==== 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 2J1V . 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) . 12646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 66.8 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 . 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 . 30 10.8 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 0 129 0, 0.0 7,-3.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -5.4 15.3 25.0 23.2 2 11 A F E +A 7 0A 140 5,-0.2 2,-0.4 3,-0.1 5,-0.2 -0.907 360.0 178.7-104.6 127.4 15.9 26.2 26.8 3 12 A N E > S-A 6 0A 27 3,-2.6 3,-1.0 -2,-0.5 29,-0.0 -0.976 75.5 -7.8-133.9 122.3 13.4 25.0 29.6 4 13 A D T 3 S- 0 0 119 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.779 130.9 -63.7 54.8 30.2 13.7 25.9 33.2 5 14 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 3,-0.0 -1,-0.2 0.686 113.7 115.5 72.1 22.7 16.9 27.4 31.9 6 15 A N E < S-A 3 0A 78 -3,-1.0 -3,-2.6 135,-0.0 2,-0.5 -0.900 75.7 -99.1-118.4 149.6 18.4 24.0 30.8 7 16 A L E -A 2 0A 52 -2,-0.3 2,-1.0 -5,-0.2 133,-0.5 -0.567 29.6-151.5 -69.8 117.0 19.2 22.9 27.3 8 17 A N > - 0 0 2 -7,-3.6 3,-0.9 -2,-0.5 131,-0.2 -0.808 10.1-171.4 -91.0 102.4 16.4 20.7 25.9 9 18 A I T 3 S+ 0 0 7 129,-2.1 -1,-0.1 -2,-1.0 130,-0.1 0.530 79.8 62.7 -74.1 -7.9 18.3 18.5 23.5 10 19 A A T > S+ 0 0 0 128,-0.6 3,-2.2 -9,-0.1 -1,-0.2 0.701 73.8 116.2 -83.7 -24.8 15.0 17.0 22.2 11 20 A Y T < S- 0 0 92 -3,-0.9 20,-0.2 1,-0.3 19,-0.1 -0.244 91.6 -6.2 -55.4 126.9 13.7 20.4 20.9 12 21 A A T 3 S+ 0 0 75 18,-2.2 -1,-0.3 1,-0.2 19,-0.1 0.517 97.4 140.8 66.0 11.3 13.2 20.3 17.1 13 22 A K < - 0 0 58 -3,-2.2 -1,-0.2 1,-0.1 45,-0.1 -0.410 64.3 -83.1 -76.6 157.4 14.8 16.9 16.7 14 23 A P - 0 0 56 0, 0.0 43,-2.8 0, 0.0 2,-0.3 -0.363 53.7-171.2 -60.4 139.8 13.4 14.4 14.3 15 24 A T E -B 56 0B 24 41,-0.2 2,-0.3 -3,-0.1 41,-0.2 -0.914 13.0-177.8-131.2 156.1 10.5 12.4 15.6 16 25 A T E -B 55 0B 37 39,-2.4 39,-2.7 -2,-0.3 2,-0.3 -0.940 3.7-170.9-141.2 164.4 8.4 9.4 14.6 17 26 A Q E -B 54 0B 5 -2,-0.3 37,-0.3 37,-0.3 3,-0.1 -0.948 41.3 -96.6-151.4 175.8 5.4 7.6 16.0 18 27 A S S S- 0 0 4 35,-2.5 2,-0.3 -2,-0.3 36,-0.1 0.797 96.8 -36.2 -66.6 -32.9 3.4 4.4 15.4 19 28 A S - 0 0 21 34,-0.3 2,-0.4 28,-0.1 -1,-0.2 -0.937 61.8-110.6-171.9 176.2 0.8 6.2 13.3 20 29 A V + 0 0 46 