==== 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 CARBOHYDRATE-BINDING PROTEIN 15-AUG-06 2J1R . COMPND 2 MOLECULE: FUCOLECTIN-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.B.BORASTON,D.WANG,R.D.BURKE . 277 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 31.4 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 26 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.2 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+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 PARALLEL BRIDGES PER LADDER . 0 1 2 0 2 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 2 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 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 10 A K 0 0 137 0, 0.0 7,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -43.9 15.1 24.6 23.6 2 11 A F E -A 7 0A 129 5,-0.2 2,-0.5 7,-0.0 5,-0.2 -0.928 360.0-171.4-109.8 141.0 15.7 25.6 27.4 3 12 A N E > S-A 6 0A 27 3,-2.8 3,-1.8 -2,-0.4 134,-0.0 -0.964 78.6 -22.3-128.5 113.5 13.3 24.7 30.2 4 13 A D T 3 S- 0 0 139 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.847 129.0 -50.0 55.4 40.1 14.1 26.3 33.5 5 14 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.433 115.1 115.7 80.4 5.7 17.7 26.7 32.5 6 15 A N E < -A 3 0A 77 -3,-1.8 -3,-2.8 133,-0.0 2,-0.5 -0.901 69.1-120.4-111.9 131.7 18.1 23.2 31.3 7 16 A L E -A 2 0A 46 -2,-0.5 2,-1.0 -5,-0.2 133,-0.4 -0.566 18.8-148.0 -73.0 121.4 18.8 22.4 27.6 8 17 A N > - 0 0 3 -7,-3.4 3,-1.0 -2,-0.5 131,-0.2 -0.788 12.2-171.9 -91.0 102.1 16.1 20.2 26.2 9 18 A I T 3 S+ 0 0 7 129,-2.2 -1,-0.1 -2,-1.0 130,-0.1 0.534 77.9 64.8 -73.7 -8.8 18.0 18.1 23.6 10 19 A A T > S+ 0 0 0 128,-0.6 3,-2.3 -9,-0.1 -1,-0.2 0.678 72.0 119.0 -81.6 -20.3 14.7 16.6 22.2 11 20 A Y T < S- 0 0 98 -3,-1.0 20,-0.2 1,-0.3 19,-0.1 -0.250 90.8 -8.5 -56.6 127.5 13.4 19.9 21.0 12 21 A A T 3 S+ 0 0 70 18,-2.4 -1,-0.3 15,-0.2 19,-0.1 0.580 97.2 142.6 61.8 18.6 12.8 19.9 17.2 13 22 A K < - 0 0 56 -3,-2.3 -1,-0.2 1,-0.1 45,-0.1 -0.429 63.3 -83.3 -82.1 156.9 14.6 16.5 16.8 14 23 A P - 0 0 62 0, 0.0 43,-2.7 0, 0.0 2,-0.3 -0.394 54.7-175.0 -60.3 140.3 13.2 14.0 14.3 15 24 A T E -B 56 0B 24 41,-0.2 2,-0.3 -3,-0.1 41,-0.2 -0.940 13.7-177.4-132.2 160.9 10.4 11.9 15.6 16 25 A T E -B 55 0B 36 39,-2.3 39,-2.9 -2,-0.3 2,-0.3 -0.950 4.6-168.7-147.7 165.8 8.3 9.0 14.4 17 26 A Q E -B 54 0B 4 -2,-0.3 37,-0.3 37,-0.3 3,-0.1 -0.949 41.0 -94.5-151.8 175.1 