==== 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 2J22 . COMPND 2 MOLECULE: FUCOLECTIN-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.B.BORASTON,D.WANG,R.D.BURKE . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 67.9 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 . 49 35.8 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 . 1 0.7 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.9 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 . 1 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 0 1 0 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 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 13 A L 0 0 106 0, 0.0 2,-0.3 0, 0.0 135,-0.2 0.000 360.0 360.0 360.0 131.7 4.7 3.6 -5.3 2 14 A S E -A 135 0A 69 133,-2.8 133,-2.0 131,-0.0 2,-1.4 -0.962 360.0-123.7-122.9 147.7 1.4 4.8 -3.9 3 15 A N E > +A 134 0A 23 -2,-0.3 3,-1.0 131,-0.2 131,-0.3 -0.694 31.1 174.9 -86.4 90.6 0.5 5.5 -0.2 4 16 A I T 3 + 0 0 26 129,-1.9 -1,-0.2 -2,-1.4 130,-0.1 0.601 63.3 82.9 -78.1 -3.4 -2.5 3.3 0.3 5 17 A A T > + 0 0 0 128,-0.8 3,-2.6 2,-0.1 -1,-0.2 0.831 61.9 118.8 -57.3 -35.8 -2.6 4.1 4.1 6 18 A L T < S- 0 0 68 -3,-1.0 20,-0.2 1,-0.3 3,-0.1 -0.112 93.1 -15.0 -46.8 117.2 -4.5 7.3 3.4 7 19 A T T 3 S+ 0 0 125 18,-1.7 -1,-0.3 15,-0.2 3,-0.1 0.493 93.7 147.5 66.1 8.4 -7.9 7.3 5.0 8 20 A K < - 0 0 56 -3,-2.6 2,-0.4 1,-0.1 -1,-0.2 -0.205 64.2 -80.6 -58.1 163.4 -7.9 3.5 5.6 9 21 A E E -B 52 0A 143 43,-0.8 43,-2.7 -3,-0.1 2,-0.3 -0.595 58.1-175.6 -73.6 127.5 -9.7 2.5 8.8 10 22 A T E +B 51 0A 29 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.841 11.4 172.5-117.4 159.5 -7.6 3.0 11.9 11 23 A R E -B 50 0A 130 39,-2.5 39,-3.1 -2,-0.3 2,-0.3 -0.984 7.1-166.4-153.7 169.7 -8.0 2.2 15.5 12 24 A Q E -B 49 0A 21 -2,-0.3 37,-0.2 37,-0.2 3,-0.1 -0.954 40.7 -94.8-154.7 169.4 -5.9 2.3 18.8 13 25 A S S S- 0 0 34 35,-2.1 2,-0.3 -2,-0.3 36,-0.1 0.843 98.8 -32.4 -59.5 -39.8 -5.8 1.2 22.4 14 26 A S - 0 0 23 34,-0.3 2,-0.4 28,-0.1 -1,-0.2 -0.968 61.6-117.0-165.9 177.9 -7.3 4.5 23.6 15 27 A T + 0 0 54 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.982 25.5 173.6-133.6 135.9 -7.4 8.2 22.8 16 28 A D > + 0 0 42 24,-2.6 3,-2.0 -2,-0.4 -2,-0.0 -0.959 64.9 12.5-132.0 149.2 -6.1 11.2 24.7 17 29 A Y T 3 S- 0 0 158 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.828 124.7 -64.9 64.8 34.9 -5.9 14.9 23.8 18 30 A N T 3 S+ 0 0 118 1,-0.2 2,-1.6 -3,-0.1 -1,-0.3 0.805 91.2 151.3 54.6 27.0 -7.9 14.6 20.7 19 31 A G < - 0 0 0 -3,-2.0 21,-2.1 21,-0.3 -3,-0.2 -0.367 27.4-170.5 -87.1 65.0 -5.2 12.4 19.2 20 32 A F > - 0 0 