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.984 28.4 172.4-126.3 136.8 -1.0 9.6 13.2 21 30 A D > + 0 0 59 24,-2.3 3,-2.4 -2,-0.4 -2,-0.0 -0.973 69.6 14.1-133.5 157.9 -4.6 10.5 13.9 22 31 A Y T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.781 124.3 -72.8 49.9 31.7 -6.4 13.9 14.1 23 32 A N T 3 S+ 0 0 121 1,-0.2 2,-2.1 22,-0.1 -1,-0.3 0.682 87.7 153.5 58.8 21.1 -3.3 15.4 12.5 24 33 A G < - 0 0 0 -3,-2.4 21,-2.5 21,-0.3 -1,-0.2 -0.362 26.3-170.3 -80.0 65.4 -1.4 14.9 15.8 25 34 A D > - 0 0 68 -2,-2.1 3,-1.9 19,-0.2 4,-0.2 -0.136 31.0-117.4 -62.8 148.5 2.0 14.7 14.2 26 35 A P G > S+ 0 0 19 0, 0.0 3,-1.8 0, 0.0 -10,-0.2 0.759 107.2 71.3 -64.5 -23.5 5.0 13.5 16.3 27 36 A N G > S+ 0 0 95 1,-0.3 3,-1.8 -12,-0.2 -15,-0.2 0.703 79.4 78.3 -64.9 -13.4 6.8 16.8 16.0 28 37 A R G X S+ 0 0 59 -3,-1.9 3,-0.7 1,-0.3 5,-0.3 0.756 86.2 59.9 -69.2 -16.7 4.2 18.4 18.2 29 38 A A G < S+ 0 0 0 -3,-1.8 107,-2.8 1,-0.2 -1,-0.3 0.510 111.0 39.7 -88.0 -1.5 6.0 16.9 21.2 30 39 A V G < S+ 0 0 4 -3,-1.8 -18,-2.2 105,-0.2 -1,-0.2 0.022 82.5 104.3-129.3 26.7 9.2 18.7 20.4 31 40 A D S < S- 0 0 61 -3,-0.7 -2,-0.1 2,-0.2 -3,-0.1 0.406 93.4-111.1 -93.5 6.1 7.8 22.1 19.4 32 41 A G S S+ 0 0 37 1,-0.2 2,-0.6 104,-0.1 103,-0.1 0.491 84.2 116.5 79.1 7.9 8.7 23.9 22.6 33 42 A N - 0 0 67 -5,-0.3 -2,-0.2 101,-0.2 -1,-0.2 -0.936 43.4-173.5-115.7 111.8 5.1 24.2 23.6 34 43 A R + 0 0 83 -2,-0.6 101,-0.1 -3,-0.1 -1,-0.1 0.476 40.5 132.4 -83.2 -3.7 3.9 22.4 26.8 35 44 A N - 0 0 72 1,-0.2 7,-0.1 99,-0.1 -2,-0.1 -0.306 39.4-166.1 -52.2 117.9 0.2 23.2 26.2 36 45 A G + 0 0 4 36,-0.1 37,-2.5 7,-0.1 38,-1.2 0.315 50.7 113.1 -94.5 8.8 -1.7 20.0 26.7 37 46 A N > > - 0 0 67 36,-0.2 3,-1.9 35,-0.2 5,-0.6 -0.710 58.8-151.6 -79.4 110.9 -5.0 21.0 25.2 38 47 A F G > 5S+ 0 0 20 -2,-0.8 3,-1.5 1,-0.3 5,-0.4 0.852 92.1 59.5 -51.6 -38.9 -5.2 18.9 22.1 39 48 A N G 3 5S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.638 93.0 68.8 -71.4 -8.9 -7.3 21.4 20.2 40 49 A S G < 5S- 0 0 55 -3,-1.9 -1,-0.2 -5,-0.0 -2,-0.2 0.540 109.6-116.5 -84.7 -11.1 -4.5 24.0 20.6 41 50 A G T < 5S+ 0 0 30 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.455 89.0 98.8 99.0 -3.1 -2.2 22.1 18.2 42 51 A S < + 0 0 0 -5,-0.6 2,-0.4 -7,-0.1 -11,-0.2 0.274 62.8 86.1-104.0 13.7 0.7 21.2 20.5 43 52 A V - 0 0 0 -5,-0.4 91,-0.2 -6,-0.2 -14,-0.1 -0.927 