==== 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 LIPID-BINDING-PROTEIN 08-MAY-07 2V05 . COMPND 2 MOLECULE: CHOLINE BINDING PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR J.HERMOSO,R.MOLINA,R.KAHN,M.STELTER . 298 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 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 . 94 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 3.4 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 . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.4 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 . 10 2 1 3 7 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 0 136 0, 0.0 2,-0.6 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 20.0 32.1 60.7 48.9 2 2 A T + 0 0 2 26,-2.7 28,-0.5 2,-0.0 2,-0.3 -0.881 360.0 151.7 -95.4 122.8 35.5 62.2 48.1 3 3 A T + 0 0 100 -2,-0.6 3,-0.1 26,-0.1 26,-0.0 -0.880 37.4 56.8-138.7 173.3 37.5 63.1 51.3 4 4 A G S S+ 0 0 65 1,-0.3 15,-0.4 -2,-0.3 2,-0.1 0.314 88.5 88.8 89.4 -7.7 41.2 63.3 52.4 5 5 A G - 0 0 25 13,-0.2 2,-0.3 14,-0.1 -1,-0.3 -0.280 61.7-137.2-106.7-166.5 42.3 65.8 49.8 6 6 A R E -A 17 0A 146 11,-1.8 11,-2.6 -2,-0.1 2,-0.3 -0.993 20.8-104.9-154.7 149.7 42.3 69.6 49.5 7 7 A F E -A 16 0A 78 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.587 39.5-163.8 -74.6 140.3 41.6 72.4 47.0 8 8 A V E -A 15 0A 24 7,-2.7 7,-2.4 -2,-0.3 2,-0.6 -0.994 19.0-147.5-132.4 129.9 44.7 74.0 45.5 9 9 A D E +A 14 0A 112 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.891 40.9 148.1 -87.5 117.9 45.3 77.2 43.6 10 10 A K E > -A 13 0A 124 3,-2.0 3,-1.2 -2,-0.6 -2,-0.1 -0.961 58.9 -0.5-153.9 137.9 48.1 76.6 41.1 11 11 A D T 3 S- 0 0 120 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.812 125.2 -60.8 57.1 36.8 49.0 77.9 37.6 12 12 A N T 3 S+ 0 0 107 1,-0.3 2,-0.3 95,-0.0 -1,-0.3 0.825 120.8 97.9 57.3 34.7 45.9 80.1 37.6 13 13 A R E < S-A 10 0A 54 -3,-1.2 -3,-2.0 93,-0.1 2,-0.5 -0.880 70.6-123.9-137.2 169.1 43.7 77.0 37.9 14 14 A K E +A 9 0A 32 91,-0.4 28,-2.9 -2,-0.3 2,-0.3 -0.987 31.1 172.8-121.0 126.4 41.9 75.2 40.7 15 15 A Y E -A 8 0A 19 -7,-2.4 -7,-2.7 -2,-0.5 2,-0.5 -0.809 30.6-134.8-120.0 163.6 42.5 71.5 41.4 16 16 A Y E -A 7 0A 10 24,-0.3 7,-2.8 7,-0.3 2,-0.5 -0.976 29.6-169.0-116.8 113.6 41.5 69.1 44.1 17 17 A V E +AB 6 22A 20 -11,-2.6 -11,-1.8 -2,-0.5 2,-0.4 -0.899 11.3 179.1-111.2 124.3 44.6 67.1 45.1 18 18 A K E > S- B 0 21A 61 3,-2.3 3,-1.4 -2,-0.5 -13,-0.2 -0.982 77.5 -15.9-127.5 119.6 44.4 64.0 47.3 19 19 A D T 3 S- 0 0 121 -2,-0.4 -1,-0.1 -15,-0.4 3,-0.1 0.852 128.7 -55.4 53.7 38.2 47.6 62.1 48.2 20 20 