==== 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 2J1U . 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) . 12682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 67.1 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 . 89 32.1 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 . 2 0.7 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 . 31 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.8 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+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 3 1 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 0 135 0, 0.0 7,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 18.3 14.8 25.5 23.4 2 11 A F E +A 7 0A 129 5,-0.2 2,-0.3 30,-0.1 5,-0.2 -0.843 360.0 166.3-120.6 143.8 14.9 26.4 27.2 3 12 A N E > S-A 6 0A 22 3,-1.8 3,-1.4 -2,-0.4 134,-0.0 -0.883 76.4 -14.9-156.0 112.6 13.3 25.1 30.4 4 13 A D T 3 S- 0 0 113 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.764 125.7 -60.0 59.4 28.4 14.2 25.8 34.0 5 14 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.404 114.8 115.6 84.8 1.3 17.5 27.2 32.6 6 15 A N E < S-A 3 0A 76 -3,-1.4 -3,-1.8 135,-0.0 2,-0.4 -0.811 72.2-109.6-110.3 141.2 18.5 24.0 31.0 7 16 A L E -A 2 0A 52 -2,-0.3 2,-1.1 -5,-0.2 133,-0.5 -0.529 23.3-144.4 -71.4 121.4 18.9 23.2 27.3 8 17 A N > - 0 0 3 -7,-2.5 3,-1.2 -2,-0.4 131,-0.2 -0.764 14.0-170.5 -85.2 98.8 16.2 20.9 26.0 9 18 A I T 3 S+ 0 0 7 129,-2.0 -1,-0.1 -2,-1.1 130,-0.1 0.545 79.7 63.4 -70.1 -9.0 18.1 18.8 23.5 10 19 A A T > S+ 0 0 0 128,-0.6 3,-2.0 -9,-0.1 -1,-0.2 0.662 73.8 118.1 -84.4 -18.9 14.9 17.2 22.1 11 20 A Y T < S- 0 0 91 -3,-1.2 20,-0.2 1,-0.3 19,-0.1 -0.258 91.5 -7.7 -58.5 125.7 13.5 20.5 20.9 12 21 A A T 3 S+ 0 0 76 18,-2.5 -1,-0.3 15,-0.2 19,-0.1 0.530 98.0 139.0 67.2 11.6 13.1 20.5 17.1 13 22 A K < - 0 0 57 -3,-2.0 -1,-0.2 1,-0.1 45,-0.1 -0.462 66.0 -81.4 -78.3 158.5 14.8 17.1 16.6 14 23 A P - 0 0 61 0, 0.0 43,-2.3 0, 0.0 2,-0.3 -0.308 54.6-171.6 -58.7 135.6 13.3 14.5 14.2 15 24 A T E -B 56 0B 23 41,-0.2 2,-0.3 -3,-0.1 41,-0.2 -0.958 12.2-176.9-127.9 158.8 10.4 12.5 15.7 16 25 A T E -B 55 0B 36 39,-2.3 39,-3.1 -2,-0.3 2,-0.3 -0.953 3.0-171.2-142.0 163.8 8.4 9.5 14.7 17 26 A Q E -B 54 0B 6 -2,-0.3 37,-0.3 37,-0.3 3,-0.1 -0.928 41.7 -94.7-150.5 175.6 5.4 7.7 16.1 18 27 A S S S- 0 0 3 35,-2.7 2,-0.3 -2,-0.3 36,-0.1 0.824 96.3 -38.9 -64.5 -31.4 3.4 4.5 15.6 19 28 A S - 0 0 20 34,-0.3 2,-0.4 28,-0.1 -1,-0.2 -0.929 62.2-108.1-176.4 175.2 0.8 6.3 13.4 20 29 A V + 0 0 43 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.982 27.7 173.9-127.9 139.2 -1.0 9.6 13.2 21 30 A D > + 0 0 56 24,-2.0 3,-2.6 -2,-0.4 24,-0.1 -0.974 69.8 11.5-133.3 155.0 -4.7 10.5 13.9 22 31 A Y T 3 S- 0 0 148 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.803 123.9 -71.2 49.0 35.7 -6.4 13.9 14.1 23 32 A N T 3 S+ 0 0 121 1,-0.2 2,-2.4 -3,-0.1 -1,-0.3 0.637 88.1 153.1 55.5 25.2 -3.3 15.4 12.5 24 33 A G < - 0 0 0 -3,-2.6 21,-2.5 21,-0.3 -1,-0.2 -0.326 26.9-171.2 -83.0 61.6 -1.5 14.9 15.8 25 34 A D > - 0 0 70 -2,-2.4 3,-1.8 19,-0.2 4,-0.2 -0.113 31.5-116.5 -60.8 150.1 2.0 14.7 14.2 26 35 A P G > S+ 0 0 18 0, 0.0 3,-1.8 0, 0.0 -10,-0.2 0.771 108.0 70.4 -62.8 -25.5 4.9 13.6 16.3 27 36 A N G > S+ 0 0 96 1,-0.3 3,-1.6 -12,-0.2 -15,-0.2 0.660 78.5 79.4 -69.4 -12.2 6.7 16.9 16.0 28 37 A R G X S+ 0 0 61 -3,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.736 86.7 59.5 -65.9 -20.3 4.1 18.5 18.2 29 38 A A G < S+ 0 0 0 -3,-1.8 107,-3.2 1,-0.2 -1,-0.3 0.396 110.5 40.2 -87.8 -0.4 5.9 17.0 21.2 30 39 A V G < S+ 0 0 3 -3,-1.6 -18,-2.5 105,-0.2 -1,-0.2 0.009 81.6 103.7-129.9 28.6 9.1 18.9 20.4 31 40 A D S < S- 0 0 63 -3,-0.7 -2,-0.1 2,-0.2 3,-0.1 0.363 93.8-111.1 -92.6 7.0 7.8 22.2 19.3 32 41 A G S S+ 0 0 41 1,-0.2 2,-0.6 104,-0.1 -30,-0.1 0.439 84.4 116.7 82.2 2.0 8.7 24.0 22.6 33 42 A N - 0 0 71 -5,-0.3 -2,-0.2 101,-0.2 -1,-0.2 -0.905 42.5-174.5-110.9 112.7 5.0 24.4 23.5 34 43 A R + 0 0 87 -2,-0.6 101,-0.1 -3,-0.1 100,-0.1 0.440 39.2 132.3 -85.5 0.2 3.8 22.6 26.7 35 44 A N - 0 0 71 1,-0.2 7,-0.2 99,-0.1 -2,-0.1 -0.359 41.3-163.1 -57.7 118.0 0.1 23.5 26.2 36 45 A G + 0 0 3 -2,-0.1 37,-2.8 36,-0.1 38,-1.2 0.290 51.9 114.2 -91.7 5.3 -1.7 20.1 26.7 37 46 A N > > - 0 0 54 36,-0.2 3,-1.8 35,-0.2 5,-0.6 -0.715 56.3-155.1 -76.2 112.8 -5.0 21.1 25.1 38 47 A F G > 5S+ 0 0 24 -2,-0.9 3,-1.6 1,-0.3 5,-0.4 0.866 89.1 60.1 -56.3 -37.3 -5.2 18.9 22.1 39 48 A N G 3 5S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.677 94.9 63.9 -70.5 -14.4 -7.5 21.3 20.2 40 49 A S G < 5S- 0 0 72 -3,-1.8 -1,-0.3 -5,-0.0 -2,-0.2 0.563 112.3-115.3 -90.4 -7.6 -4.9 24.1 20.4 41 50 A G T < 5S+ 0 0 28 -3,-1.6 -3,-0.1 -4,-0.5 -2,-0.1 0.443 87.6 99.9 103.2 2.5 -2.4 22.1 18.2 42 51 A S < + 0 0 1 -5,-0.6 