==== 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 2J1S . 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) . 12548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.6 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 . 25 9.0 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 0 132 0, 0.0 7,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -38.8 15.0 24.9 23.7 2 11 A F E -A 7 0A 125 5,-0.2 2,-0.5 30,-0.1 5,-0.2 -0.959 360.0-170.9-113.4 137.5 15.6 25.8 27.4 3 12 A N E > S-A 6 0A 26 3,-2.7 3,-1.9 -2,-0.4 29,-0.0 -0.973 78.1 -21.8-125.1 115.1 13.3 24.9 30.1 4 13 A D T 3 S- 0 0 137 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.858 128.5 -50.8 54.3 39.5 14.0 26.4 33.5 5 14 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.433 114.7 114.1 83.4 2.4 17.6 26.9 32.5 6 15 A N E < S-A 3 0A 79 -3,-1.9 -3,-2.7 133,-0.0 2,-0.4 -0.909 70.7-117.1-109.6 133.6 18.2 23.4 31.3 7 16 A L E -A 2 0A 49 -2,-0.4 2,-1.0 -5,-0.2 133,-0.4 -0.539 20.5-146.6 -70.1 118.9 18.9 22.7 27.6 8 17 A N > - 0 0 3 -7,-3.4 3,-1.1 -2,-0.4 131,-0.2 -0.775 13.6-172.5 -87.7 99.7 16.1 20.5 26.1 9 18 A I T 3 S+ 0 0 7 129,-2.1 -1,-0.2 -2,-1.0 130,-0.1 0.545 78.1 63.7 -72.4 -10.4 18.0 18.3 23.6 10 19 A A T > S+ 0 0 0 128,-0.6 3,-2.1 -9,-0.1 -1,-0.2 0.683 73.2 118.2 -81.7 -20.0 14.8 16.8 22.2 11 20 A Y T < S- 0 0 96 -3,-1.1 20,-0.2 1,-0.3 19,-0.1 -0.284 91.1 -6.9 -55.6 126.4 13.4 20.1 21.0 12 21 A A T 3 S+ 0 0 73 18,-2.3 -1,-0.3 15,-0.2 19,-0.1 0.555 97.5 141.3 66.8 13.8 13.0 20.1 17.2 13 22 A K < - 0 0 54 -3,-2.1 -1,-0.2 1,-0.1 45,-0.1 -0.443 63.5 -83.1 -80.2 157.7 14.7 16.7 16.8 14 23 A P - 0 0 61 0, 0.0 43,-2.7 0, 0.0 2,-0.3 -0.379 53.7-172.3 -60.4 141.4 13.3 14.1 14.3 15 24 A T E -B 56 0B 24 41,-0.2 2,-0.3 -3,-0.1 41,-0.2 -0.932 13.4-177.2-134.1 156.3 10.4 12.0 15.6 16 25 A T E -B 55 0B 36 39,-2.3 39,-2.9 -2,-0.3 2,-0.3 -0.930 3.5-172.3-142.2 165.7 8.4 9.1 14.5 17 26 A Q E -B 54 0B 5 -2,-0.3 37,-0.3 37,-0.3 3,-0.1 -0.961 42.0 -94.6-153.8 175.7 5.4 7.2 15.8 18 27 A S S S- 0 0 4 35,-2.5 2,-0.3 -2,-0.3 36,-0.1 0.800 96.4 -35.8 -67.9 -30.7 3.4 4.1 15.1 19 28 A S - 0 0 21 34,-0.3 2,-0.4 28,-0.1 -1,-0.2 -0.933 62.2-111.3-171.7 176.3 0.8 5.9 13.0 20 29 A V + 0 0 48 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.985 29.2 170.0-126.5 