==== 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 2V04 . COMPND 2 MOLECULE: CHOLINE BINDING PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR J.HERMOSO,R.MOLINA,R.KAHN,M.STELTER . 310 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 31.6 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 . 10 3.2 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 . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 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 . 3 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 . 12 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 8 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 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 0 122 0, 0.0 2,-0.5 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 17.6 33.9 60.2 47.9 2 2 A T B +a 29 0A 9 26,-2.7 28,-0.6 3,-0.0 2,-0.3 -0.927 360.0 152.6 -93.4 124.6 37.4 61.3 46.8 3 3 A T + 0 0 95 -2,-0.5 3,-0.1 26,-0.1 26,-0.0 -0.920 32.1 56.6-143.7 169.8 39.5 61.8 49.9 4 4 A G S S+ 0 0 65 1,-0.3 15,-0.4 -2,-0.3 2,-0.2 0.648 88.4 87.6 83.8 18.2 43.1 61.8 51.2 5 5 A G - 0 0 28 13,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.572 61.3-132.7-128.8-169.7 44.6 64.3 48.7 6 6 A R E -D 17 0B 161 11,-2.1 11,-2.8 -2,-0.2 2,-0.3 -0.998 21.0-105.7-151.9 153.5 45.0 68.0 48.4 7 7 A F E -D 16 0B 71 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.586 37.9-164.7 -74.1 137.6 44.6 70.9 46.0 8 8 A V E -D 15 0B 28 7,-2.2 7,-2.6 -2,-0.3 2,-0.6 -0.994 14.9-148.1-130.4 128.3 47.9 72.2 44.5 9 9 A D E +D 14 0B 108 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.877 36.3 150.5 -92.1 119.7 48.6 75.4 42.7 10 10 A K E > -D 13 0B 124 3,-1.8 3,-1.1 -2,-0.6 -2,-0.1 -0.969 59.6 -1.5-151.4 137.4 51.3 74.9 40.1 11 11 A D T 3 S- 0 0 119 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.807 125.6 -57.9 56.0 37.9 52.2 76.5 36.7 12 12 A N T 3 S+ 0 0 107 1,-0.3 2,-0.3 95,-0.0 -1,-0.3 0.810 121.2 96.6 62.1 31.5 49.2 78.8 36.8 13 13 A R E < -D 10 0B 54 -3,-1.1 -3,-1.8 93,-0.1 2,-0.4 -0.884 68.8-126.9-138.1 168.9 46.8 75.8 37.1 14 14 A K E +D 9 0B 28 91,-0.3 28,-2.5 -2,-0.3 2,-0.2 -0.991 28.0 174.6-126.0 132.1 45.1 74.0 39.9 15 15 A Y E -D 8 0B 19 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.4 -0.753 29.4-132.9-123.4 167.2 45.3 70.2 40.5 16 16 A Y E -D 7 0B 8 7,-0.2 7,-2.4 -9,-0.2 2,-0.5 -0.972 29.2-167.8-123.1 116.3 44.1 67.7 43.1 17 17 A V E +DE 6 22B 31 -11,-2.8 -11,-2.1 -2,-0.4 2,-0.4 -0.898 12.2 173.0-113.2 126.6 47.0 65.4 44.0 18 18 A K E > S- E 0 21B 62 3,-2.1 3,-2.0 -2,-0.5 -13,-0.2 -0.994 75.0 -10.5-135.0 129.2 46.6 62.2 46.0 19 19 A D T 3 S- 