0-146.1 144.6 -0.8 -3.2 28.2 53 53 A Q E -B 16 0A 79 -37,-2.0 -37,-2.4 -2,-0.3 2,-0.5 -0.985 36.1-126.4-158.8 154.6 -1.9 -6.8 27.9 54 54 A V E +B 15 0A 50 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.956 36.0 176.0-105.9 131.3 -1.2 -10.0 26.2 55 55 A L E -B 14 0A 19 -41,-2.5 -41,-2.6 -2,-0.5 2,-0.4 -0.793 28.8-120.5-126.8 165.4 -4.2 -11.5 24.4 56 56 A N E -B 13 0A 80 -2,-0.3 -43,-0.2 -43,-0.2 -45,-0.1 -0.941 13.2-141.4-110.0 132.8 -4.8 -14.5 22.1 57 57 A S > - 0 0 0 -45,-2.4 4,-1.3 -2,-0.4 3,-0.3 0.623 40.8-158.5 -68.3 -15.8 -6.1 -13.9 18.6 58 58 A G T 4 - 0 0 19 1,-0.2 -47,-2.4 2,-0.2 3,-0.3 0.042 41.7 -38.7 70.4-166.8 -8.3 -17.0 18.9 59 59 A S T 4 S+ 0 0 91 1,-0.2 -1,-0.2 -49,-0.2 -49,-0.1 0.809 137.5 40.7 -66.4 -33.1 -9.8 -19.1 16.2 60 60 A S T 4 S- 0 0 48 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.708 86.7-143.0 -87.0 -28.1 -10.7 -16.2 13.8 61 61 A G < + 0 0 0 -4,-1.3 -53,-3.1 -3,-0.3 2,-0.6 0.479 50.6 144.5 72.1 1.4 -7.7 -14.0 14.2 62 62 A K E +A 7 0A 68 -5,-0.2 -29,-2.4 -55,-0.2 2,-0.4 -0.641 23.1 176.8 -81.8 120.9 -10.0 -11.0 14.0 63 63 A V E -AD 6 32A 0 -57,-2.7 -57,-2.9 -2,-0.6 2,-0.4 -0.972 4.8-175.8-125.5 129.0 -8.8 -8.1 16.2 64 64 A Q E -AD 5 31A 44 -33,-2.5 -33,-3.1 -2,-0.4 2,-0.5 -0.992 11.5-155.2-128.7 134.3 -10.5 -4.7 16.4 65 65 A V E - 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0 0 20 -7,-0.0 -1,-0.1 128,-0.0 -6,-0.1 0.706 49.5-153.3 -78.8 -21.4 -2.7 15.2 15.8 102 102 A Y + 0 0 12 1,-0.1 -8,-0.9 -9,-0.1 -7,-0.2 0.695 67.0 102.7 57.6 25.2 -4.2 11.6 15.8 103 103 A N B +i 94 0A 0 -10,-0.2 3,-0.3 -82,-0.2 -82,-0.2 0.218 35.5 111.2-115.0 9.5 -2.3 10.8 19.0 104 104 A D S S+ 0 0 5 -10,-1.9 -83,-2.3 1,-0.3 2,-0.4 0.907 100.1 6.2 -65.4 -43.2 -5.0 11.1 21.5 105 105 A A E S-C 20 0A 0 -11,-0.4 -11,-0.5 -85,-0.2 2,-0.5 -0.985 79.1-167.4-125.2 132.6 -5.0 7.4 22.1 106 106 A V E -CH 19 93A 0 -87,-2.5 -87,-2.7 -2,-0.4 2,-0.4 -0.979 5.9-166.3-114.9 130.1 -2.1 5.5 20.3 107 107 A V E -CH 18 92A 0 -15,-2.6 -15,-2.5 -2,-0.5 2,-0.5 -0.972 5.7-168.8-125.9 127.3 -2.4 1.8 20.2 108 108 A V E -CH 17 91A 1 -91,-2.7 -91,-2.2 -2,-0.4 2,-0.4 -0.982 1.3-172.6-117.4 124.9 0.4 -0.7 19.3 109 109 A I E -CH 16 90A 0 -19,-2.8 -19,-2.7 -2,-0.5 2,-0.4 -0.952 11.9-176.8-111.1 130.9 -0.3 -4.3 18.6 110 110 A N E -CH 15 89A 0 -95,-1.8 -95,-2.7 -2,-0.4 -21,-0.2 -0.990 7.1-143.1-133.0 143.2 2.8 -6.5 18.1 111 111 A W E + H 0 88A 10 -23,-1.9 -23,-2.7 -2,-0.4 2,-0.1 -0.971 59.2 37.6-159.2 161.7 3.3 -10.2 17.3 112 112 A P - 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