136.5 -1.0 9.2 12.9 21 30 A D > + 0 0 62 24,-2.1 3,-2.6 -2,-0.4 24,-0.1 -0.959 69.0 16.3-132.7 158.2 -4.6 10.1 13.6 22 31 A Y T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.773 124.1 -73.8 57.3 28.0 -6.4 13.5 14.0 23 32 A N T 3 S+ 0 0 119 1,-0.2 2,-2.0 22,-0.1 -1,-0.3 0.711 87.7 152.4 55.4 24.4 -3.3 15.1 12.5 24 33 A G < - 0 0 0 -3,-2.6 21,-2.4 21,-0.3 -1,-0.2 -0.398 26.4-172.4 -80.7 59.1 -1.4 14.4 15.7 25 34 A D > - 0 0 65 -2,-2.0 3,-2.0 19,-0.2 4,-0.2 -0.124 32.2-115.2 -59.1 149.8 2.0 14.3 14.0 26 35 A P G > S+ 0 0 19 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.747 107.5 72.0 -68.2 -20.2 4.9 13.2 16.2 27 36 A N G > S+ 0 0 95 1,-0.3 3,-1.5 -12,-0.2 -15,-0.2 0.669 79.0 79.0 -69.5 -11.3 6.7 16.4 15.9 28 37 A R G X S+ 0 0 61 -3,-2.0 3,-0.8 1,-0.3 5,-0.3 0.768 85.1 60.3 -66.0 -22.9 4.1 18.0 18.2 29 38 A A G < S+ 0 0 0 -3,-1.6 107,-2.8 1,-0.2 -1,-0.3 0.501 111.5 39.3 -85.0 -1.1 5.8 16.4 21.2 30 39 A V G < S+ 0 0 3 -3,-1.5 -18,-2.3 105,-0.2 -1,-0.2 0.046 82.0 106.2-128.8 28.3 9.0 18.3 20.5 31 40 A D S < S- 0 0 62 -3,-0.8 -2,-0.1 2,-0.2 -3,-0.1 0.442 93.4-110.0 -90.8 5.0 7.5 21.7 19.4 32 41 A G S S+ 0 0 39 1,-0.2 2,-0.5 104,-0.1 -3,-0.1 0.430 84.5 116.1 83.7 1.5 8.5 23.4 22.7 33 42 A N - 0 0 69 -5,-0.3 -2,-0.2 101,-0.2 -1,-0.2 -0.917 44.8-171.9-113.0 119.2 4.9 23.7 23.8 34 43 A R + 0 0 87 -2,-0.5 101,-0.1 -3,-0.1 -1,-0.1 0.540 42.8 131.7 -84.0 -9.4 3.7 21.8 26.9 35 44 A N - 0 0 75 1,-0.2 -2,-0.1 99,-0.1 7,-0.0 -0.244 39.8-166.1 -48.4 124.4 0.0 22.6 26.3 36 45 A G + 0 0 3 36,-0.1 37,-2.6 7,-0.1 38,-1.1 0.335 50.5 113.1-100.5 3.8 -1.9 19.3 26.7 37 46 A N > > - 0 0 63 36,-0.2 3,-2.2 35,-0.2 5,-0.6 -0.692 60.2-149.4 -76.8 115.1 -5.2 20.4 25.1 38 47 A F G > 5S+ 0 0 20 -2,-0.7 3,-1.6 1,-0.3 5,-0.4 0.861 94.8 60.6 -52.8 -38.0 -5.4 18.3 22.0 39 48 A N G 3 5S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.597 91.1 72.4 -72.7 -6.2 -7.3 21.1 20.2 40 49 A S G < 5S- 0 0 50 -3,-2.2 -1,-0.3 1,-0.0 -2,-0.2 0.587 106.0-120.7 -76.3 -20.1 -4.3 23.4 20.7 41 50 A G T < 5S+ 0 0 29 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.419 89.1 103.1 90.6 -0.4 -2.2 21.7 18.1 42 51 A S < + 0 0 0 -5,-0.6 2,-0.4 2,-0.1 -11,-0.2 0.395 62.7 80.4 -91.7 -3.5 0.5 20.8 20.6 43 52 A V - 0 0 0 -5,-0.4 91,-0.2 -6,-0.2 -14,-0.1 -0.898 67.4-134.6-123.0 