0 0 124 -15,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.886 130.4 -56.4 47.1 42.9 49.4 59.6 46.7 20 20 A D T 3 S+ 0 0 153 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.435 114.8 113.3 74.8 4.0 51.4 61.6 44.0 21 21 A H E < -E 18 0B 67 -3,-2.0 -3,-2.1 42,-0.0 2,-0.3 -0.828 64.3-120.9-111.4 146.4 48.8 61.2 41.2 22 22 A K E -E 17 0B 77 -2,-0.3 40,-2.3 -5,-0.2 -5,-0.2 -0.641 25.0-121.0 -85.1 137.7 46.7 63.9 39.5 23 23 A A E -F 61 0C 0 -7,-2.4 2,-0.3 -2,-0.3 38,-0.2 -0.523 31.5-167.7 -71.9 138.2 42.9 63.8 39.6 24 24 A I E -F 60 0C 2 36,-2.2 36,-0.6 -2,-0.2 14,-0.2 -0.894 46.1 -10.1-123.8 157.8 41.2 63.7 36.2 25 25 A Y S S+ 0 0 31 12,-2.4 11,-1.9 -2,-0.3 2,-0.3 -0.113 112.2 3.9 53.7-144.8 37.6 64.1 35.1 26 26 A W E +cB 58 35A 5 31,-2.2 33,-2.1 9,-0.2 34,-0.5 -0.519 62.8 169.3 -85.0 135.3 34.8 64.2 37.7 27 27 A H E - B 0 34A 1 7,-2.4 7,-2.8 -2,-0.3 2,-0.7 -0.998 28.5-146.7-139.3 136.6 35.4 64.1 41.5 28 28 A K E - B 0 33A 123 -2,-0.4 -26,-2.7 5,-0.2 2,-0.5 -0.954 29.7-179.9 -95.9 114.6 33.2 64.6 44.5 29 29 A I E > -aB 2 32A 9 3,-2.9 3,-1.5 -2,-0.7 -26,-0.1 -0.972 59.2 -30.2-124.5 116.3 35.6 66.2 47.1 30 30 A D T 3 S- 0 0 152 -28,-0.6 -1,-0.1 -2,-0.5 3,-0.1 0.879 126.2 -39.7 44.8 57.4 34.4 67.2 50.6 31 31 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.490 124.6 85.7 77.6 4.4 30.8 68.0 49.7 32 32 A K E < -B 29 0A 102 -3,-1.5 -3,-2.9 51,-0.0 2,-0.4 -0.909 69.0-128.0-130.8 162.7 31.5 69.7 46.3 33 33 A T E +B 28 0A 13 -2,-0.3 51,-2.9 51,-0.3 2,-0.3 -0.937 25.6 177.1-118.5 133.9 32.0 68.5 42.8 34 34 A Y E -B 27 0A 21 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.850 18.3-148.2-128.5 162.2 35.0 69.3 40.5 35 35 A Y E -B 26 0A 18 47,-0.3 8,-2.4 -2,-0.3 -9,-0.2 -0.997 8.9-176.4-135.8 131.4 36.2 68.4 37.0 36 36 A F > - 0 0 0 -11,-1.9 4,-1.6 -2,-0.4 3,-0.3 0.161 31.9-134.2-119.8 15.9 39.8 68.1 36.1 37 37 A G T 4 - 0 0 16 3,-0.2 -12,-2.4 1,-0.2 -1,-0.3 -0.140 50.8 -47.7 69.2-161.2 39.8 67.3 32.4 38 38 A D T 4 S+ 0 0 111 -14,-0.2 -1,-0.2 1,-0.1 -14,-0.1 0.705 139.0 27.6 -87.6 -17.9 42.0 64.7 30.7 39 39 A I T 4 S- 0 0 83 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.303 120.1 -87.5-127.8 7.4 45.3 65.7 32.4 40 40 A G S < S+ 0 0 0 -4,-1.6 2,-0.6 1,-0.3 -24,-0.2 0.257 72.7 139.8 116.8 -11.5 44.3 67.3 35.7 41 41 A E - 0 0 61 -5,-0.2 -1,-0.3 -26,-0.1 -26,-0.2 -0.545 52.9-125.9 -73.3 114.5 43.6 71.0 35.2 42 42 A M - 0 0 1 -28,-2.5 63,-2.8 -2,-0.6 -6,-0.2 -0.345 26.2-134.9 -60.9 132.7 40.6 72.0 37.2 43 43 A V B -G 104 0D 7 -8,-2.4 2,-0.3 61,-0.3 61,-0.3 -0.515 18.5-166.3 -90.1 157.3 37.9 73.7 35.1 44 44 A V + 0 0 1 59,-2.1 59,-0.3 -2,-0.2 