A D T 3 S+ 0 0 147 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.545 115.5 107.8 72.4 13.4 49.4 64.0 45.3 21 21 A H E < -B 18 0A 79 -3,-1.4 -3,-2.3 41,-0.0 2,-0.4 -0.898 67.5-119.3-112.6 151.7 46.9 63.0 42.5 22 22 A K E -B 17 0A 70 -2,-0.3 40,-2.5 -5,-0.2 -5,-0.2 -0.735 20.9-120.9 -92.8 134.8 44.3 65.3 40.8 23 23 A A E -C 61 0B 0 -7,-2.8 2,-0.3 -2,-0.4 -7,-0.3 -0.460 32.0-165.4 -63.1 138.2 40.6 64.8 40.9 24 24 A I E -C 60 0B 3 36,-2.4 36,-0.7 2,-0.1 14,-0.2 -0.914 46.5 -10.6-125.3 155.5 39.0 64.4 37.5 25 25 A Y S S+ 0 0 28 12,-2.2 11,-2.0 -2,-0.3 2,-0.2 -0.139 112.4 4.3 55.7-145.9 35.4 64.6 36.4 26 26 A W E +De 35 58C 4 31,-2.2 33,-2.2 9,-0.2 34,-0.4 -0.504 63.5 170.2 -83.6 135.1 32.6 64.6 39.0 27 27 A H E -D 34 0C 3 7,-2.5 7,-2.8 -2,-0.2 2,-0.7 -1.000 29.0-144.3-140.2 139.7 33.2 64.6 42.7 28 28 A K E +D 33 0C 135 -2,-0.3 -26,-2.7 5,-0.2 2,-0.5 -0.923 32.4 175.1 -99.5 112.0 31.0 65.0 45.8 29 29 A I E > -D 32 0C 9 3,-2.5 3,-1.5 -2,-0.7 -26,-0.1 -0.979 58.8 -24.4-125.9 118.0 33.1 66.9 48.3 30 30 A D T 3 S- 0 0 157 -28,-0.5 -1,-0.1 -2,-0.5 3,-0.1 0.856 125.9 -45.1 56.6 42.9 31.9 68.2 51.7 31 31 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.551 124.4 87.3 80.5 8.6 28.2 68.4 50.8 32 32 A K E < S-D 29 0C 98 -3,-1.5 -3,-2.5 53,-0.0 2,-0.4 -0.881 70.5-124.5-132.9 164.8 28.7 70.0 47.4 33 33 A T E +D 28 0C 12 51,-0.3 51,-3.1 -2,-0.3 2,-0.3 -0.932 27.0 176.6-118.5 137.7 29.4 68.8 43.9 34 34 A Y E -D 27 0C 20 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.4 -0.870 17.6-148.1-133.0 163.3 32.3 69.7 41.6 35 35 A Y E -D 26 0C 19 47,-0.3 8,-2.3 -2,-0.3 -9,-0.2 -0.993 10.8-179.5-139.3 130.7 33.6 68.7 38.2 36 36 A F > - 0 0 0 -11,-2.0 4,-1.7 -2,-0.4 3,-0.4 0.189 31.1-141.8-120.0 13.0 37.3 68.7 37.2 37 37 A G T 4 - 0 0 12 3,-0.2 -12,-2.2 1,-0.2 -1,-0.3 -0.070 51.1 -40.6 62.4-156.8 37.2 67.6 33.6 38 38 A D T 4 S+ 0 0 111 -14,-0.2 -1,-0.2 1,-0.2 -14,-0.1 0.695 139.3 25.1 -85.5 -20.2 39.8 65.3 31.9 39 39 A I T 4 S- 0 0 93 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.395 118.5 -89.2-126.5 -0.7 43.0 66.7 33.5 40 40 A G S < S+ 0 0 0 -4,-1.7 2,-0.5 1,-0.3 -24,-0.3 0.352 70.6 143.4 117.9 -4.3 41.7 68.3 36.8 41 41 A E - 0 0 51 -5,-0.3 -1,-0.3 -26,-0.1 -26,-0.2 -0.561 51.5-125.0 -73.5 114.8 40.8 71.9 36.1 42 42 A M - 0 0 2 -28,-2.9 63,-2.9 -2,-0.5 -28,-0.2 -0.376 27.2-136.3 -60.5 132.1 37.8 72.8 38.2 43 43 A V B -F 104 0D 6 -8,-2.3 2,-0.3 61,-0.3 -8,-0.3 -0.546 19.5-169.8 -90.8 155.6 34.9 74.2 36.0 44 44 A V + 0 0 1 59,-1.8 59,-0.4 -2,-0.2 36,-0.2 -0.946 47.4 2.8-136.8 161.5 32.7 77.2 36.7 45 45 A G E S+G 78 0E 