70 -2,-1.6 3,-2.0 19,-0.2 4,-0.2 -0.169 31.8-121.9 -63.6 143.9 -7.4 10.3 17.0 21 33 A S G > S+ 0 0 18 1,-0.3 3,-1.8 2,-0.2 -10,-0.2 0.799 109.5 65.4 -46.3 -35.5 -6.0 7.2 15.3 22 34 A R G > S+ 0 0 149 1,-0.3 3,-2.1 -12,-0.2 -1,-0.3 0.655 81.4 79.5 -66.7 -17.0 -6.9 8.7 11.8 23 35 A L G X S+ 0 0 17 -3,-2.0 3,-0.6 1,-0.3 5,-0.3 0.727 84.9 61.3 -69.1 -20.8 -4.4 11.5 12.4 24 36 A A G < S+ 0 0 0 -3,-1.8 107,-2.6 -4,-0.2 -1,-0.3 0.521 111.4 37.3 -83.0 -0.7 -1.7 9.0 11.4 25 37 A V G < S+ 0 0 2 -3,-2.1 -18,-1.7 105,-0.2 -1,-0.2 0.133 82.0 103.7-133.5 26.1 -3.2 8.6 7.9 26 38 A D S < S- 0 0 72 -3,-0.6 -3,-0.1 2,-0.2 -2,-0.1 0.425 93.7-110.9 -84.8 1.1 -4.5 12.1 7.0 27 39 A G S S+ 0 0 46 1,-0.2 2,-0.5 -3,-0.1 103,-0.1 0.601 83.6 115.3 77.8 16.0 -1.6 12.8 4.7 28 40 A N - 0 0 66 -5,-0.3 -2,-0.2 101,-0.2 -1,-0.2 -0.969 42.5-172.7-122.9 114.7 0.1 15.4 6.9 29 41 A K + 0 0 104 -2,-0.5 2,-0.2 -3,-0.1 101,-0.1 0.387 39.3 131.5 -87.3 3.1 3.5 14.5 8.3 30 42 A N - 0 0 60 1,-0.1 7,-0.2 99,-0.1 -2,-0.1 -0.364 38.5-166.7 -57.2 121.7 3.8 17.5 10.7 31 43 A G + 0 0 4 -2,-0.2 37,-2.6 36,-0.1 38,-1.2 0.361 51.0 114.4 -95.4 8.6 4.8 16.1 14.1 32 44 A D > > - 0 0 57 36,-0.2 3,-2.2 35,-0.2 5,-0.5 -0.713 66.4-140.8 -77.5 116.2 4.1 19.3 16.0 33 45 A Y G > 5S+ 0 0 31 -2,-0.7 3,-1.8 1,-0.3 5,-0.4 0.819 96.1 56.7 -50.5 -36.7 1.2 18.2 18.3 34 46 A G G 3 5S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.497 88.7 73.6 -83.7 -1.0 -0.7 21.5 18.0 35 47 A H G < 5S- 0 0 116 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.367 106.8-128.5 -82.5 0.6 -0.8 21.2 14.3 36 48 A H T < 5S+ 0 0 142 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.719 79.5 107.3 65.3 31.3 -3.4 18.5 15.1 37 49 A S < + 0 0 0 -5,-0.5 2,-0.4 -7,-0.2 -11,-0.2 0.174 54.1 91.8-125.6 25.2 -1.9 15.8 12.9 38 50 A V - 0 0 1 -5,-0.4 91,-0.3 -6,-0.1 -14,-0.1 -0.961 67.0-132.8-124.2 131.0 -0.5 13.5 15.6 39 51 A T - 0 0 0 89,-2.3 2,-0.3 -2,-0.4 -19,-0.2 -0.257 21.5-168.9 -71.1 166.3 -2.2 10.5 17.4 40 52 A H - 0 0 8 -21,-2.1 -24,-2.6 87,-0.2 -21,-0.3 -0.869 4.7-165.8-162.0 115.3 -2.2 10.1 21.2 41 53 A T - 0 0 0 85,-1.3 -26,-0.2 -2,-0.3 6,-0.1 -0.589 30.5-103.8 -87.9 166.5 -3.2 7.2 23.4 42 54 A K - 0 0 95 -2,-0.2 2,-2.2 83,-0.1 84,-0.4 -0.193 59.1 -73.8 -64.4-176.9 -3.8 7.2 27.1 43 55 A E S S+ 0 0 143 82,-0.1 81,-0.1 -2,-0.1 -1,-0.1 -0.446 76.8 175.2 -85.8 72.8 -1.1 5.7 29.3 44 56 A D > - 0 0 34 -2,-2.2 79,-2.8 80,-0.3 3,-0.8 -0.233 40.5-108.5 -90.1 173.4 -2.0 2.1 28.3 45 57 A S T 3 S- 0 0 102 1,-0.7 77,-0.1 77,-0.2 2,-0.1 -0.584 116.3 -1.3-132.0 73.4 -0.5 -1.3 29.0 46 58 A P T 3 S- 0 0 56 