36,-0.2 -0.958 48.2 0.1-136.1 160.5 35.9 76.9 35.8 45 45 A G E S+H 78 0E 0 33,-1.7 33,-1.6 34,-0.5 2,-0.2 -0.257 110.4 9.1 64.4-148.9 32.9 78.6 34.4 46 46 A W E +Hi 77 101E 0 54,-0.9 56,-1.9 31,-0.2 57,-0.5 -0.425 68.5 175.1 -73.8 132.1 30.9 77.1 31.4 47 47 A Q E -H 76 0E 10 29,-2.5 29,-2.7 54,-0.2 2,-0.8 -1.000 29.3-150.3-141.7 136.1 31.8 73.6 30.3 48 48 A Y E +H 75 0E 55 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.892 45.2 158.9-104.1 100.5 30.4 71.2 27.7 49 49 A L E -H 74 0E 12 25,-2.4 25,-2.5 -2,-0.8 2,-0.1 -0.839 48.7 -89.7-128.9 158.4 31.3 67.8 29.3 50 50 A E E -H 73 0E 35 -2,-0.3 23,-0.2 23,-0.3 22,-0.1 -0.396 62.0 -95.7 -58.9 139.0 30.5 64.1 29.4 51 51 A I - 0 0 35 21,-1.9 3,-0.4 1,-0.1 -1,-0.1 -0.307 40.6-130.1 -65.2 139.2 27.8 63.4 32.0 52 52 A P S S+ 0 0 44 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.375 72.3 59.8 -80.6 165.9 29.0 62.4 35.5 53 53 A G S S+ 0 0 68 -2,-0.1 5,-0.0 -27,-0.1 -2,-0.0 0.114 70.8 92.8 113.4 -17.5 27.9 59.5 37.6 54 54 A T S S- 0 0 69 -3,-0.4 -3,-0.0 1,-0.1 4,-0.0 0.733 88.9-121.2 -77.8 -23.8 28.6 56.3 35.6 55 55 A G S > S+ 0 0 35 5,-0.0 3,-0.9 0, 0.0 -1,-0.1 0.042 94.4 94.8 101.9 -23.5 32.0 55.6 37.1 56 56 A Y T 3 S+ 0 0 113 1,-0.2 11,-0.3 10,-0.1 3,-0.0 0.637 101.8 23.1 -78.2 -15.2 33.7 55.7 33.7 57 57 A R T 3 S+ 0 0 21 -6,-0.1 -31,-2.2 9,-0.1 2,-0.3 -0.119 114.2 91.2-134.2 36.3 34.6 59.4 34.1 58 58 A D B < S+c 26 0A 15 -3,-0.9 -31,-0.2 -33,-0.2 3,-0.1 -0.982 85.5 4.0-142.0 141.9 34.5 59.5 37.9 59 59 A N S S+ 0 0 64 -33,-2.1 2,-0.3 -2,-0.3 -32,-0.1 0.779 91.4 147.3 54.6 31.1 36.8 59.0 40.8 60 60 A L E -F 24 0C 24 -36,-0.6 -36,-2.2 -34,-0.5 2,-0.3 -0.701 33.8-164.1-103.7 148.9 39.7 58.6 38.3 61 61 A F E > -F 23 0C 22 -2,-0.3 3,-1.9 -38,-0.2 -38,-0.2 -0.873 36.3-107.7-125.7 161.1 43.4 59.5 38.5 62 62 A D T 3 S+ 0 0 82 -40,-2.3 -39,-0.1 -2,-0.3 4,-0.1 0.487 115.0 62.4 -74.6 -3.9 46.0 59.8 35.7 63 63 A N T 3 S+ 0 0 89 -41,-0.2 -1,-0.3 2,-0.1 -42,-0.0 0.351 94.5 80.7 -91.5 1.4 47.8 56.6 36.8 64 64 A Q S < S- 0 0 81 -3,-1.9 2,-0.1 1,-0.0 -4,-0.0 -0.812 92.0 -96.9-110.8 148.8 44.6 54.6 36.1 65 65 A P - 0 0 110 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.392 31.0-139.7 -62.2 137.9 43.3 53.3 32.7 66 66 A V - 0 0 70 -4,-0.1 -9,-0.1 -2,-0.1 -10,-0.1 -0.921 23.6-134.3-103.8 114.3 40.7 55.5 31.1 67 67 A N - 0 0 84 -2,-0.6 2,-0.4 -11,-0.3 -1,-0.0 -0.171 14.5-110.2 -67.6 152.6 37.9 53.4 29.5 68 68 A E + 0 0 194 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.702 54.5 157.7 -74.6 133.7 36.4 53.7 26.1 69 69 A I - 0 0 49 -2,-0.4 2,-0.7 -3,-0.1 -3,-0.0 -0.971 41.1-133.5-163.3 149.2 32.8 54.9 26.7 