==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHOLINE-BINDING PROTEIN 19-MAY-09 3HIA . COMPND 2 MOLECULE: CHOLINE BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Z.-Y.ZHANG,W.-Z.LI,Y.-L.JIANG,R.BAO,C.-Z.ZHOU,Y.-X.CHEN . 223 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 55.2 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 . 83 37.2 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 . 10 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 4.5 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-2), 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 . 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 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 . 1 0.4 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 . 11 1 1 0 9 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 ANTIPARALLEL BRIDGES PER LADDER . 0 7 1 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 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 49 A P 0 0 149 0, 0.0 2,-0.2 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 142.7 -28.5 7.2 4.5 2 50 A T - 0 0 85 17,-0.1 2,-0.2 1,-0.0 4,-0.1 -0.441 360.0-176.9 -82.0 147.0 -28.1 7.9 0.8 3 51 A T + 0 0 36 -2,-0.2 69,-0.4 69,-0.1 13,-0.2 -0.659 43.0 48.1-125.9 177.9 -28.0 5.3 -2.0 4 52 A G E S-A 15 0A 1 11,-2.4 11,-2.4 -2,-0.2 2,-0.2 -0.363 104.5 -7.3 83.8-167.6 -27.6 5.5 -5.8 5 53 A W E S-A 14 0A 21 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.464 70.9-179.4 -62.4 127.9 -24.9 7.5 -7.6 6 54 A K E -A 13 0A 53 7,-2.9 7,-2.8 -2,-0.2 2,-0.6 -0.998 23.1-144.1-137.0 131.9 -22.9 9.7 -5.2 7 55 A Q E +A 12 0A 121 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.857 26.2 174.5 -94.3 121.0 -20.0 12.1 -5.8 8 56 A E E > -A 11 0A 56 3,-3.2 3,-0.9 -2,-0.6 -2,-0.0 -0.960 65.5 -15.6-136.2 116.5 -17.5 12.0 -3.0 9 57 A N T 3 S- 0 0 163 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.898 130.0 -49.7 57.9 43.8 -14.2 13.9 -3.0 10 58 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.500 119.9 104.3 76.2 8.2 -14.4 14.4 -6.8 11 59 A M E < -A 8 0A 91 -3,-0.9 -3,-3.2 29,-0.0 2,-0.4 -0.911 67.5-122.7-123.9 151.2 -15.2 10.8 -7.5 12 60 A W E +A 7 0A 67 -2,-0.3 29,-2.0 29,-0.3 2,-0.3 -0.776 30.8 174.0 -95.8 129.9 -18.3 8.9 -8.5 13 61 A Y E -A 6 0A 32 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.5 -0.897 22.1-138.8-125.4 156.0 -19.5 5.9 -6.4 14 62 A F E -A 5 0A 0 25,-0.4 8,-2.5 8,-0.4 2,-0.5 -0.981 14.7-157.5-118.4 127.0 -22.7 3.8 -6.6 15 