0 33,-1.6 33,-1.6 34,-0.4 2,-0.2 -0.230 110.8 7.4 65.6-151.1 29.6 78.6 35.1 46 46 A W E +Gh 77 101E 0 54,-0.9 56,-2.4 31,-0.2 57,-0.5 -0.444 69.1 176.5 -70.4 134.4 27.7 77.0 32.3 47 47 A Q E -G 76 0E 10 29,-2.5 29,-2.7 54,-0.2 2,-0.8 -0.996 28.2-152.4-144.4 131.2 29.0 73.5 31.3 48 48 A Y E +G 75 0E 68 -2,-0.4 2,-0.3 27,-0.2 27,-0.2 -0.904 44.9 158.4-103.0 103.3 27.8 70.9 28.8 49 49 A L E -G 74 0E 12 25,-2.3 25,-2.3 -2,-0.8 -2,-0.0 -0.846 48.7 -86.8-131.3 157.4 29.0 67.6 30.4 50 50 A E E -G 73 0E 31 -2,-0.3 23,-0.2 23,-0.2 22,-0.1 -0.381 62.6 -95.7 -57.8 140.0 28.5 63.9 30.6 51 51 A I - 0 0 53 21,-2.1 3,-0.4 1,-0.1 -1,-0.1 -0.326 40.6-127.7 -65.7 139.0 25.8 63.1 33.1 52 52 A P S S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.382 74.8 54.1 -80.6 162.5 27.0 62.2 36.7 53 53 A G S S+ 0 0 67 -2,-0.1 5,-0.1 -27,-0.1 -2,-0.0 0.164 72.2 96.8 109.3 -14.8 26.1 59.2 38.9 54 54 A T S S- 0 0 66 -3,-0.4 -3,-0.0 1,-0.1 4,-0.0 0.725 88.2-121.3 -76.0 -23.1 27.1 56.1 36.8 55 55 A G S > S+ 0 0 42 5,-0.0 3,-0.9 0, 0.0 -1,-0.1 -0.002 95.0 93.4 100.2 -25.4 30.5 55.7 38.3 56 56 A Y T 3 S+ 0 0 115 1,-0.3 11,-0.3 10,-0.1 13,-0.1 0.650 101.1 23.9 -78.7 -17.6 32.3 56.0 35.0 57 57 A R T 3 S+ 0 0 14 -6,-0.1 -31,-2.2 9,-0.1 2,-0.4 -0.123 111.5 96.6-131.0 37.2 32.8 59.8 35.4 58 58 A D B < S-e 26 0C 30 -3,-0.9 -31,-0.2 -33,-0.2 -33,-0.1 -0.987 84.8 -3.0-141.3 136.4 32.7 59.8 39.2 59 59 A N S S+ 0 0 67 -33,-2.2 2,-0.3 -2,-0.4 -32,-0.1 0.794 90.3 146.4 54.1 36.3 35.1 59.7 42.2 60 60 A L E -C 24 0B 20 -36,-0.7 -36,-2.4 -34,-0.4 2,-0.3 -0.739 35.3-159.0-106.0 149.0 38.0 59.4 39.8 61 61 A F E > -C 23 0B 18 -2,-0.3 3,-2.0 -38,-0.3 -38,-0.2 -0.827 34.8-106.2-122.0 163.9 41.6 60.7 40.0 62 62 A D T 3 S+ 0 0 75 -40,-2.5 -39,-0.1 1,-0.3 4,-0.1 0.557 114.4 64.4 -76.4 -7.5 44.1 61.2 37.2 63 63 A N T 3 S+ 0 0 92 -41,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.456 93.2 82.9 -82.6 -6.2 46.2 58.2 38.1 64 64 A Q S < S- 0 0 79 -3,-2.0 2,-0.1 1,-0.1 -4,-0.0 -0.695 87.7-102.3-101.9 153.8 43.2 55.9 37.3 65 65 A P - 0 0 117 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.423 31.3-141.6 -69.3 147.8 42.0 54.5 33.9 66 66 A V - 0 0 58 -2,-0.1 -9,-0.1 -4,-0.1 -10,-0.1 -0.967 17.1-120.4-117.6 120.1 39.0 56.2 32.3 67 67 A N - 0 0 83 -2,-0.5 0, 0.0 -11,-0.3 0, 0.0 -0.298 14.6-136.0 -55.1 134.2 36.3 54.1 30.5 68 68 A E + 0 0 191 2,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.300 59.0 135.9 -79.7 11.8 36.0 55.1 26.9 69 69 A I - 0 0 62 1,-0.1 2,-1.1 -13,-0.1 -2,-0.0 -0.414 54.7-136.6 -61.3 125.5 32.1 55.0 27.2 70 70 A G - 0 0 70 -2,-0.2 2,-0.1 -20,-0.0 -1,-0.1 -0.757 26.7-162.9 -87.5 97.8 30.5 58.0 25.5 71 71 A L - 0 0 27 -2,-1.1 -21,-0.0 1,-0.1 2,-0.0 -0.400 26.9 -92.4 -77.6 156.4 27.9 59.1 28.0 72 72 A Q - 0 0 150 -2,-0.1 -21,-2.1 -22,-0.1 2,-0.3 -0.307 43.9-136.6 -60.7 151.3 24.9 61.4 27.2 73 73 A E E +G 50 0E 95 -23,-0.2 2,-0.3 -3,-0.1 -23,-0.2 -0.864 24.5 172.1-118.5 150.8 25.6 65.1 27.8 74 74 A K E -G 49 0E 70 -25,-2.3 -25,-2.3 -2,-0.3 2,-0.4 -0.940 36.9 -92.6-147.0 164.7 23.4 67.8 29.4 75 75 A W E +G 48 0E 7 -2,-0.3 51,-2.5 51,-0.3 2,-0.3 -0.689 41.4 177.2 -83.8 136.0 23.8 71.4 30.6 76 76 A Y E -G 47 0E 4 -29,-2.7 -29,-2.5 -2,-0.4 2,-0.5 -0.946 20.8-138.0-130.8 153.5 24.7 72.1 34.2 77 77 A Y E -G 46 0E 24 47,-0.4 8,-3.0 8,-0.3 2,-0.4 -0.970 17.7-171.7-114.7 130.8 25.4 75.4 36.0 78 78 A F E -GI 45 84E 0 -33,-1.6 -33,-1.6 -2,-0.5 6,-0.2 -0.934 22.3-121.6-116.6 141.6 28.3 75.8 38.5 79 79 A G > - 0 0 22 4,-2.8 3,-1.7 -2,-0.4 -34,-0.4 -0.148 37.4 -98.0 -67.1 173.5 28.9 78.8 40.8 80 80 A Q T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -36,-0.2 -36,-0.0 0.622 126.1 60.0 -75.0 -12.0 32.1 80.7 40.6 81 81 A D T 3 S- 0 0 87 2,-0.2 -1,-0.3 24,-0.0 3,-0.1 0.354 122.1-108.0 -88.4 2.6 33.4 78.6 43.5 82 82 A G S < S+ 0 0 0 -3,-1.7 2,-0.3 1,-0.3 -47,-0.3 0.284 73.2 140.2 90.9 -8.8 32.9 75.5 41.4 83 83 A A - 0 0 15 -49,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.535 55.0-118.2 -76.0 128.4 29.9 74.2 43.3 84 84 A L B -I 78 0E 13 -51,-3.1 2,-0.9 -2,-0.3 -51,-0.3 -0.346 22.1-121.2 -59.1 134.9 27.1 72.7 41.2 85 85 A L - 0 0 38 -8,-3.0 2,-1.5 39,-0.1 -8,-0.3 -0.764 23.6-156.9 -75.8 108.8 23.8 74.4 41.4 86 86 A E + 0 0 81 -2,-0.9 2,-0.3 2,-0.0 -1,-0.1 -0.408 33.9 153.4 -92.2 61.6 21.6 71.6 42.6 87 87 A Q + 0 0 42 -2,-1.5 37,-0.3 37,-0.3 34,-0.1 -0.694 24.5 175.2 -95.0 139.1 18.3 73.0 41.3 88 88 A T S S+ 0 0 65 -2,-0.3 -1,-0.1 2,-0.1 35,-0.1 0.293 76.6 32.5-123.1 5.7 15.3 70.8 40.4 89 89 A D S S- 0 0 99 1,-0.2 31,-2.4 29,-0.1 2,-0.3 0.530 111.4 -54.9-124.1 -87.9 12.7 73.4 39.6 90 90 A K E -J 119 0F 76 29,-0.3 2,-0.3 36,-0.0 29,-0.2 -0.983 41.3-174.5-159.8 160.7 13.8 76.7 38.0 91 91 A Q E -J 118 0F 71 27,-2.3 27,-2.5 -2,-0.3 2,-0.6 -0.958 29.9-118.6-160.1 143.2 16.2 79.6 38.5 92 92 A V E +J 117 0F 88 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.785 48.8 163.5 -86.1 118.6 17.0 82.9 36.9 93 93 A L E -J 116 0F 13 23,-2.5 23,-2.8 -2,-0.6 3,-0.1 -0.899 46.6 -74.4-132.5 158.2 20.6 82.8 35.7 94 94 A E E -J 115 0F 6 -2,-0.3 21,-0.3 21,-0.3 19,-0.1 -0.276 63.8-100.4 -46.9 134.6 23.0 84.6 33.4 95 95 A A - 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