67.9-132.3-123.7 133.8 -0.2 17.6 21.3 44 53 A T - 0 0 0 89,-2.6 2,-0.3 -2,-0.4 -19,-0.2 -0.270 20.2-170.1 -75.1 168.9 0.6 14.4 19.4 45 54 A H - 0 0 7 -21,-2.5 -24,-2.3 87,-0.2 -21,-0.3 -0.826 4.9-171.6-165.6 120.3 -1.9 11.7 18.6 46 55 A T - 0 0 0 85,-1.2 -26,-0.2 -26,-0.3 2,-0.1 -0.552 33.2-101.7 -97.2 170.1 -1.6 8.2 17.2 47 56 A R - 0 0 150 -2,-0.2 2,-1.8 83,-0.1 84,-0.4 -0.257 58.0 -77.5 -71.0 178.0 -4.2 5.8 16.1 48 57 A A S S+ 0 0 54 82,-0.1 -1,-0.1 80,-0.1 79,-0.1 -0.584 73.7 176.6 -85.0 83.2 -5.1 2.9 18.5 49 58 A D > - 0 0 26 -2,-1.8 79,-3.1 80,-0.4 3,-0.7 -0.081 41.5 -90.9 -87.6-179.8 -2.1 0.8 17.6 50 59 A N T 3 S- 0 0 116 1,-0.7 77,-0.1 77,-0.2 2,-0.1 -0.619 120.4 -14.2-126.3 72.4 -0.6 -2.5 18.9 51 60 A P T 3 S- 0 0 24 0, 0.0 -1,-0.7 0, 0.0 2,-0.2 0.660 87.8-130.6-101.1 174.3 0.8 -0.8 20.8 52 61 A S < + 0 0 0 -3,-0.7 72,-2.2 77,-0.4 2,-0.3 -0.509 34.4 168.5 -72.6 142.3 1.1 2.9 20.3 53 62 A W E - C 0 123B 2 70,-0.2 -35,-2.5 -2,-0.2 -34,-0.3 -0.975 21.9-162.5-151.2 163.1 4.5 4.5 20.5 54 63 A W E -BC 17 122B 0 68,-2.1 68,-2.8 -2,-0.3 2,-0.3 -0.964 14.4-171.8-144.3 147.4 6.4 7.8 19.9 55 64 A E E -BC 16 121B 3 -39,-2.7 -39,-2.4 -2,-0.3 2,-0.4 -0.991 16.1-150.7-148.7 144.5 10.1 8.4 19.6 56 65 A V E -BC 15 120B 0 64,-2.4 64,-2.0 -2,-0.3 2,-0.5 -0.913 12.3-150.4-110.6 140.7 12.7 11.2 19.3 57 66 A D E - C 0 119B 13 -43,-2.8 62,-0.2 -2,-0.4 61,-0.0 -0.951 4.4-163.4-110.6 112.4 16.0 10.7 17.5 58 67 A L E - 0 0 3 60,-3.1 61,-0.1 -2,-0.5 -1,-0.1 0.480 36.6-127.5 -76.2 -5.5 18.8 12.9 18.9 59 68 A K E S+ 0 0 131 59,-0.3 2,-0.3 -45,-0.1 95,-0.1 -0.011 82.9 27.9 85.0 -23.1 20.7 12.3 15.6 60 69 A K E S- 0 0 106 58,-0.2 -2,-0.1 57,-0.1 2,-0.1 -0.952 102.8 -72.3-152.5 162.7 23.8 11.1 17.5 61 70 A M E + 0 0 84 -2,-0.3 2,-0.2 55,-0.1 57,-0.2 -0.409 57.5 166.8 -58.6 135.9 24.7 9.5 20.8 62 71 A D E - C 0 117B 19 55,-2.2 55,-2.2 -2,-0.1 2,-0.5 -0.730 39.6-100.0-140.3-177.6 24.2 11.8 23.7 63 72 A K E - C 0 116B 124 -2,-0.2 2,-0.6 53,-0.2 53,-0.2 -0.981 35.3-148.6-117.7 121.8 24.1 11.5 27.5 64 73 A V E + C 0 115B 0 51,-2.7 50,-1.4 -2,-0.5 51,-1.1 -0.824 28.8 155.1-103.5 123.2 20.6 11.5 28.9 65 74 A G E + 0 0 0 74,-3.1 47,-2.7 -2,-0.6 2,-0.3 0.538 63.6 14.7-100.9-108.1 19.8 12.9 32.4 66 75 A L E - C 0 111B 49 75,-2.0 73,-2.8 45,-0.2 2,-0.4 -0.529 58.2-169.1 -74.6 132.6 16.3 