==== 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 2J1T . COMPND 2 MOLECULE: FUCOLECTIN-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.B.BORASTON,D.WANG,R.D.BURKE . 272 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 65.4 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 . 86 31.6 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 . 0 0.0 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 . 26 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.0 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 . 1 0 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 . 0 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 14 A G 0 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 30.4 16.5 27.2 31.7 2 15 A N - 0 0 122 134,-0.0 2,-0.6 133,-0.0 133,-0.0 -0.895 360.0 -90.1-122.3 158.6 18.4 24.2 30.4 3 16 A L - 0 0 106 -2,-0.3 2,-1.0 1,-0.1 133,-0.5 -0.588 32.5-151.2 -70.4 117.9 19.1 23.0 26.9 4 17 A N B > -A 135 0A 25 -2,-0.6 3,-1.0 1,-0.1 131,-0.2 -0.803 9.4-169.3 -89.4 99.8 16.3 20.7 25.8 5 18 A I T 3 S+ 0 0 8 129,-2.0 -1,-0.1 -2,-1.0 130,-0.1 0.535 80.7 62.8 -71.0 -8.8 18.2 18.5 23.3 6 19 A A T > S+ 0 0 0 128,-0.6 3,-2.1 2,-0.1 -1,-0.2 0.686 73.3 117.9 -84.5 -24.4 15.0 17.0 22.0 7 20 A Y T < S- 0 0 131 -3,-1.0 20,-0.2 1,-0.3 19,-0.1 -0.217 92.7 -8.6 -52.1 126.3 13.6 20.4 20.7 8 21 A A T 3 S+ 0 0 71 18,-2.3 -1,-0.3 15,-0.2 19,-0.1 0.569 97.2 141.5 61.1 15.1 13.1 20.2 16.9 9 22 A K < - 0 0 58 -3,-2.1 -1,-0.2 1,-0.1 45,-0.1 -0.419 65.2 -83.3 -76.6 156.5 14.8 16.8 16.5 10 23 A P - 0 0 56 0, 0.0 43,-2.7 0, 0.0 2,-0.3 -0.402 55.1-171.4 -59.2 139.2 13.4 14.3 14.1 11 24 A T E -B 52 0B 24 41,-0.2 2,-0.3 -3,-0.1 41,-0.2 -0.918 12.7-175.3-131.1 158.6 10.5 12.3 15.5 12 25 A T E -B 51 0B 34 39,-2.4 39,-3.0 -2,-0.3 2,-0.3 -0.967 2.2-172.8-140.4 164.4 8.4 9.3 14.6 13 26 A Q E -B 50 0B 5 -2,-0.3 37,-0.3 37,-0.3 3,-0.1 -0.939 41.9 -94.6-152.6 175.3 5.5 7.5 16.0 14 27 A S S S- 0 0 4 35,-2.5 2,-0.3 -2,-0.3 36,-0.1 0.788 96.0 -35.3 -63.6 -33.0 3.4 4.3 15.4 15 28 A S - 0 0 21 34,-0.3 2,-0.4 28,-0.1 26,-0.2 -0.924 62.6-110.3-168.8-180.0 0.8 6.1 13.2 16 29 A V + 0 0 49 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.986 28.6 173.0-129.2 138.0 -1.0 9.5 13.1 17 30 A D > + 0 0 58 24,-2.3 3,-2.6 -2,-0.4 -2,-0.1 -0.966 68.9 12.2-134.7 151.7 -4.6 10.3 13.8 18 31 A Y T 3 S- 0 0 150 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.783 124.6 -70.6 57.0 28.8 -6.3 13.7 14.0 19 32 A N T 3 S+ 0 0 121 1,-0.2 2,-2.2 22,-0.1 -1,-0.3 0.650 89.5 151.5 61.5 22.4 -3.2 15.3 12.4 20 33 A G < - 0 0 0 -3,-2.6 21,-2.4 21,-0.3 -1,-0.2 -0.330 26.2-173.6 -81.6 64.6 -1.4 14.7 15.6 21 34 A D > - 0 0 66 -2,-2.2 3,-1.8 19,-0.2 4,-0.2 -0.126 33.0-115.4 -63.8 153.3 2.0 14.4 14.0 22 35 A P G > S+ 0 0 18 0, 0.0 3,-1.7 0, 0.0 -10,-0.2 0.753 107.1 71.9 -68.5 -23.5 5.0 13.4 16.2 23 36 A N G > S+ 0 0 91 1,-0.3 3,-1.7 -12,-0.2 -15,-0.2 0.685 78.5 79.4 -66.1 -12.6 6.8 16.7 15.8 24 37 A R G X S+ 0 0 57 -3,-1.8 3,-0.8 1,-0.3 5,-0.3 0.764 85.4 60.4 -66.0 -19.6 4.2 18.3 18.0 25 38 A A G < S+ 0 0 0 -3,-1.7 107,-2.9 1,-0.2 -1,-0.3 0.492 110.3 40.3 -85.5 -2.4 6.0 16.8 21.1 26 39 A V G < S+ 0 0 3 -3,-1.7 -18,-2.3 105,-0.2 -1,-0.2 0.020 82.3 106.5-129.8 30.3 9.2 18.7 20.3 27 40 A D S < S- 0 0 62 -3,-0.8 -2,-0.1 2,-0.2 3,-0.1 0.413 92.8-109.5 -93.7 7.6 7.7 22.0 19.2 28 41 A G S S+ 0 0 48 1,-0.2 2,-0.6 -3,-0.1 -3,-0.1 0.426 85.9 115.1 82.4 5.4 8.7 24.0 22.3 29 42 A N - 0 0 66 -5,-0.3 -2,-0.2 101,-0.2 -1,-0.2 -0.918 43.4-175.3-118.9 116.0 5.0 24.1 23.4 30 43 A R + 0 0 131 -2,-0.6 101,-0.1 -3,-0.1 -1,-0.1 0.484 40.7 131.9 -83.4 -4.2 3.9 22.4 26.6 31 44 A N - 0 0 76 1,-0.2 -2,-0.1 99,-0.1 7,-0.1 -0.283 40.5-164.5 -55.6 125.7 0.2 23.2 26.0 32 45 A G + 0 0 3 36,-0.1 37,-2.4 7,-0.1 38,-1.1 0.365 51.0 113.9 -98.0 4.8 -1.7 19.9 26.6 33 46 A N > > - 0 0 64 36,-0.2 3,-2.2 35,-0.2 5,-0.6 -0.654 60.9-148.1 -78.3 117.0 -5.0 21.0 25.0 34 47 A F G > 5S+ 0 0 22 -2,-0.6 3,-1.5 1,-0.3 5,-0.4 0.871 96.4 59.7 -56.7 -33.2 -5.3 18.8 21.9 35 48 A N G 3 5S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.631 90.1 72.1 -72.7 -8.8 -7.1 21.6 20.1 36 49 A S G < 5S- 0 0 51 -3,-2.2 -1,-0.3 1,-0.0 -2,-0.2 0.594 106.1-122.4 -73.4 -19.2 -4.1 23.9 20.5 37 50 A G T < 5S+ 0 0 28 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.527 87.3 106.0 84.2 4.0 -2.1 21.9 18.0 38 51 A S < + 0 0 0 -5,-0.6 2,-0.4 -7,-0.1 -11,-0.2 0.412 61.0 81.2 -89.7 -8.6 0.7 21.2 20.5 39 52 A V - 0 0 0 -5,-0.4 91,-0.2 -6,-0.2 -14,-0.1 -0.893 68.1-135.0-119.3 135.8 -0.2 17.5 21.1 40 53 A T - 0 0 0 89,-2.5 2,-0.2 -2,-0.4 -19,-0.2 -0.244 18.6-170.6 -76.5 170.5 0.6 14.3 19.2 41 54 A H - 0 0 8 -21,-2.4 -24,-2.3 87,-0.2 -21,-0.3 -0.814 4.9-171.2-165.6 119.9 -1.9 11.5 18.5 42 55 A T - 0 0 0 85,-1.3 -26,-0.2 -26,-0.3 2,-0.1 -0.572 34.1-100.5 -96.4 172.0 -1.5 8.1 17.1 43 56 A R - 0 0 150 -2,-0.2 2,-1.8 83,-0.1 84,-0.4 -0.262 58.3 -76.1 -72.4-179.2 -4.2 5.6 16.0 44 57 A A S S+ 0 0 61 80,-0.2 -1,-0.1 82,-0.1 79,-0.1 -0.582 74.4 177.0 -85.5 83.1 -5.1 2.8 18.4 45 58 A D > - 0 0 29 -2,-1.8 79,-3.1 80,-0.4 3,-0.7 -0.078 41.7 -91.4 -89.7-179.5 -2.0 0.7 17.7 46 59 A N T 3 S- 0 0 123 1,-0.7 77,-0.1 77,-0.2 2,-0.1 -0.616 120.6 -14.7-126.9 74.0 -0.5 -2.5 18.9 47 60 A P T 3 S- 0 0 20 0, 0.0 -1,-0.7 0, 0.0 2,-0.2 0.672 87.4-131.2 -98.5 173.8 0.9 -0.9 20.8 48 61 A S < + 0 0 0 -3,-0.7 72,-2.3 77,-0.4 2,-0.3 -0.475 35.3 167.1 -73.5 144.3 1.1 2.9 20.3 49 62 A W E - C 0 119B 4 70,-0.2 -35,-2.5 -2,-0.2 2,-0.3 -0.975 23.0-160.1-156.9 162.2 4.5 4.5 20.6 50 63 A W E -BC 13 118B 0 68,-2.2 68,-2.9 -2,-0.3 2,-0.3 -0.975 13.3-171.6-143.6 146.3 6.5 7.7 19.9 51 64 A E E -BC 12 117B 5 -39,-3.0 -39,-2.4 -2,-0.3 2,-0.4 -0.999 14.9-151.8-146.6 144.8 10.2 8.3 19.5 52 65 A V E -BC 11 116B 0 64,-2.6 64,-2.0 -2,-0.3 2,-0.6 -0.944 12.0-151.2-111.8 141.5 12.7 11.2 19.2 53 66 A D E - C 0 115B 12 -43,-2.7 62,-0.2 -2,-0.4 61,-0.0 -0.946 4.9-164.2-112.6 113.0 16.0 10.8 17.4 54 67 A L E - 0 0 11 60,-3.3 2,-0.2 -2,-0.6 61,-0.1 0.528 33.8-131.5 -72.9 -9.6 18.8 13.0 18.8 55 68 A K E S+ 0 0 127 59,-0.3 2,-0.3 -45,-0.1 -1,-0.1 -0.041 83.9 37.1 81.8 -29.5 20.8 12.3 15.5 56 69 A K E S- 0 0 161 -2,-0.2 57,-0.1 58,-0.2 -2,-0.1 -0.970 99.7 -87.7-138.3 157.3 23.9 11.5 17.6 57 70 A M E + 0 0 91 -2,-0.3 2,-0.3 55,-0.1 57,-0.2 -0.406 50.8 171.6 -59.9 137.5 24.6 9.8 21.0 58 71 A D E - C 0 113B 43 55,-2.0 55,-2.6 53,-0.1 2,-0.8 -0.924 41.0 -99.0-143.3 167.0 24.4 12.2 23.9 59 72 A K E - C 0 112B 117 -2,-0.3 2,-0.4 53,-0.2 53,-0.2 -0.851 42.5-150.2 -96.6 111.2 24.4 11.7 27.7 60 73 A V E + C 0 111B 0 51,-2.8 50,-1.0 -2,-0.8 51,-1.0 -0.709 28.6 157.3 -90.7 128.3 20.8 11.8 28.9 61 74 A G E + 0 0 9 74,-3.0 47,-2.9 -2,-0.4 2,-0.2 0.529 60.2 19.7-106.2-106.0 19.8 13.0 32.4 62 75 A L E - C 0 107B 62 45,-0.2 73,-2.5 46,-0.1 2,-0.4 -0.450 57.2-170.9 -73.7 136.6 16.3 14.3 33.0 63 76 A V E -DC 134 106B 0 43,-2.9 43,-2.7 71,-0.2 2,-0.5 -0.996 6.7-167.0-123.3 128.3 13.4 13.4 30.6 64 77 A K E -DC 133 105B 48 69,-2.6 69,-2.9 -2,-0.4 2,-0.5 -0.957 0.9-165.2-124.3 122.9 10.2 15.3 31.2 65 78 A I E -DC 132 104B 0 39,-2.5 39,-2.0 -2,-0.5 2,-0.5 -0.943 4.1-157.3-116.2 126.3 7.0 14.1 29.6 66 79 A Y E -DC 131 103B 30 65,-3.2 64,-2.3 -2,-0.5 65,-1.2 -0.885 15.6-142.5-109.6 126.8 3.9 16.4 29.4 67 80 A N E -D 129 0B 9 35,-2.7 62,-0.2 -2,-0.5 2,-0.1 -0.381 26.6 -90.8 -83.0 159.9 0.5 14.8 29.0 68 81 A R - 0 0 31 60,-0.8 -35,-0.2 4,-0.1 -1,-0.1 -0.434 42.7-175.0 -51.2 143.8 -2.5 15.7 27.1 69 82 A T + 0 0 51 -37,-2.4 -36,-0.2 -2,-0.1 4,-0.1 0.577 64.2 66.2-127.1 -20.5 -4.7 17.8 29.6 70 83 A D S S- 0 0 63 -38,-1.1 2,-0.3 1,-0.2 -37,-0.1 0.809 114.4 -17.1 -79.2 -31.6 -8.0 18.6 27.9 71 84 A A S S+ 0 0 36 1,-0.1 -1,-0.2 2,-0.0 -37,-0.1 -0.978 116.2 31.5-160.8 164.3 -9.4 15.0 27.7 72 85 A E > + 0 0 83 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 