63 A Y E -AB 4 21A 47 -11,-2.4 -11,-2.4 -2,-0.5 6,-0.3 -0.858 9.2-138.8-104.9 133.9 -24.5 2.8 -3.5 16 64 A N > - 0 0 14 4,-4.5 3,-1.8 -2,-0.5 82,-0.0 -0.343 32.9-103.1 -75.3 163.5 -26.8 -0.2 -3.3 17 65 A T T 3 S+ 0 0 78 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.887 122.1 59.7 -60.7 -37.5 -30.1 -0.1 -1.4 18 66 A D T 3 S- 0 0 80 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.282 125.0-103.4 -72.0 13.2 -28.6 -2.0 1.5 19 67 A G S < S+ 0 0 40 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.423 81.8 129.2 79.4 -0.9 -26.0 0.8 1.8 20 68 A S - 0 0 4 -5,-0.1 -4,-4.5 1,-0.1 2,-0.4 -0.516 59.8-113.7 -85.1 155.9 -23.2 -1.1 0.1 21 69 A M B -B 15 0A 36 179,-0.6 -6,-0.2 -6,-0.3 2,-0.2 -0.719 24.6-127.6 -85.8 134.6 -21.0 0.1 -2.7 22 70 A A - 0 0 0 -8,-2.5 -8,-0.4 -2,-0.4 2,-0.3 -0.512 27.4-163.4 -71.2 151.7 -21.2 -1.5 -6.1 23 71 A T + 0 0 10 -2,-0.2 75,-0.3 2,-0.1 76,-0.2 -0.896 41.7 15.1-135.7 156.3 -17.9 -2.6 -7.7 24 72 A G E S+C 35 0B 10 11,-2.3 11,-2.0 12,-0.3 74,-0.1 -0.298 102.1 5.3 82.0-159.1 -16.8 -3.6 -11.2 25 73 A W E -C 34 0B 41 9,-0.2 74,-0.5 148,-0.1 2,-0.4 -0.309 59.8-168.0 -63.1 142.4 -18.5 -3.1 -14.6 26 74 A V E -C 33 0B 1 7,-2.6 7,-2.0 71,-0.1 2,-0.4 -1.000 4.0-169.5-128.7 131.7 -21.8 -1.1 -14.7 27 75 A Q E +CD 32 96B 35 69,-2.2 69,-2.6 -2,-0.4 2,-0.3 -0.977 20.3 146.2-119.9 122.4 -24.2 -0.8 -17.7 28 76 A V E > +C 31 0B 3 3,-1.6 3,-2.2 -2,-0.4 67,-0.1 -0.984 70.0 3.2-142.6 149.5 -27.0 1.7 -17.8 29 77 A N T 3 S- 0 0 77 -2,-0.3 3,-0.1 65,-0.3 66,-0.1 0.687 128.1 -62.8 54.4 20.4 -28.6 3.6 -20.8 30 78 A G T 3 S+ 0 0 54 64,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.225 111.6 114.0 91.2 -15.5 -26.2 1.7 -23.1 31 79 A S E < -C 28 0B 35 -3,-2.2 -3,-1.6 30,-0.0 2,-0.3 -0.632 55.8-139.9 -89.0 148.6 -23.0 3.1 -21.5 32 80 A W E +C 27 0B 63 30,-0.3 30,-2.2 -2,-0.2 2,-0.3 -0.816 19.2 178.7-103.5 149.1 -20.4 1.1 -19.6 33 81 A Y E -C 26 0B 32 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.5 -0.980 17.3-142.8-142.3 151.2 -18.5 2.3 -16.5 34 82 A Y E -C 25 0B 26 26,-0.4 8,-2.8 8,-0.4 2,-0.5 -0.970 8.8-159.0-122.6 124.9 -15.9 0.5 -14.3 35 83 A L E -CE 24 41B 0 -11,-2.0 -11,-2.3 -2,-0.5 6,-0.2 -0.908 20.2-126.1-104.5 126.8 -15.7 0.9 -10.6 36 84 A N > - 0 0 37 4,-3.2 3,-2.4 -2,-0.5 -12,-0.3 0.014 36.5 -92.1 -54.1 169.5 -12.5 0.1 -8.8 37 85 A S T 3 S+ 0 0 66 1,-0.3 163,-3.2 2,-0.1 164,-0.2 0.813 131.7 54.0 -58.5 -31.5 -12.3 -2.4 -5.9 38 86 A N T 3 S- 0 0 93 161,-0.2 -1,-0.3 162,-0.2 -2,-0.1 0.227 123.8-108.1 -87.5 12.3 -12.8 0.6 -3.6 39 87 A G S < S+ 0 0 0 -3,-2.4 -25,-0.4 1,-0.2 2,-0.2 0.334 72.9 139.1 83.5 -6.9 -16.0 1.5 -5.6 40 88 A S - 0 0 9 -27,-0.1 -4,-3.2 -5,-0.1 2,-0.5 -0.456 56.2-114.6 -75.5 139.6 -14.5 4.6 -7.3 41 89 A M B -E 35 0B 18 -29,-2.0 -29,-0.3 -6,-0.2 2,-0.2 -0.637 24.8-127.0 -78.4 124.9 -15.3 5.2 -11.0 42 90 A K + 0 0 34 -8,-2.8 -8,-0.4 -2,-0.5 2,-0.3 -0.518 35.6 179.6 -64.1 129.5 -12.4 5.0 -13.3 43 91 A V + 0 0 62 -2,-0.2 15,-0.2 1,-0.1 14,-0.1 -0.971 50.6 3.1-135.3 147.9 -12.2 8.1 -15.5 44 92 A N S S+ 0 0 96 13,-1.8 2,-0.3 -2,-0.3 13,-0.2 0.804 98.5 101.4 51.2 51.2 -9.8 9.3 -18.3 45 93 A Q E -H 56 0C 67 11,-1.3 11,-2.1 12,-0.2 2,-0.5 -0.995 69.0-119.5-156.3 159.5 -7.6 6.3 -18.6 46 94 A W E +H 55 0C 170 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.889 42.7 175.4 -92.9 131.6 -6.5 3.2 -20.4 47 95 A F E -H 54 0C 11 7,-2.2 7,-3.1 -2,-0.5 2,-0.4 -0.983 25.8-128.1-138.9 152.4 -6.8 0.2 -18.1 48 96 A Q E +H 53 0C 100 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.849 26.3 169.8-104.1 135.5 -6.3 -3.5 -18.4 49 97 A V E > S-H 52 0C 7 3,-2.3 3,-1.3 -2,-0.4 139,-0.2 -0.980 73.1 -4.8-142.7 127.2 -9.0 -6.1 -17.4 50 98 A G T 3 S- 0 0 11 137,-4.2 138,-0.2 -2,-0.4 121,-0.2 0.842 130.2 -54.0 55.0 39.3 -8.7 -9.8 -18.3 51 99 A G T 3 S+ 0 0 55 136,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.535 118.4 103.2 78.5 8.2 -5.6 -9.3 -20.4 52 100 A K E < -H 49 0C 138 -3,-1.3 -3,-2.3 -5,-0.0 2,-0.4 -0.905 66.9-125.8-121.0 148.7 -7.2 -6.6 -22.6 53 101 A W E -H 48 0C 156 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.769 27.5-177.9 -94.8 139.9 -6.9 -2.8 -22.6 54 102 A Y E -H 47 0C 70 -7,-3.1 -7,-2.2 -2,-0.4 2,-0.4 -0.880 14.3-143.8-130.1 160.3 -9.8 -0.5 -22.3 55 103 A Y E -H 46 0C 64 8,-0.3 8,-3.2 -2,-0.3 2,-0.4 -0.997 8.8-171.2-129.6 134.6 -10.4 3.2 -22.4 56 104 A V E -HI 45 62C 0 -11,-2.1 -11,-1.3 -2,-0.4 6,-0.2 -0.970 20.6-134.1-118.9 133.3 -12.8 5.4 -20.4 57 105 A N > - 0 0 47 4,-2.3 3,-2.2 -2,-0.4 -13,-1.8 -0.050 41.9 -80.0 -73.8-176.2 -13.3 9.1 -21.2 58 106 A T T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -15,-0.2 -15,-0.0 0.620 130.7 56.8 -63.8 -14.8 -13.5 12.0 -18.8 59 107 A S T 3 S- 0 0 72 2,-0.2 -1,-0.3 -16,-0.0 3,-0.1 0.416 119.5-108.9 -92.0 -3.0 -17.1 11.1 -17.9 60 108 A G S < S+ 0 0 0 -3,-2.2 -26,-0.4 1,-0.3 2,-0.4 0.451 73.1 142.0 86.1 2.8 -16.1 7.5 -16.9 61 109 A E - 0 0 71 -28,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.663 