14.2 33.0 67 76 A V E -DC 138 110B 0 43,-2.9 43,-2.8 -2,-0.3 2,-0.5 -0.997 7.7-166.3-115.9 119.9 13.5 13.3 30.7 68 77 A K E -DC 137 109B 53 69,-2.8 69,-2.7 -2,-0.4 2,-0.5 -0.956 0.4-164.3-112.2 122.4 10.3 15.2 31.4 69 78 A I E -DC 136 108B 0 39,-2.8 39,-2.0 -2,-0.5 2,-0.5 -0.939 3.4-157.9-113.4 123.6 7.1 14.0 29.8 70 79 A Y E -DC 135 107B 20 65,-3.1 64,-2.3 -2,-0.5 65,-1.3 -0.862 15.5-143.5-106.6 119.5 4.1 16.4 29.6 71 80 A N E -D 133 0B 10 35,-2.6 62,-0.2 -2,-0.5 2,-0.1 -0.359 26.2 -91.7 -76.1 158.7 0.6 14.7 29.2 72 81 A R - 0 0 27 60,-0.7 -35,-0.2 4,-0.1 -1,-0.1 -0.456 41.8-172.6 -52.6 143.3 -2.4 15.8 27.3 73 82 A T + 0 0 51 -37,-2.5 -36,-0.2 -2,-0.1 4,-0.1 0.595 63.8 66.9-122.9 -19.9 -4.6 17.8 29.8 74 83 A D S S- 0 0 62 -38,-1.2 2,-0.3 1,-0.2 -37,-0.1 0.843 112.8 -18.9 -77.7 -30.5 -8.0 18.5 28.2 75 84 A A S S+ 0 0 37 1,-0.0 -1,-0.2 2,-0.0 -37,-0.1 -0.969 116.2 32.1-164.9 161.4 -9.3 15.0 28.0 76 85 A E > + 0 0 85 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 0.798 59.8 157.6 56.3 35.0 -8.4 11.3 28.1 77 86 A T G > + 0 0 66 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.761 61.9 69.7 -63.0 -27.3 -5.5 12.0 30.5 78 87 A Q G 3 S+ 0 0 111 1,-0.3 -1,-0.3 24,-0.1 -2,-0.1 0.581 76.4 82.1 -67.9 -14.2 -5.6 8.3 31.7 79 88 A R G < S+ 0 0 59 -3,-1.8 2,-1.8 1,-0.2 -1,-0.3 0.826 77.4 72.6 -59.5 -34.3 -4.3 7.1 28.3 80 89 A L S < S+ 0 0 4 -3,-1.3 23,-0.4 -4,-0.3 2,-0.3 -0.606 80.9 102.8 -84.8 81.3 -0.8 8.0 29.4 81 90 A S + 0 0 37 -2,-1.8 44,-0.4 1,-0.2 45,-0.3 -0.950 62.2 29.7-152.8 162.2 -0.5 5.1 31.8 82 91 A N S S+ 0 0 57 19,-2.0 43,-2.5 -2,-0.3 44,-0.5 0.930 88.0 142.7 44.7 62.5 1.2 1.7 31.9 83 92 A F E -EF 100 124B 0 17,-2.5 17,-3.0 41,-0.2 2,-0.3 -0.927 46.6-134.3-135.7 154.1 4.0 2.8 29.7 84 93 A D E -EF 99 123B 8 39,-2.7 39,-2.7 -2,-0.3 2,-0.5 -0.864 4.2-155.2-103.8 146.8 7.7 2.3 29.1 85 94 A V E -EF 98 122B 0 13,-2.6 13,-2.4 -2,-0.3 2,-0.4 -0.995 27.3-173.0-117.4 113.6 10.3 5.1 28.4 86 95 A I E -EF 97 121B 0 35,-2.8 35,-2.7 -2,-0.5 2,-0.4 -0.943 18.0-152.6-123.2 133.9 13.2 3.3 26.6 87 96 A L E -EF 96 120B 0 9,-2.6 8,-2.7 -2,-0.4 9,-1.2 -0.876 15.3-170.1-103.9 134.7 16.6 4.5 25.6 88 97 A Y E -EF 94 119B 32 31,-2.2 30,-2.8 -2,-0.4 31,-2.2 -0.955 14.1-131.8-124.0 147.7 18.3 3.0 22.6 89 98 A D > - 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