0.797 59.3 158.0 56.0 35.3 -8.4 11.3 27.9 73 86 A T G > + 0 0 67 1,-0.3 3,-1.2 2,-0.2 26,-0.1 0.781 62.4 69.0 -66.3 -21.6 -5.6 12.0 30.4 74 87 A Q G 3 S+ 0 0 110 1,-0.3 -1,-0.3 24,-0.1 -2,-0.1 0.649 77.8 80.7 -70.9 -14.9 -5.7 8.4 31.6 75 88 A R G < S+ 0 0 61 -3,-1.8 2,-1.9 1,-0.2 -1,-0.3 0.847 78.5 72.2 -63.4 -31.1 -4.3 7.1 28.2 76 89 A L S < S+ 0 0 4 -3,-1.2 23,-0.4 -4,-0.3 2,-0.3 -0.570 81.2 100.9 -86.1 78.2 -0.8 8.1 29.3 77 90 A S + 0 0 39 -2,-1.9 44,-0.3 1,-0.2 45,-0.3 -0.941 63.2 31.2-150.1 161.0 -0.5 5.3 31.8 78 91 A N S S+ 0 0 57 19,-2.0 43,-2.5 -2,-0.3 44,-0.5 0.930 88.2 140.4 51.3 60.0 1.2 1.8 32.0 79 92 A F E -EF 96 120B 0 17,-2.6 17,-3.1 41,-0.2 2,-0.3 -0.927 47.3-133.0-136.8 155.7 4.0 2.9 29.7 80 93 A D E -EF 95 119B 12 39,-2.7 39,-2.6 -2,-0.3 2,-0.5 -0.845 4.3-155.4-103.8 146.6 7.7 2.5 29.2 81 94 A V E -EF 94 118B 0 13,-2.6 13,-2.6 -2,-0.3 2,-0.4 -0.997 26.5-171.9-119.7 117.6 10.3 5.2 28.4 82 95 A I E -EF 93 117B 0 35,-3.0 35,-2.7 -2,-0.5 2,-0.4 -0.947 18.1-151.1-124.8 134.3 13.3 3.5 26.7 83 96 A L E -EF 92 116B 0 9,-2.8 8,-3.1 -2,-0.4 9,-1.2 -0.873 16.2-171.6-104.0 134.8 16.7 4.7 25.7 84 97 A Y E -EF 90 115B 31 31,-2.4 30,-2.8 -2,-0.4 31,-2.0 -0.943 13.8-135.1-125.7 146.3 18.4 3.2 22.7 85 98 A D > - 0 0 31 4,-2.1 3,-2.1 -2,-0.3 28,-0.1 -0.101 48.0 -74.1 -86.9-168.6 22.0 3.6 21.4 86 99 A N T 3 S+ 0 0 30 1,-0.3 -1,-0.1 2,-0.1 27,-0.0 0.637 135.1 44.3 -66.5 -16.0 23.2 4.2 17.8 87 100 A N T 3 S- 0 0 47 2,-0.1 -1,-0.3 95,-0.0 3,-0.1 0.203 120.3-106.3-110.1 15.6 22.5 0.6 16.9 88 101 A R < + 0 0 48 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.768 66.8 153.0 57.4 33.2 19.1 0.5 18.6 89 102 A N - 0 0 94 1,-0.0 -4,-2.1 2,-0.0 2,-0.4 -0.753 53.6-110.1 -80.6 139.2 20.4 -1.6 21.5 90 103 A E E +E 84 0B 104 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.556 41.8 172.0 -71.2 121.9 18.3 -1.0 24.6 91 104 A V E - 0 0 42 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.660 62.3 -5.6-106.0 -23.6 20.4 0.9 27.1 92 105 A A E -E 83 0B 20 -9,-1.2 -9,-2.8 19,-0.1 -1,-0.4 -0.948 57.2-169.8-166.1 152.9 17.9 1.8 29.8 93 106 A K E -E 82 0B 110 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.991 2.0-169.8-147.9 138.3 14.2 1.6 30.5 94 107 A K E -E 81 0B 82 -13,-2.6 -13,-2.6 -2,-0.3 2,-0.4 -0.996 15.2-141.6-124.5 146.4 11.8 3.0 33.1 95 108 A H E -E 80 0B 82 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.869 10.4-164.8-103.7 137.0 8.2 2.1 33.6 96 109 A V E -E 79 0B 11 -17,-3.1 -17,-2.6 -2,-0.4 3,-0.1 -0.976 7.4-171.2-119.2 124.6 5.6 4.6 34.5 97 110 A N - 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