5.3 7.1 15.8 18 27 A S S S- 0 0 3 35,-2.5 2,-0.3 -2,-0.3 36,-0.1 0.793 96.8 -36.0 -66.6 -31.7 3.4 4.0 15.1 19 28 A S - 0 0 21 34,-0.3 2,-0.4 28,-0.1 -1,-0.2 -0.942 62.2-110.7-172.1 174.2 0.7 5.8 13.0 20 29 A V + 0 0 47 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.979 29.1 171.3-124.3 135.5 -1.0 9.1 12.9 21 30 A D > + 0 0 60 24,-2.3 3,-2.7 -2,-0.4 -2,-0.1 -0.958 69.2 13.9-131.7 157.4 -4.7 10.0 13.7 22 31 A Y T 3 S- 0 0 146 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.774 124.9 -71.8 54.4 29.7 -6.5 13.3 14.0 23 32 A N T 3 S+ 0 0 118 1,-0.2 2,-2.1 22,-0.1 -1,-0.3 0.691 88.4 152.2 58.7 23.1 -3.4 14.9 12.5 24 33 A G < - 0 0 0 -3,-2.7 21,-2.4 21,-0.3 -1,-0.2 -0.341 26.0-173.4 -80.0 60.0 -1.5 14.2 15.7 25 34 A D > - 0 0 62 -2,-2.1 3,-2.0 19,-0.2 4,-0.2 -0.100 32.6-115.8 -61.7 151.2 1.9 14.1 14.0 26 35 A P G > S+ 0 0 21 0, 0.0 3,-1.5 0, 0.0 -10,-0.2 0.728 107.6 71.4 -67.6 -22.2 4.8 13.0 16.2 27 36 A N G > S+ 0 0 94 1,-0.3 3,-1.7 -12,-0.2 -15,-0.2 0.682 79.6 79.4 -67.2 -11.8 6.7 16.3 15.9 28 37 A R G X S+ 0 0 60 -3,-2.0 3,-0.9 1,-0.3 5,-0.3 0.780 85.9 58.5 -66.2 -23.5 4.0 17.7 18.2 29 38 A A G < S+ 0 0 0 -3,-1.5 107,-2.9 1,-0.2 -1,-0.3 0.491 111.4 40.9 -87.1 0.6 5.7 16.2 21.2 30 39 A V G < S+ 0 0 3 -3,-1.7 -18,-2.4 105,-0.2 -1,-0.2 0.018 82.1 106.1-128.2 29.8 8.9 18.1 20.5 31 40 A D S < S- 0 0 62 -3,-0.9 -2,-0.1 2,-0.2 -3,-0.1 0.435 93.1-110.7 -93.0 4.4 7.4 21.4 19.5 32 41 A G S S+ 0 0 38 1,-0.2 2,-0.6 104,-0.1 -3,-0.1 0.460 84.0 114.8 85.7 0.0 8.4 23.1 22.7 33 42 A N - 0 0 66 -5,-0.3 -2,-0.2 101,-0.2 -1,-0.2 -0.925 46.6-169.1-113.3 121.8 4.8 23.4 23.9 34 43 A R + 0 0 90 -2,-0.6 101,-0.1 -3,-0.1 -1,-0.1 0.511 43.7 132.1 -83.7 -6.0 3.7 21.5 27.0 35 44 A N - 0 0 73 1,-0.1 -2,-0.1 99,-0.1 35,-0.0 -0.293 39.3-166.2 -51.1 124.6 0.0 22.3 26.3 36 45 A G + 0 0 3 36,-0.1 37,-2.5 7,-0.1 38,-1.1 0.317 51.0 112.8 -99.2 3.2 -1.9 19.0 26.7 37 46 A N > > - 0 0 66 36,-0.2 3,-2.1 35,-0.2 5,-0.6 -0.698 60.2-149.2 -77.3 116.1 -5.2 20.1 25.1 38 47 A F G > 5S+ 0 0 21 -2,-0.7 3,-1.8 1,-0.3 5,-0.4 0.864 94.6 61.1 -52.7 -39.8 -5.4 18.1 21.9 39 48 A N G 3 5S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.643 90.6 72.2 -69.9 -10.1 -7.3 20.9 20.2 40 49 A S G < 5S- 0 0 52 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.599 106.0-120.6 -72.8 -20.9 -4.3 23.2 20.7 41 50 A G T < 5S+ 0 0 28 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.401 89.2 