54.3-117.0 -91.3 133.4 -17.7 6.1 -20.0 62 110 A L B -I 56 0C 28 -30,-2.2 -30,-0.3 -2,-0.4 2,-0.3 -0.425 27.3-126.0 -66.8 127.4 -16.1 3.1 -21.9 63 111 A A - 0 0 46 -8,-3.2 2,-0.3 -2,-0.2 -8,-0.3 -0.585 31.6-179.1 -75.6 131.6 -15.1 3.9 -25.5 64 112 A V - 0 0 94 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.978 57.9 -0.1-131.8 143.7 -16.5 1.5 -28.1 65 113 A N 0 0 170 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.896 360.0 360.0 47.7 60.7 -16.0 1.5 -31.9 66 114 A T 0 0 163 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 -0.928 360.0 360.0-148.4 360.0 -13.7 4.5 -32.2 67 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 47 B V 0 0 168 0, 0.0 19,-0.2 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 -34.4 -27.4 17.1 -10.3 69 48 B A - 0 0 24 17,-2.4 19,-0.1 1,-0.1 18,-0.0 -0.352 360.0-126.4 -57.8 137.5 -30.8 15.3 -9.7 70 49 B P S S+ 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.562 92.6 27.8 -71.4 -12.7 -31.6 15.2 -5.9 71 50 B T S S+ 0 0 68 14,-0.2 2,-0.3 -69,-0.0 17,-0.1 -0.973 73.3 174.5-147.6 137.9 -32.0 11.4 -5.9 72 51 B T + 0 0 8 -69,-0.4 13,-0.2 -2,-0.3 2,-0.2 -0.872 39.2 23.4-140.0 167.5 -30.5 8.8 -8.2 73 52 B G E S+J 84 0D 0 11,-3.2 11,-3.1 -2,-0.3 2,-0.3 -0.474 104.2 13.8 76.9-143.1 -30.2 5.0 -8.8 74 53 B W E +J 83 0D 29 9,-0.2 2,-0.4 -2,-0.2 9,-0.2 -0.516 64.3 166.0 -76.6 128.0 -32.8 2.5 -7.4 75 54 B K E -J 82 0D 77 7,-2.7 7,-3.1 -2,-0.3 2,-0.5 -0.997 23.8-143.7-138.8 134.7 -36.1 4.0 -6.2 76 55 B Q E +J 81 0D 97 -2,-0.4 2,-0.4 5,-0.2 5,-0.3 -0.881 21.6 170.8-102.8 130.2 -39.3 2.0 -5.5 77 56 B E E > -J 80 0D 78 3,-3.3 3,-1.8 -2,-0.5 -2,-0.0 -0.999 68.8 -5.3-135.4 136.9 -42.7 3.4 -6.2 78 57 B N T 3 S- 0 0 156 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.855 130.8 -54.2 52.5 41.3 -46.0 1.6 -6.0 79 58 B G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.655 119.7 106.2 69.0 16.0 -44.3 -1.7 -5.3 80 59 B M E < -J 77 0D 80 -3,-1.8 -3,-3.3 29,-0.0 2,-0.3 -0.976 64.9-127.3-129.1 145.8 -42.1 -1.3 -8.4 81 60 B W E -J 76 0D 71 -2,-0.4 29,-1.7 -5,-0.3 2,-0.3 -0.705 23.3-176.7 -95.1 140.2 -38.4 -0.4 -8.8 82 61 B Y E -JK 75 109D 33 -7,-3.1 -7,-2.7 -2,-0.3 2,-0.5 -0.900 20.4-135.3-128.2 154.9 -37.0 2.4 -11.1 83 62 B F E -J 74 0D 2 25,-0.5 8,-2.6 8,-0.4 2,-0.5 -0.971 20.6-153.0-115.9 122.3 -33.5 3.5 -11.9 84 63 B Y E -JL 73 90D 46 -11,-3.1 -11,-3.2 -2,-0.5 6,-0.2 -0.827 3.0-146.0-103.1 127.9 -32.8 7.2 -11.8 85 64 B N > - 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