2,-0.4 -7,-0.2 -11,-0.2 0.164 64.2 87.5-109.7 15.4 0.6 21.3 20.4 43 52 A V - 0 0 0 -5,-0.4 91,-0.2 -6,-0.2 -14,-0.1 -0.952 68.1-133.2-123.0 135.5 -0.3 17.7 21.3 44 53 A T - 0 0 0 89,-2.6 2,-0.3 -2,-0.4 -19,-0.2 -0.298 19.0-169.6 -75.6 169.5 0.5 14.5 19.4 45 54 A H - 0 0 6 -21,-2.5 -24,-2.0 87,-0.2 -21,-0.3 -0.865 4.3-170.2-162.9 120.0 -2.0 11.7 18.7 46 55 A T - 0 0 0 85,-1.1 -26,-0.2 -2,-0.3 2,-0.1 -0.518 32.6-102.9 -94.0 172.0 -1.5 8.2 17.3 47 56 A R - 0 0 149 -2,-0.2 2,-1.6 83,-0.1 84,-0.4 -0.244 57.9 -76.3 -73.8 178.7 -4.2 5.7 16.2 48 57 A A S S+ 0 0 63 80,-0.1 79,-0.1 82,-0.1 -1,-0.1 -0.610 73.8 177.2 -87.8 83.1 -5.1 2.8 18.6 49 58 A D > - 0 0 30 -2,-1.6 79,-3.1 80,-0.3 3,-0.7 -0.108 42.7 -92.1 -91.2 177.7 -1.9 0.7 17.8 50 59 A N T 3 S- 0 0 124 1,-0.7 77,-0.1 77,-0.2 2,-0.1 -0.590 121.1 -13.7-122.0 72.9 -0.5 -2.5 19.0 51 60 A P T 3 S- 0 0 19 0, 0.0 -1,-0.7 0, 0.0 2,-0.2 0.640 86.2-132.2-100.0 172.1 1.0 -0.7 20.9 52 61 A S < + 0 0 0 -3,-0.7 72,-2.2 77,-0.4 2,-0.3 -0.503 35.3 166.1 -67.1 142.2 1.1 3.0 20.4 53 62 A W E - C 0 123B 2 70,-0.2 -35,-2.7 -2,-0.2 2,-0.3 -0.975 23.0-159.2-156.6 164.7 4.6 4.7 20.7 54 63 A W E -BC 17 122B 0 68,-2.2 68,-3.2 -2,-0.3 2,-0.3 -0.974 13.7-170.1-146.2 147.8 6.4 7.9 20.0 55 64 A E E -BC 16 121B 4 -39,-3.1 -39,-2.3 -2,-0.3 2,-0.4 -0.997 14.6-153.2-148.1 142.0 10.2 8.5 19.6 56 65 A V E -BC 15 120B 0 64,-2.5 64,-2.0 -2,-0.3 2,-0.5 -0.946 11.4-153.2-113.1 144.0 12.7 11.3 19.4 57 66 A D E - C 0 119B 12 -43,-2.3 62,-0.2 -2,-0.4 61,-0.0 -0.961 5.6-163.7-117.2 113.4 16.0 11.0 17.6 58 67 A L E - 0 0 10 60,-3.4 2,-0.3 -2,-0.5 61,-0.1 0.516 34.8-130.3 -74.8 -8.0 18.7 13.3 18.8 59 68 A K E S+ 0 0 118 59,-0.3 2,-0.3 -45,-0.1 -1,-0.1 -0.030 84.4 35.5 85.4 -30.8 20.7 12.5 15.6 60 69 A K E S- 0 0 148 -2,-0.3 57,-0.1 58,-0.2 -2,-0.1 -0.960 101.4 -84.9-138.9 159.2 23.9 11.7 17.6 61 70 A M E + 0 0 89 -2,-0.3 2,-0.3 55,-0.1 57,-0.3 -0.409 54.0 168.3 -59.5 145.3 24.5 10.1 21.0 62 71 A D E - C 0 117B 47 55,-2.4 55,-2.9 53,-0.1 2,-0.4 -0.921 40.6 -90.4-150.7 167.1 24.2 12.6 23.9 63 72 A K E - C 0 116B 105 -2,-0.3 2,-0.6 53,-0.2 53,-0.2 -0.713 37.9-154.4 -84.9 134.1 24.1 12.3 27.7 64 73 A V E + C 0 115B 0 51,-2.1 51,-1.9 -2,-0.4 50,-0.4 -0.957 29.1 150.0-114.4 118.5 20.5 12.0 29.1 65 74 A G E + 0 0 1 74,-3.2 47,-2.6 -2,-0.6 2,-0.2 0.516 64.3 21.0-101.7-103.1 19.7 13.2 32.6 66 75 A L E - C 