==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHOLINE-BINDING PROTEIN 10-MAR-10 2X8P . COMPND 2 MOLECULE: CHOLINE-BINDING PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR N.SILVA-MARTIN,J.A.HERMOSO . 311 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 29 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 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+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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 3 1 4 5 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 ANTIPARALLEL BRIDGES PER LADDER . 4 9 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 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 1 A N 0 0 124 0, 0.0 2,-0.4 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 50.6 -7.6 55.5 47.8 2 2 A T + 0 0 8 26,-1.4 28,-0.3 25,-0.0 2,-0.2 -0.983 360.0 157.4-129.0 116.0 -11.2 54.8 47.0 3 3 A T + 0 0 104 -2,-0.4 3,-0.1 1,-0.1 25,-0.0 -0.779 37.3 63.8-132.3 176.9 -13.5 54.3 50.0 4 4 A G S S+ 0 0 58 1,-0.3 15,-0.7 -2,-0.2 2,-0.2 0.566 89.1 84.5 85.6 8.6 -17.2 54.5 50.9 5 5 A G E -A 18 0A 27 13,-0.2 -1,-0.3 -3,-0.1 2,-0.3 -0.506 59.1-143.5-125.9-164.9 -18.3 51.7 48.7 6 6 A R E -A 17 0A 164 11,-1.7 11,-2.8 -2,-0.2 2,-0.1 -0.958 26.7-100.5-164.1 146.4 -18.6 47.9 48.5 7 7 A F E -A 16 0A 62 -2,-0.3 2,-0.4 9,-0.2 9,-0.3 -0.412 38.8-161.0 -69.3 147.2 -18.3 45.1 46.0 8 8 A V E -A 15 0A 32 7,-3.1 7,-2.6 -2,-0.1 2,-0.6 -0.993 13.9-147.2-138.2 130.2 -21.6 43.8 44.6 9 9 A D E +A 14 0A 112 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.850 37.3 147.0 -96.3 120.0 -22.4 40.5 42.9 10 10 A K E > -A 13 0A 127 3,-2.3 3,-1.1 -2,-0.6 -2,-0.1 -0.951 59.9 -2.1-158.1 135.4 -25.2 40.9 40.3 11 11 A D T 3 S- 0 0 126 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.837 125.1 -58.7 54.3 38.8 -26.1 39.4 36.9 12 12 A N T 3 S+ 0 0 99 1,-0.3 2,-0.3 95,-0.0 -1,-0.3 0.755 121.1 95.0 65.7 26.3 -23.0 37.1 37.0 13 13 A R E < -A 10 0A 55 -3,-1.1 -3,-2.3 93,-0.1 2,-0.4 -0.891 67.9-128.6-137.9 166.4 -20.7 40.1 37.2 14 14 A K E +A 9 0A 33 -2,-0.3 28,-2.7 91,-0.3 2,-0.3 -0.981 26.7 174.4-124.8 134.0 -19.0 42.0 40.0 15 15 A Y E -A 8 0A 20 -7,-2.6 -7,-3.1 -2,-0.4 2,-0.5 -0.796 29.7-129.6-128.9 170.7 -19.0 45.7 40.6 16 16 A Y E -A 7 0A 8 24,-0.3 7,-2.3 -9,-0.3 2,-0.4 -0.986 30.9-167.8-122.2 115.7 -17.9 48.2 43.2 17 17 A V E +AB 6 22A 35 -11,-2.8 -11,-1.7 -2,-0.5 2,-0.4 -0.910 12.6 173.1-114.8 134.0 -20.7 50.5 44.3 18 18 A K E > S-AB 5 21A 59 3,-1.9 3,-3.4 -2,-0.4 -13,-0.2 -0.995 74.6 -9.6-134.9 138.2 -20.4 53.7 46.3 19 19 A D T 3 S- 0 0 123 -15,-0.7 -1,-0.1 -2,-0.4 3,-0.1 0.855 131.6 -55.6 38.3 42.9 -23.2 56.2 47.0 20 20 A D T 3 S+ 0 0 147 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.584 114.0 115.0 70.2 16.5 -25.2 54.2 44.4 21 21 A H E < -B 18 0A 66 -3,-3.4 -3,-1.9 42,-0.0 2,-0.4 -0.835 62.3-120.9-117.5 155.3 -22.7 54.6 41.6 22 22 A K E -B 17 0A 77 -2,-0.3 40,-2.6 -5,-0.2 41,-0.2 -0.772 24.1-126.2 -96.4 134.5 -20.5 52.0 39.7 23 23 A A E -C 61 0B 0 -7,-2.3 2,-0.3 -2,-0.4 38,-0.2 -0.416 27.5-167.1 -74.0 151.4 -16.7 52.2 39.7 24 24 A I E -C 60 0B 4 36,-2.4 36,-0.7 2,-0.2 14,-0.2 -0.991 45.6 -11.9-141.2 148.0 -15.0 52.2 36.3 25 25 A Y S S+ 0 0 31 12,-1.8 11,-2.1 -2,-0.3 2,-0.2 -0.299 111.3 6.3 63.4-144.6 -11.4 51.7 35.2 26 26 A W E +De 35 58C 4 31,-1.9 33,-2.5 9,-0.2 34,-0.5 -0.493 62.3 165.0 -80.9 139.4 -8.7 51.8 37.8 27 27 A H E -D 34 0C 2 7,-2.3 7,-2.8 -2,-0.2 2,-0.6 -0.986 29.3-144.3-150.7 136.2 -9.2 52.0 41.6 28 28 A K E +D 33 0C 107 -2,-0.3 -26,-1.4 5,-0.2 2,-0.4 -0.906 30.5 179.0 -99.6 119.0 -6.9 51.5 44.6 29 29 A I E > -D 32 0C 13 3,-2.0 3,-2.1 -2,-0.6 -26,-0.1 -0.968 55.5 -32.8-132.3 120.5 -9.1 49.9 47.3 30 30 A D T 3 S- 0 0 154 -2,-0.4 -1,-0.1 -28,-0.3 3,-0.1 0.885 125.8 -36.9 40.3 63.0 -8.0 48.8 50.8 31 31 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.286 126.0 77.1 81.5 -12.9 -4.5 47.7 49.9 32 32 A K E < -D 29 0C 95 -3,-2.1 -3,-2.0 53,-0.0 2,-0.4 -0.638 69.6-124.8-121.5-178.5 -5.2 46.2 46.5 33 33 A T E +D 28 0C 11 -5,-0.2 51,-2.3 51,-0.2 2,-0.3 -0.996 24.7 177.8-133.9 134.9 -5.9 47.5 42.9 34 34 A Y E -D 27 0C 19 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.4 -0.886 17.5-150.0-132.2 163.5 -8.8 46.7 40.6 35 35 A Y E -D 26 0C 19 47,-0.3 8,-2.1 -2,-0.3 -9,-0.2 -0.999 6.9-174.5-135.6 129.2 -10.0 47.7 37.1 36 36 A F > - 0 0 0 -11,-2.1 4,-1.3 -2,-0.4 5,-0.2 0.106 32.5-133.3-114.2 22.0 -13.7 47.8 36.3 37 37 A G T 4 - 0 0 15 3,-0.2 -12,-1.8 1,-0.2 -1,-0.3 -0.139 50.0 -49.4 63.4-158.0 -13.7 48.6 32.5 38 38 A D T 4 S+ 0 0 104 -14,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.806 139.2 31.0 -85.3 -31.6 -15.9 51.2 30.9 39 39 A I T 4 S- 0 0 98 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.264 119.9 -93.0-111.7 11.4 -19.2 50.1 32.4 40 40 A G S < S+ 0 0 0 -4,-1.3 2,-0.4 1,-0.3 -24,-0.3 0.302 70.8 143.2 103.7 -12.2 -18.0 48.8 35.8 41 41 A E - 0 0 47 -5,-0.2 -1,-0.3 -26,-0.1 -26,-0.2 -0.505 52.5-121.5 -69.9 120.8 -17.5 45.0 35.4 42 42 A M - 0 0 1 -28,-2.7 63,-3.1 -2,-0.4 -28,-0.2 -0.395 27.9-138.3 -63.1 132.2 -14.5 43.9 37.4 43 43 A V B -F 104 0D 7 -8,-2.1 2,-0.3 61,-0.3 61,-0.3 -0.524 18.9-172.7 -92.3 160.2 -11.8 42.2 35.3 44 44 A V + 0 0 3 59,-1.8 59,-0.4 -2,-0.2 58,-0.2 -0.931 48.1 8.1-143.6 161.6 -9.8 39.1 36.0 45 45 A G E S+G 78 0E 1 33,-1.5 33,-1.0 34,-0.3 2,-0.2 -0.168 109.4 5.4 65.0-158.0 -6.8 37.4 34.4 46 46 A W E +Gh 77 101E 0 54,-0.9 56,-2.8 31,-0.2 57,-0.4 -0.424 68.3 176.1 -66.7 126.9 -4.8 38.8 31.4 47 47 A Q E -G 76 0E 10 29,-2.5 29,-2.4 -2,-0.2 2,-0.7 -0.990 28.0-151.1-136.9 140.4 -5.7 42.3 30.4 48 48 A Y E +G 75 0E 54 -2,-0.4 2,-0.3 27,-0.2 27,-0.2 -0.904 44.3 155.3-109.3 100.3 -4.3 44.8 27.8 49 49 A L E -G 74 0E 13 25,-2.3 25,-2.7 -2,-0.7 2,-0.2 -0.825 49.5 -87.8-130.8 166.5 -5.1 48.2 29.3 50 50 A E E -G 73 0E 36 -2,-0.3 23,-0.2 23,-0.3 22,-0.1 -0.498 60.2 -96.8 -71.0 135.1 -4.2 51.9 29.4 51 51 A I - 0 0 49 21,-2.0 3,-0.4 -2,-0.2 -1,-0.1 -0.244 41.9-134.8 -55.6 134.8 -1.5 52.5 32.1 52 52 A P S S+ 0 0 46 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.323 70.4 67.1 -86.1 172.5 -2.9 53.7 35.4 53 53 A G S S+ 0 0 68 -2,-0.1 5,-0.1 4,-0.1 -2,-0.0 0.174 70.8 91.9 106.2 -17.5 -1.7 56.5 37.7 54 54 A T S S- 0 0 65 -3,-0.4 -3,-0.0 1,-0.1 4,-0.0 0.740 89.1-123.8 -82.5 -24.2 -2.4 59.6 35.6 55 55 A G S > S+ 0 0 38 5,-0.0 3,-0.9 -29,-0.0 -1,-0.1 0.066 92.4 95.1 104.5 -23.4 -5.9 60.2 37.1 56 56 A Y T 3 S+ 0 0 114 1,-0.3 11,-0.2 10,-0.1 3,-0.0 0.641 101.4 24.4 -75.4 -15.5 -7.6 60.2 33.7 57 57 A R T 3 S+ 0 0 23 -6,-0.1 -31,-1.9 9,-0.1 2,-0.3 -0.171 113.6 91.2-137.9 36.7 -8.5 56.5 34.0 58 58 A D B < S+e 26 0C 17 -3,-0.9 -31,-0.2 -33,-0.2 -33,-0.1 -0.989 84.9 3.7-140.4 145.6 -8.3 56.4 37.8 59 59 A N S S+ 0 0 57 -33,-2.5 2,-0.3 -2,-0.3 -32,-0.1 0.822 89.1 147.3 52.8 37.1 -10.8 56.8 40.7 60 60 A L E -C 24 0B 25 -36,-0.7 -36,-2.4 -34,-0.5 2,-0.3 -0.757 34.6-160.9-107.4 151.6 -13.7 57.3 38.3 61 61 A F E > -C 23 0B 23 -2,-0.3 3,-2.2 -38,-0.2 -38,-0.2 -0.916 36.6-107.2-124.1 152.5 -17.4 56.4 38.6 62 62 A D T 3 S+ 0 0 79 -40,-2.6 -39,-0.1 -2,-0.3 4,-0.1 0.553 116.0 63.8 -57.6 -7.6 -19.9 56.0 35.7 63 63 A N T 3 S+ 0 0 88 -41,-0.2 -1,-0.3 2,-0.1 -42,-0.0 0.251 93.3 80.2 -99.6 13.3 -21.6 59.2 36.8 64 64 A Q S < S- 0 0 85 -3,-2.2 2,-0.1 1,-0.0 -4,-0.0 -0.875 89.7 -95.4-120.3 152.8 -18.4 61.3 36.0 65 65 A P - 0 0 105 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.361 29.0-148.1 -64.8 139.8 -17.0 62.6 32.7 66 66 A V - 0 0 63 -4,-0.1 3,-0.1 -2,-0.1 -9,-0.1 -0.940 21.8-142.2-113.8 107.7 -14.3 60.5 31.1 