0, 0.0 -1,-0.7 0, 0.0 2,-0.3 0.470 86.6-148.5 -90.7 165.5 0.5 -1.5 26.2 47 59 A S < + 0 0 0 -3,-0.8 72,-2.4 77,-0.4 2,-0.3 -0.684 31.3 164.7 -74.3 137.7 -0.3 1.4 24.0 48 60 A W E - C 0 118A 39 -2,-0.3 -35,-2.1 70,-0.2 -34,-0.3 -0.966 25.7-154.9-151.0 166.4 -0.8 0.4 20.4 49 61 A W E -BC 12 117A 0 68,-2.3 68,-3.0 -2,-0.3 2,-0.3 -0.990 13.9-165.7-144.1 146.4 -2.2 1.6 17.1 50 62 A E E -BC 11 116A 10 -39,-3.1 -39,-2.5 -2,-0.3 2,-0.4 -0.988 11.5-158.1-141.8 148.5 -3.5 -0.3 14.1 51 63 A I E -BC 10 115A 0 64,-2.7 64,-2.1 -2,-0.3 2,-0.6 -0.981 9.4-152.2-128.0 133.7 -4.4 0.1 10.4 52 64 A D E -BC 9 114A 40 -43,-2.7 -43,-0.8 -2,-0.4 62,-0.2 -0.951 1.8-161.7-105.7 112.8 -6.7 -2.1 8.4 53 65 A L E - 0 0 1 60,-3.6 2,-0.3 -2,-0.6 61,-0.1 0.499 34.3-126.1 -76.5 -3.8 -5.8 -2.0 4.6 54 66 A A E S+ 0 0 65 59,-0.4 2,-0.3 -45,-0.1 -1,-0.1 -0.001 83.3 19.3 85.1 -30.6 -9.2 -3.5 3.7 55 67 A Q E S- 0 0 114 -2,-0.3 57,-0.1 58,-0.2 -2,-0.0 -0.951 101.9 -73.0-153.7 167.4 -7.7 -6.3 1.7 56 68 A T E - 0 0 49 -2,-0.3 2,-0.3 55,-0.1 57,-0.2 -0.307 54.4-174.1 -57.8 135.0 -4.4 -8.1 1.4 57 69 A E E - C 0 112A 50 55,-2.5 55,-2.2 53,-0.1 2,-0.8 -0.955 33.2-112.9-133.7 152.6 -1.8 -6.0 -0.3 58 70 A E E - C 0 111A 108 -2,-0.3 2,-0.5 53,-0.2 78,-0.4 -0.819 41.3-146.6 -81.8 112.4 1.8 -6.5 -1.5 59 71 A L E + C 0 110A 0 51,-3.3 50,-1.5 -2,-0.8 51,-0.7 -0.722 28.5 169.7 -96.4 124.5 3.7 -4.2 0.8 60 72 A E E + 0 0 44 74,-3.1 47,-3.2 -2,-0.5 48,-1.0 0.861 64.7 2.2 -96.5 -45.9 6.8 -2.4 -0.5 61 73 A K E -DC 134 106A 59 73,-1.3 73,-2.5 45,-0.3 2,-0.4 -0.993 50.1-156.9-147.9 145.3 7.6 0.1 2.1 62 74 A L E -DC 133 105A 1 43,-2.8 43,-3.0 -2,-0.3 2,-0.4 -0.998 13.0-172.0-119.7 128.0 6.5 1.3 5.6 63 75 A I E -DC 132 104A 15 69,-2.7 69,-3.8 -2,-0.4 2,-0.5 -0.991 2.2-167.7-120.3 126.0 7.3 4.8 6.7 64 76 A I E -DC 131 103A 0 39,-2.3 39,-2.1 -2,-0.4 2,-0.5 -0.972 4.7-160.1-111.2 125.4 6.6 5.9 10.4 65 77 A Y E -DC 130 102A 39 65,-3.5 64,-1.6 -2,-0.5 65,-1.3 -0.916 15.1-144.2-107.8 122.8 6.8 9.7 11.3 66 78 A N E -D 128 0A 9 35,-2.9 62,-0.2 -2,-0.5 6,-0.1 -0.482 25.9 -91.5 -81.8 160.8 7.3 10.5 15.0 67 79 A R - 0 0 31 60,-0.7 -35,-0.2 -2,-0.1 -1,-0.1 -0.370 41.4-173.1 -53.7 149.4 5.9 13.3 17.1 68 80 A T + 0 0 61 -37,-2.6 -36,-0.2 -3,-0.1 4,-0.1 0.555 62.4 68.8-128.0 -20.4 8.5 16.2 17.1 69 81 A D S S- 0 0 66 -38,-1.2 2,-0.3 1,-0.2 -37,-0.1 0.889 112.8 -22.4 -76.9 -34.4 7.5 19.0 19.5 70 82 A A S S+ 0 0 41 1,-0.0 -1,-0.2 2,-0.0 -37,-0.1 -0.946 118.4 34.2-163.3 167.7 8.0 17.1 22.8 71 83 A E > + 0 0 81 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 0.761 61.0 153.5 48.4 35.5 8.2 