0 111B 54 75,-2.7 73,-2.6 45,-0.2 2,-0.4 -0.468 58.2-169.2 -74.3 134.6 16.2 14.5 33.2 67 76 A V E -DC 138 110B 0 43,-3.1 43,-3.4 71,-0.2 2,-0.5 -1.000 7.6-166.4-115.6 125.8 13.4 13.5 30.8 68 77 A K E -DC 137 109B 41 69,-2.6 69,-3.1 -2,-0.4 2,-0.5 -0.974 0.2-165.4-119.8 121.4 10.2 15.5 31.4 69 78 A I E -DC 136 108B 0 39,-2.7 39,-2.2 -2,-0.5 2,-0.6 -0.917 4.5-157.4-117.8 117.9 7.0 14.3 29.8 70 79 A Y E -DC 135 107B 32 65,-3.2 64,-2.3 -2,-0.5 65,-1.4 -0.885 15.8-143.9 -97.9 123.4 4.0 16.6 29.6 71 80 A N E -D 133 0B 9 35,-2.6 62,-0.2 -2,-0.6 2,-0.1 -0.313 26.6 -91.3 -77.4 161.3 0.6 14.9 29.2 72 81 A R - 0 0 30 60,-0.7 -35,-0.2 4,-0.1 -1,-0.1 -0.484 42.5-174.3 -59.4 145.7 -2.5 15.9 27.3 73 82 A T + 0 0 52 -37,-2.8 -36,-0.2 -2,-0.1 4,-0.1 0.578 64.6 67.7-125.7 -21.8 -4.6 17.9 29.7 74 83 A D S S- 0 0 59 -38,-1.2 2,-0.3 1,-0.2 -37,-0.1 0.832 114.0 -17.9 -76.0 -27.8 -8.0 18.7 28.0 75 84 A A S S+ 0 0 34 1,-0.0 -1,-0.2 2,-0.0 -37,-0.1 -0.984 115.4 31.2-166.5 159.4 -9.2 15.1 28.0 76 85 A E > + 0 0 88 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 0.767 58.2 158.9 56.0 36.4 -8.3 11.4 28.2 77 86 A T G > + 0 0 68 1,-0.3 3,-1.5 2,-0.2 26,-0.1 0.805 63.7 68.1 -62.9 -29.4 -5.4 12.1 30.6 78 87 A Q G 3 S+ 0 0 111 1,-0.3 -1,-0.3 24,-0.1 -2,-0.1 0.616 77.7 82.6 -69.7 -9.5 -5.5 8.5 31.8 79 88 A R G < S+ 0 0 61 -3,-2.0 2,-1.7 1,-0.2 -1,-0.3 0.845 77.3 72.4 -61.4 -33.5 -4.3 7.3 28.4 80 89 A L S < S+ 0 0 4 -3,-1.5 23,-0.3 -4,-0.3 2,-0.3 -0.612 81.1 103.2 -84.9 83.9 -0.7 8.2 29.5 81 90 A S + 0 0 37 -2,-1.7 44,-0.4 1,-0.2 45,-0.3 -0.938 61.6 30.4-156.8 161.9 -0.4 5.2 31.9 82 91 A N S S+ 0 0 60 19,-1.9 43,-2.5 -2,-0.3 44,-0.5 0.931 88.9 144.5 43.6 58.8 1.3 1.8 32.0 83 92 A F E -EF 100 124B 0 17,-2.3 17,-3.2 41,-0.2 2,-0.4 -0.946 46.6-137.1-129.2 152.1 4.1 3.0 29.8 84 93 A D E -EF 99 123B 12 39,-2.7 39,-2.7 -2,-0.3 2,-0.5 -0.828 5.4-156.0-101.3 142.0 7.8 2.6 29.3 85 94 A V E -EF 98 122B 0 13,-2.6 13,-2.3 -2,-0.4 2,-0.4 -0.990 26.4-170.2-113.0 121.4 10.3 5.3 28.6 86 95 A I E -EF 97 121B 1 35,-3.0 35,-2.9 -2,-0.5 2,-0.4 -0.934 19.4-152.7-129.6 132.7 13.2 3.8 26.8 87 96 A L E -EF 96 120B 0 9,-2.7 8,-3.1 -2,-0.4 9,-1.2 -0.815 16.8-174.2-102.1 138.6 16.7 5.0 25.9 88 97 A Y E -EF 94 119B 30 31,-2.1 30,-2.5 -2,-0.4 31,-2.1 -0.967 15.5-132.5-131.7 149.2 18.5 3.5 22.9 89 98 A D > - 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