132.8 -0.3 17.1 21.2 44 53 A T - 0 0 0 89,-2.4 2,-0.3 -2,-0.4 -19,-0.2 -0.304 18.4-170.4 -75.9 169.9 0.5 13.9 19.2 45 54 A H - 0 0 8 -21,-2.4 -24,-2.1 87,-0.2 -21,-0.3 -0.845 4.3-170.1-164.0 121.1 -2.0 11.2 18.4 46 55 A T - 0 0 0 85,-1.3 -26,-0.2 -26,-0.3 2,-0.1 -0.586 32.8-102.2 -97.2 174.1 -1.5 7.7 16.9 47 56 A R - 0 0 148 -2,-0.2 2,-1.5 83,-0.1 84,-0.4 -0.242 58.4 -74.7 -75.3 177.5 -4.2 5.4 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 74.2 176.8 -78.0 82.0 -5.1 2.5 17.9 49 58 A D > - 0 0 26 -2,-1.5 79,-2.7 80,-0.4 3,-0.7 -0.154 41.5 -96.0-102.7-179.5 -2.0 0.5 17.2 50 59 A N T 3 S- 0 0 115 1,-0.7 77,-0.1 77,-0.2 2,-0.1 -0.615 119.9 -10.9-131.0 70.6 -0.6 -2.9 18.4 51 60 A P T 3 S- 0 0 23 0, 0.0 -1,-0.7 0, 0.0 2,-0.2 0.646 86.7-135.8-101.4 173.0 1.0 -1.2 20.3 52 61 A S < + 0 0 0 -3,-0.7 72,-2.2 77,-0.4 2,-0.3 -0.489 33.9 166.8 -76.5 143.4 1.1 2.5 19.9 53 62 A W E - C 0 123B 3 70,-0.2 -35,-2.5 -2,-0.2 2,-0.3 -0.984 22.8-159.8-151.6 165.9 4.5 4.1 20.3 54 63 A W E -BC 17 122B 0 68,-2.2 68,-2.9 -2,-0.3 2,-0.3 -0.974 13.9-170.4-146.8 147.5 6.4 7.4 19.7 55 64 A E E -BC 16 121B 5 -39,-2.9 -39,-2.3 -2,-0.3 2,-0.4 -0.998 14.9-151.8-148.1 143.2 10.1 8.0 19.4 56 65 A V E -BC 15 120B 0 64,-2.5 64,-2.1 -2,-0.3 2,-0.6 -0.925 12.9-149.2-111.3 141.6 12.6 10.9 19.3 57 66 A D E - C 0 119B 12 -43,-2.7 62,-0.2 -2,-0.4 61,-0.0 -0.938 4.7-163.7-112.0 113.9 15.9 10.5 17.5 58 67 A L E - 0 0 3 60,-3.4 61,-0.1 -2,-0.6 -1,-0.1 0.441 37.6-126.5 -78.5 -3.1 18.8 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 0.072 81.8 24.3 81.1 -19.5 20.8 12.1 15.7 60 69 A K E S- 0 0 108 58,-0.2 2,-0.2 57,-0.1 -2,-0.1 -0.940 104.7 -69.1-152.8 171.3 23.8 10.8 17.5 61 70 A M E + 0 0 84 -2,-0.3 57,-0.2 55,-0.1 2,-0.2 -0.505 62.4 164.3 -64.5 132.7 24.7 9.1 20.8 62 71 A D E - C 0 117B 17 55,-2.4 55,-2.0 -2,-0.2 2,-0.5 -0.702 40.6 -92.5-137.8-174.2 24.2 11.6 23.6 63 72 A K E - C 0 116B 117 -2,-0.2 2,-0.6 53,-0.2 53,-0.2 -0.934 34.2-152.6-113.4 131.5 23.8 11.4 27.4 64 73 A V E + C 0 115B 0 51,-2.1 50,-1.4 -2,-0.5 51,-1.2 -0.932 28.8 149.2-112.9 116.4 20.3 11.2 28.9 65 74 A G E + 0 0 0 74,-3.1 47,-2.8 -2,-0.6 2,-0.3 0.553 63.7 16.8 -99.6-110.5 19.5 12.5 32.3 66 75 A L E - C 0 111B 49 75,-1.9 73,-2.8 45,-0.2 2,-0.5 -0.514 59.7-171.4 -68.5 131.1 16.0 13.7 