13.6 24.3 72 84 A I G > + 0 0 90 1,-0.3 3,-1.4 2,-0.1 -1,-0.1 0.765 60.0 71.8 -68.0 -21.1 9.8 12.2 21.2 73 85 A Q G 3 S+ 0 0 110 1,-0.3 -1,-0.3 24,-0.1 -2,-0.1 0.601 75.5 80.7 -67.0 -17.8 11.4 9.4 23.2 74 86 A R G < S+ 0 0 55 -3,-1.8 2,-1.7 1,-0.2 -1,-0.3 0.801 76.5 72.8 -64.3 -26.7 8.1 7.7 23.7 75 87 A L S < S+ 0 0 4 -3,-1.4 23,-0.6 -4,-0.2 2,-0.3 -0.631 82.0 99.4 -87.9 80.1 8.4 6.1 20.2 76 88 A S E +E 97 0A 39 -2,-1.7 44,-0.4 1,-0.2 45,-0.3 -0.968 62.8 31.8-156.7 161.3 11.1 3.6 21.2 77 89 A N E S+ 0 0 56 19,-2.8 43,-2.5 -2,-0.3 44,-0.5 0.954 89.3 142.3 48.8 61.4 11.4 -0.1 22.2 78 90 A F E -EF 95 119A 0 17,-2.5 17,-3.5 41,-0.2 2,-0.4 -0.862 47.8-129.1-132.6 163.2 8.5 -1.0 20.0 79 91 A D E -EF 94 118A 18 39,-2.8 39,-2.6 -2,-0.3 2,-0.5 -0.929 4.4-156.5-114.3 143.0 7.1 -3.7 17.7 80 92 A I E -EF 93 117A 1 13,-2.6 13,-2.8 -2,-0.4 2,-0.4 -0.977 21.7-173.3-105.8 124.7 5.8 -3.4 14.2 81 93 A I E -EF 92 116A 26 35,-2.6 35,-2.4 -2,-0.5 2,-0.4 -0.987 9.4-163.4-126.3 127.6 3.5 -6.4 13.6 82 94 A I E -EF 91 115A 0 9,-2.8 8,-3.6 -2,-0.4 9,-1.2 -0.913 10.1-166.3-112.5 134.7 1.9 -7.3 10.2 83 95 A Y E -EF 89 114A 40 31,-2.4 30,-2.7 -2,-0.4 31,-1.4 -0.861 16.9-122.3-119.3 155.5 -1.0 -9.7 9.9 84 96 A D > - 0 0 42 4,-2.7 3,-2.0 -2,-0.3 28,-0.1 -0.206 48.7 -83.5 -82.6-177.1 -2.6 -11.6 7.0 85 97 A S T 3 S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.1 27,-0.0 0.551 131.0 58.0 -65.3 -11.6 -6.4 -11.3 6.2 86 98 A N T 3 S- 0 0 115 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.184 118.5-110.3-102.0 14.0 -7.1 -13.9 8.8 87 99 A D S < S+ 0 0 92 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.657 74.0 134.4 67.7 21.0 -5.5 -11.8 11.6 88 100 A Y - 0 0 167 1,-0.1 -4,-2.7 2,-0.0 -1,-0.3 -0.816 64.4-100.2 -97.6 142.7 -2.5 -14.1 12.1 89 101 A E E +E 83 0A 116 -2,-0.4 -6,-0.3 -6,-0.3 3,-0.1 -0.318 40.5 170.4 -60.5 129.7 1.0 -12.6 12.3 90 102 A V E + 0 0 53 -8,-3.6 2,-0.3 1,-0.4 -7,-0.2 0.500 68.6 9.7-114.1 -7.1 3.0 -12.7 9.1 91 103 A F E -E 82 0A 59 -9,-1.2 -9,-2.8 19,-0.0 2,-0.4 -0.894 57.9-170.9-170.5 134.1 6.0 -10.5 10.1 92 104 A T E -E 81 0A 58 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.999 3.6-177.9-134.0 138.0 7.3 -8.8 13.3 93 105 A Q E -E 80 0A 77 -13,-2.8 -13,-2.6 -2,-0.4 2,-0.4 -0.987 15.6-145.5-135.6 133.1 10.1 -6.3 13.7 94 106 A H E -E 79 0A 63 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.765 10.9-159.5 -96.0 135.5 11.4 -4.8 17.0 95 107 A I E -E 78 0A 14 -17,-3.5 -17,-2.5 -2,-0.4 -18,-0.2 -0.954 11.8-172.5-117.0 126.3 12.6 -1.2 17.1 96 108 A D E - 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