103.7 91.3 0.7 -2.2 21.4 18.1 42 51 A S < + 0 0 0 -5,-0.6 2,-0.4 2,-0.1 -11,-0.2 0.445 62.5 80.0 -90.3 -5.3 0.5 20.5 20.7 43 52 A V - 0 0 0 -5,-0.4 91,-0.2 -6,-0.2 -14,-0.1 -0.874 67.4-135.1-123.3 132.5 -0.4 16.9 21.2 44 53 A T - 0 0 0 89,-2.5 2,-0.2 -2,-0.4 -19,-0.2 -0.303 18.3-171.9 -75.7 168.3 0.3 13.7 19.3 45 54 A H - 0 0 9 -21,-2.4 -24,-2.3 87,-0.2 -21,-0.3 -0.825 4.0-169.1-164.1 121.1 -2.1 11.0 18.5 46 55 A T - 0 0 0 85,-1.4 -26,-0.2 -26,-0.3 2,-0.1 -0.544 31.9-102.2 -95.6 174.1 -1.7 7.6 16.9 47 56 A R - 0 0 151 -2,-0.2 2,-1.6 83,-0.1 84,-0.4 -0.228 59.5 -73.7 -75.8-178.6 -4.3 5.2 15.7 48 57 A A S S+ 0 0 55 82,-0.1 -1,-0.1 80,-0.1 79,-0.0 -0.588 74.6 176.4 -83.3 81.9 -5.2 2.3 17.8 49 58 A D > - 0 0 26 -2,-1.6 79,-2.6 80,-0.4 3,-0.7 -0.158 41.6 -97.7-103.6 177.8 -2.1 0.3 17.2 50 59 A N T 3 S- 0 0 116 1,-0.7 77,-0.1 77,-0.2 2,-0.1 -0.622 118.8 -11.0-130.4 71.1 -0.6 -3.0 18.4 51 60 A P T 3 S- 0 0 25 0, 0.0 -1,-0.7 0, 0.0 2,-0.2 0.660 86.1-135.1-101.7 172.7 1.0 -1.3 20.3 52 61 A S < + 0 0 0 -3,-0.7 72,-2.2 77,-0.5 2,-0.3 -0.503 34.3 168.0 -75.4 142.4 1.1 2.4 19.9 53 62 A W E - C 0 123B 3 70,-0.2 -35,-2.5 -2,-0.2 -34,-0.3 -0.974 22.9-160.5-151.2 162.3 4.5 4.0 20.3 54 63 A W E -BC 17 122B 0 68,-2.1 68,-2.7 -2,-0.3 2,-0.3 -0.976 13.5-170.8-141.5 149.2 6.3 7.3 19.7 55 64 A E E -BC 16 121B 6 -39,-2.9 -39,-2.3 -2,-0.3 2,-0.4 -1.000 14.2-153.1-148.4 142.0 10.1 7.9 19.4 56 65 A V E -BC 15 120B 0 64,-2.4 64,-2.1 -2,-0.3 2,-0.5 -0.942 12.6-148.9-110.5 141.8 12.5 10.7 19.2 57 66 A D E - C 0 119B 12 -43,-2.7 62,-0.2 -2,-0.4 61,-0.0 -0.941 3.9-162.6-111.1 115.0 15.9 10.4 17.4 58 67 A L E - 0 0 2 60,-3.5 61,-0.1 -2,-0.5 2,-0.1 0.412 38.1-125.3 -80.5 -2.8 18.6 12.6 19.0 59 68 A K E S+ 0 0 130 59,-0.3 2,-0.3 -45,-0.1 -1,-0.1 0.014 82.3 23.3 85.7 -22.0 20.6 12.1 15.7 60 69 A K E S- 0 0 112 58,-0.2 2,-0.2 57,-0.1 -2,-0.1 -0.925 104.7 -69.0-153.4 170.0 23.7 10.8 17.5 61 70 A M E + 0 0 82 -2,-0.3 57,-0.3 55,-0.1 2,-0.2 -0.516 62.3 164.1 -64.1 133.5 24.6 9.1 20.7 62 71 A D E - C 0 117B 16 55,-2.3 55,-2.4 -2,-0.2 2,-0.5 -0.715 40.9 -92.3-139.1-175.1 24.1 11.5 23.6 63 72 A K E - C 0 116B 111 -2,-0.2 2,-0.6 53,-0.2 53,-0.2 -0.944 34.3-152.1-112.7 131.2 23.8 11.3 27.4 64 73 A V E + C 0 115B 0 51,-2.2 50,-1.5 -2,-0.5 51,-1.1 -0.911 28.3 151.0-114.6 116.4 20.2 11.0 28.8 65 74 A G E + 0 0 0 74,-3.2 47,-2.9 -2,-0.6 2,-0.3 0.554 64.1 16.1 -98.5-113.7 19.5 12.4 32.3 66 