67 67 A N - 0 0 87 -2,-0.6 2,-0.3 -11,-0.2 0, 0.0 -0.155 18.9-100.5 -70.8 159.7 -11.8 62.7 29.2 68 68 A E + 0 0 194 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.593 56.1 159.2 -74.1 137.0 -10.1 62.2 25.9 69 69 A I - 0 0 51 -2,-0.3 2,-0.8 -3,-0.1 -3,-0.0 -0.946 39.3-136.5-163.4 139.3 -6.6 61.0 26.7 70 70 A G + 0 0 65 -2,-0.3 2,-0.4 -20,-0.0 -2,-0.0 -0.853 36.2 164.0-106.3 99.7 -3.9 59.2 24.8 71 71 A L - 0 0 27 -2,-0.8 -2,-0.1 100,-0.0 -21,-0.0 -0.942 37.6-114.5-118.5 137.9 -2.4 56.5 27.0 72 72 A Q - 0 0 52 -2,-0.4 -21,-2.0 -22,-0.1 2,-0.4 -0.277 29.5-129.4 -65.4 151.9 -0.3 53.6 26.0 73 73 A E E +G 50 0E 88 -23,-0.2 2,-0.3 98,-0.1 -23,-0.3 -0.809 30.9 171.0-104.7 146.1 -1.7 50.2 26.5 74 74 A K E -G 49 0E 43 -25,-2.7 -25,-2.3 -2,-0.4 2,-0.4 -0.916 34.9 -91.9-145.0 169.9 0.2 47.4 28.3 75 75 A W E +G 48 0E 7 51,-0.3 51,-3.1 -2,-0.3 2,-0.3 -0.720 41.2 171.9 -91.4 137.7 -0.3 43.9 29.7 76 76 A Y E -G 47 0E 4 -29,-2.4 -29,-2.5 -2,-0.4 2,-0.4 -0.944 22.8-136.6-138.7 157.3 -1.3 43.3 33.3 77 77 A Y E -G 46 0E 34 47,-0.4 8,-3.6 8,-0.4 2,-0.3 -0.972 16.3-170.2-121.2 133.7 -2.4 40.3 35.3 78 78 A F E -GI 45 84E 0 -33,-1.0 -33,-1.5 -2,-0.4 6,-0.3 -0.919 23.7-117.5-119.6 145.9 -5.3 40.2 37.8 79 79 A G > - 0 0 21 4,-4.0 3,-1.8 -2,-0.3 -34,-0.3 -0.172 36.2 -99.8 -72.4 174.7 -6.1 37.4 40.3 80 80 A Q T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -36,-0.2 -36,-0.0 0.615 126.2 58.9 -72.9 -8.5 -9.4 35.6 40.1 81 81 A D T 3 S- 0 0 84 2,-0.2 -1,-0.3 24,-0.1 3,-0.1 0.305 124.5-105.0 -97.7 4.4 -10.6 37.8 42.9 82 82 A G S < S+ 0 0 0 -3,-1.8 2,-0.3 1,-0.3 -47,-0.3 0.380 75.0 139.9 90.1 -5.2 -9.9 40.9 40.8 83 83 A A - 0 0 15 -49,-0.1 -4,-4.0 -5,-0.1 -1,-0.3 -0.576 54.4-121.3 -78.0 131.0 -6.7 41.9 42.5 84 84 A L B -I 78 0E 13 -51,-2.3 2,-0.9 -2,-0.3 -6,-0.3 -0.481 22.5-120.9 -69.6 136.3 -3.9 43.2 40.3 85 85 A L - 0 0 38 -8,-3.6 2,-1.2 -2,-0.2 -8,-0.4 -0.715 23.2-159.3 -79.2 109.9 -0.7 41.1 40.6 86 86 A E + 0 0 77 -2,-0.9 2,-0.2 -10,-0.1 -1,-0.1 -0.324 31.6 154.6 -90.6 55.4 1.7 43.8 41.6 87 87 A Q + 0 0 37 -2,-1.2 37,-0.2 37,-0.3 34,-0.1 -0.574 22.6 177.8 -81.0 142.1 4.8 41.9 40.5 88 88 A T S S+ 0 0 63 -2,-0.2 -1,-0.1 2,-0.1 37,-0.1 0.338 76.5 32.4-125.1 1.1 7.9 44.0 39.7 89 89 A D S S- 0 0 89 1,-0.2 31,-2.2 29,-0.1 2,-0.3 0.598 111.8 -53.7-119.3 -83.9 10.3 41.2 38.9 90 90 A K E -J 119 0F 80 29,-0.3 2,-0.3 36,-0.0 29,-0.2 -0.988 41.1-176.2-162.7 160.3 8.9 38.0 37.4 91 91 A Q E -J 118 0F 69 27,-2.1 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