33.1 67 76 A V E -DC 138 110B 0 43,-3.0 43,-2.9 -2,-0.3 2,-0.5 -0.997 6.3-167.3-120.1 122.6 13.2 12.8 30.7 68 77 A K E -DC 137 109B 62 69,-2.7 69,-2.9 -2,-0.5 2,-0.5 -0.964 1.2-163.6-117.1 124.6 10.0 14.6 31.3 69 78 A I E -DC 136 108B 0 39,-2.7 39,-1.9 -2,-0.5 2,-0.5 -0.934 4.2-155.7-116.0 122.4 6.8 13.5 29.6 70 79 A Y E -DC 135 107B 20 65,-3.4 64,-2.5 -2,-0.5 65,-1.2 -0.839 14.5-142.4-103.8 123.7 3.8 15.7 29.5 71 80 A N E -D 133 0B 11 35,-3.0 62,-0.2 -2,-0.5 6,-0.1 -0.364 26.8 -93.6 -78.8 156.8 0.4 14.0 29.1 72 81 A R - 0 0 30 60,-0.8 -35,-0.2 4,-0.1 -1,-0.1 -0.433 42.3-172.4 -52.2 145.7 -2.6 15.1 27.1 73 82 A T + 0 0 52 -37,-2.6 -36,-0.2 -2,-0.1 4,-0.1 0.579 64.2 66.8-122.9 -24.1 -4.9 17.1 29.6 74 83 A D S S- 0 0 61 -38,-1.1 2,-0.3 1,-0.2 -37,-0.1 0.807 113.0 -18.8 -78.7 -27.3 -8.2 17.9 28.0 75 84 A A S S+ 0 0 39 1,-0.0 -1,-0.2 2,-0.0 -37,-0.1 -0.977 115.7 32.0-169.4 161.2 -9.6 14.3 27.7 76 85 A E > + 0 0 85 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 0.795 60.6 157.0 52.7 38.1 -8.6 10.6 27.7 77 86 A T G > + 0 0 66 1,-0.3 3,-1.2 2,-0.2 26,-0.1 0.760 60.4 70.6 -68.0 -25.3 -5.8 11.2 30.1 78 87 A Q G 3 S+ 0 0 109 1,-0.2 -1,-0.3 24,-0.1 -2,-0.1 0.630 76.7 82.5 -65.2 -16.7 -5.8 7.6 31.3 79 88 A R G < S+ 0 0 63 -3,-1.6 2,-1.7 1,-0.2 -1,-0.2 0.825 76.7 72.8 -57.3 -34.6 -4.4 6.5 27.9 80 89 A L S < S+ 0 0 4 -3,-1.2 23,-0.4 -4,-0.2 2,-0.3 -0.655 81.3 103.5 -84.5 79.7 -0.9 7.4 29.1 81 90 A S + 0 0 36 -2,-1.7 44,-0.4 1,-0.2 45,-0.3 -0.962 61.8 28.4-153.3 160.6 -0.6 4.4 31.4 82 91 A N S S+ 0 0 59 19,-1.9 43,-2.6 -2,-0.3 44,-0.4 0.939 87.8 141.5 47.0 64.1 1.1 1.0 31.5 83 92 A F E -EF 100 124B 0 17,-2.5 17,-3.2 41,-0.2 2,-0.3 -0.956 47.1-132.9-139.6 153.4 3.9 2.1 29.3 84 93 A D E -EF 99 123B 14 39,-2.6 39,-2.6 -2,-0.3 2,-0.5 -0.824 5.6-153.7-101.9 146.4 7.7 1.7 28.9 85 94 A V E -EF 98 122B 0 13,-2.7 13,-2.3 -2,-0.3 2,-0.4 -0.992 27.3-171.6-116.5 118.0 10.3 4.5 28.2 86 95 A I E -EF 97 121B 1 35,-2.8 35,-2.9 -2,-0.5 2,-0.4 -0.926 17.8-152.9-124.7 130.2 13.1 2.9 26.4 87 96 A L E -EF 96 120B 0 9,-2.4 8,-2.8 -2,-0.4 9,-1.2 -0.866 15.6-170.3 -97.7 135.7 16.6 4.1 25.4 88 97 A Y E -EF 94 119B 31 31,-2.3 30,-2.8 -2,-0.4 31,-2.1 -0.963 13.9-133.5-125.5 148.8 18.4 2.7 22.4 89 98 A D > - 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