75 A L E - C 0 111B 50 75,-2.1 73,-2.8 45,-0.2 2,-0.5 -0.514 60.4-170.2 -66.6 132.1 16.0 13.6 33.1 67 76 A V E -DC 138 110B 0 43,-3.0 43,-2.8 -2,-0.3 2,-0.5 -0.996 7.1-167.4-120.1 120.8 13.2 12.6 30.6 68 77 A K E -DC 137 109B 62 69,-2.8 69,-2.8 -2,-0.5 2,-0.5 -0.957 1.0-164.5-116.5 123.9 10.0 14.4 31.3 69 78 A I E -DC 136 108B 0 39,-2.8 39,-2.0 -2,-0.5 2,-0.5 -0.922 4.1-156.4-115.5 125.2 6.8 13.2 29.6 70 79 A Y E -DC 135 107B 19 65,-3.1 64,-2.5 -2,-0.5 65,-1.3 -0.868 13.7-142.2-107.3 123.1 3.7 15.4 29.5 71 80 A N E -D 133 0B 11 35,-3.0 62,-0.2 -2,-0.5 2,-0.1 -0.383 26.9 -94.0 -76.0 158.0 0.3 13.8 29.1 72 81 A R - 0 0 29 60,-0.8 -35,-0.2 4,-0.1 -1,-0.1 -0.418 41.0-171.2 -53.4 146.6 -2.7 14.9 27.1 73 82 A T + 0 0 50 -37,-2.5 -36,-0.2 -2,-0.1 4,-0.1 0.605 64.3 67.0-123.5 -22.4 -4.9 16.8 29.6 74 83 A D S S- 0 0 62 -38,-1.1 2,-0.3 1,-0.2 -37,-0.1 0.815 112.8 -21.2 -79.8 -29.5 -8.3 17.5 27.9 75 84 A A S S+ 0 0 40 1,-0.0 -1,-0.2 2,-0.0 -37,-0.1 -0.977 116.7 34.9-170.6 162.1 -9.6 14.0 27.7 76 85 A E > + 0 0 83 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 0.757 61.4 155.2 55.3 32.3 -8.6 10.4 27.6 77 86 A T G > + 0 0 65 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.752 60.9 69.3 -66.5 -26.0 -5.8 11.0 30.1 78 87 A Q G 3 S+ 0 0 111 1,-0.2 -1,-0.3 24,-0.1 -2,-0.1 0.643 77.2 81.8 -63.3 -16.6 -5.8 7.4 31.3 79 88 A R G < S+ 0 0 59 -3,-1.8 2,-1.7 1,-0.2 -1,-0.2 0.818 77.0 73.4 -62.0 -32.2 -4.4 6.2 27.9 80 89 A L S < S+ 0 0 4 -3,-1.2 23,-0.4 -4,-0.3 2,-0.3 -0.602 80.3 102.5 -83.9 79.6 -0.9 7.2 29.1 81 90 A S + 0 0 36 -2,-1.7 44,-0.4 1,-0.2 45,-0.3 -0.950 63.3 29.0-154.2 159.3 -0.6 4.2 31.5 82 91 A N S S+ 0 0 62 19,-1.8 43,-2.6 -2,-0.3 44,-0.4 0.938 87.9 140.1 47.3 63.6 1.1 0.9 31.5 83 92 A F E -EF 100 124B 0 17,-2.5 17,-3.1 41,-0.2 2,-0.4 -0.948 46.7-133.5-139.1 153.7 3.9 2.0 29.3 84 93 A D E -EF 99 123B 15 39,-2.6 39,-2.6 -2,-0.3 2,-0.5 -0.863 4.8-153.1-103.4 147.8 7.7 1.7 28.9 85 94 A V E -EF 98 122B 0 13,-2.7 13,-2.3 -2,-0.4 2,-0.4 -0.993 26.4-171.5-115.2 119.4 10.3 4.4 28.2 86 95 A I E -EF 97 121B 1 35,-2.8 35,-3.0 -2,-0.5 2,-0.4 -0.930 17.3-152.1-125.0 132.2 13.1 2.8 26.4 87 96 A L E -EF 96 120B 0 9,-2.4 8,-2.6 -2,-0.4 9,-1.2 -0.864 16.6-169.5 -99.2 135.3 16.6 4.1 25.4 88 97 A Y E -EF 94 119B 31 31,-2.4 30,-3.0 -2,-0.4 31,-2.2 -0.955 13.0-133.9-125.2 149.0 18.3 2.7 22.3 89 98 A D > - 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