70 70 A G + 0 0 75 -2,-0.3 2,-0.4 -20,-0.0 -2,-0.0 -0.923 37.0 160.7-113.8 106.1 30.0 56.7 24.9 71 71 A L - 0 0 35 -2,-0.7 -2,-0.1 100,-0.0 0, 0.0 -0.990 39.4-113.9-129.5 136.4 28.4 59.4 26.9 72 72 A Q - 0 0 66 -2,-0.4 -21,-1.9 -22,-0.1 2,-0.4 -0.239 31.0-130.5 -59.8 151.8 26.3 62.4 26.0 73 73 A E E +H 50 0E 90 -23,-0.2 2,-0.3 98,-0.1 -23,-0.3 -0.852 28.3 178.0-104.8 143.8 27.8 65.8 26.6 74 74 A K E -H 49 0E 40 -25,-2.5 -25,-2.4 -2,-0.4 2,-0.3 -0.941 33.6 -96.1-139.0 163.2 25.9 68.5 28.4 75 75 A W E +H 48 0E 7 -2,-0.3 51,-2.4 51,-0.3 2,-0.3 -0.666 42.0 177.4 -80.9 133.8 26.5 72.1 29.5 76 76 A Y E -H 47 0E 4 -29,-2.7 -29,-2.5 -2,-0.3 2,-0.5 -0.925 20.5-138.9-130.5 154.6 27.6 72.6 33.2 77 77 A Y E -H 46 0E 31 47,-0.4 8,-3.2 8,-0.4 2,-0.4 -0.983 17.4-173.7-119.2 126.6 28.5 75.7 35.2 78 78 A F E -HJ 45 84E 0 -33,-1.6 -33,-1.7 -2,-0.5 6,-0.2 -0.926 24.0-119.2-113.3 142.0 31.4 75.7 37.7 79 79 A G > - 0 0 21 4,-3.0 3,-1.7 -2,-0.4 -34,-0.5 -0.116 37.4 -97.0 -63.6 173.3 32.3 78.6 40.0 80 80 A Q T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -36,-0.2 -36,-0.0 0.595 127.6 60.1 -71.8 -12.2 35.7 80.4 39.8 81 81 A D T 3 S- 0 0 85 2,-0.2 -1,-0.3 24,-0.1 3,-0.1 0.274 121.9-108.7 -89.9 6.4 36.7 78.0 42.7 82 82 A G S < S+ 0 0 0 -3,-1.7 -47,-0.3 1,-0.3 2,-0.3 0.329 73.0 140.4 85.9 -7.3 36.0 75.0 40.4 83 83 A A - 0 0 13 -49,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.528 55.3-117.3 -77.2 131.8 32.9 73.9 42.3 84 84 A L B -J 78 0E 14 -51,-2.9 2,-0.9 -2,-0.3 -51,-0.3 -0.419 21.9-122.8 -66.6 135.8 30.0 72.7 40.2 85 85 A L - 0 0 39 -8,-3.2 2,-1.4 39,-0.1 -8,-0.4 -0.760 23.0-158.1 -79.3 108.6 26.8 74.7 40.5 86 86 A E + 0 0 86 -2,-0.9 2,-0.3 2,-0.0 -1,-0.1 -0.418 32.3 154.0 -93.3 59.8 24.4 72.1 41.6 87 87 A Q + 0 0 42 -2,-1.4 37,-0.3 37,-0.3 34,-0.1 -0.640 23.7 176.6 -89.7 141.7 21.3 73.9 40.5 88 88 A T S S+ 0 0 63 -2,-0.3 -1,-0.1 2,-0.1 37,-0.0 0.251 76.8 31.1-125.3 9.2 18.1 71.9 39.6 89 89 A D S S- 0 0 86 1,-0.2 31,-2.3 29,-0.1 2,-0.3 0.459 110.7 -52.6-128.8 -88.0 15.8 74.7 38.8 90 90 A K E -K 119 0F 76 29,-0.3 2,-0.3 36,-0.0 29,-0.2 -0.985 41.2-178.2-160.2 163.0 17.1 78.0 37.3 91 91 A Q E -K 118 0F 70 27,-2.0 27,-2.3 -2,-0.3 2,-0.5 -0.902 31.0-116.9-167.9 138.7 19.7 80.7 37.8 92 92 A V E +K 117 0F 86 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.685 49.3 160.1 -79.5 125.8 20.8 83.9 36.2 93 93 A L E -K 116 0F 14 23,-2.3 23,-2.4 -2,-0.5 3,-0.1 -0.927 48.3 -72.2-142.5 161.1 24.3 83.5 34.9 94 94 A E E -K 115 0F 7 -2,-0.3 21,-0.2 21,-0.2 2,-0.1 -0.304 62.9-103.2 -51.2 137.0 26.8 85.1 32.5 95 95 A A - 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