==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHOLINE-BINDING PROTEIN 10-MAR-10 2X8O . 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) . 17981.0 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 . 98 31.5 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 . 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 . 12 3 0 3 6 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 . 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 0 125 0, 0.0 2,-0.7 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 18.0 -34.2 2.8 -48.8 2 2 A T + 0 0 9 26,-2.6 28,-0.3 2,-0.0 2,-0.2 -0.889 360.0 153.8 -99.8 114.8 -37.8 3.6 -47.8 3 3 A T + 0 0 96 -2,-0.7 3,-0.1 1,-0.1 26,-0.0 -0.719 36.4 59.8-130.8-178.8 -39.9 4.2 -50.9 4 4 A G S S+ 0 0 64 1,-0.3 15,-0.6 -2,-0.2 2,-0.2 0.591 91.9 87.9 74.0 10.3 -43.5 3.9 -52.0 5 5 A G E -A 18 0A 26 13,-0.2 2,-0.3 -3,-0.1 13,-0.3 -0.525 61.1-140.4-124.6-167.3 -44.6 6.5 -49.5 6 6 A R E -A 17 0A 162 11,-2.2 11,-3.3 -2,-0.2 2,-0.2 -0.989 22.3-103.2-159.9 151.4 -45.0 10.2 -49.2 7 7 A F E -A 16 0A 67 -2,-0.3 2,-0.4 9,-0.3 9,-0.3 -0.522 38.6-165.8 -74.5 140.0 -44.6 13.1 -46.8 8 8 A V E -A 15 0A 32 7,-3.0 7,-2.9 -2,-0.2 2,-0.5 -0.996 14.0-147.5-134.4 134.3 -47.9 14.3 -45.3 9 9 A D E +A 14 0A 103 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.852 34.6 149.2 -99.0 132.4 -48.7 17.5 -43.4 10 10 A K E > +A 13 0A 122 3,-2.7 3,-1.4 -2,-0.5 -2,-0.1 -0.939 58.6 0.8-165.7 140.9 -51.4 17.2 -40.7 11 11 A D T 3 S- 0 0 124 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.794 127.2 -58.9 49.3 33.2 -52.4 18.7 -37.4 12 12 A N T 3 S+ 0 0 100 1,-0.3 2,-0.3 95,-0.0 -1,-0.3 0.855 120.8 100.9 66.2 36.3 -49.3 21.0 -37.6 13 13 A R E < -A 10 0A 53 -3,-1.4 -3,-2.7 93,-0.1 2,-0.4 -0.919 66.7-128.3-141.7 163.8 -47.0 18.0 -37.8 14 14 A K E +A 9 0A 30 91,-0.4 28,-2.5 -2,-0.3 2,-0.3 -0.969 27.9 173.2-121.8 135.9 -45.2 16.2 -40.7 15 15 A Y E -A 8 0A 18 -7,-2.9 -7,-3.0 -2,-0.4 2,-0.5 -0.813 28.9-132.9-131.7 170.1 -45.4 12.5 -41.3 16 16 A Y E -A 7 0A 9 -9,-0.3 7,-2.1 -2,-0.3 2,-0.4 -0.985 29.4-167.6-126.8 116.4 -44.2 10.0 -44.0 17 17 A V E +AB 6 22A 38 -11,-3.3 -11,-2.2 -2,-0.5 2,-0.3 -0.909 12.6 172.4-115.3 134.8 -46.9 7.6 -45.0 18 18 A K E > S-AB 5 21A 58 3,-2.1 3,-3.3 -2,-0.4 -13,-0.2 -0.991 73.8 -7.7-135.8 143.0 -46.7 4.4 -47.0 19 19 A D T 3 S- 0 0 125 -15,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.792 131.2 -57.8 39.6 33.4 -49.3 1.7 -47.8 20 20 A D T 3 S+ 0 0 145 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.654 114.1 112.2 75.5 20.8 -51.4 3.7 -45.2 21 21 A H E < -B 18 0A 68 -3,-3.3 -3,-2.1 42,-0.0 2,-0.3 -0.914 64.9-118.5-124.4 151.6 -48.9 3.4 -42.3 22 22 A K E -B 17 0A 73 -2,-0.3 40,-3.0 -5,-0.2 41,-0.2 -0.672 26.0-125.2 -88.6 139.1 -46.8 6.0 -40.5 23 23 A A E -C 61 0B 0 -7,-2.1 2,-0.3 -2,-0.3 38,-0.3 -0.566 29.0-165.2 -80.3 145.4 -43.0 5.7 -40.5 24 24 A I E -C 60 0B 4 36,-2.5 36,-0.6 -2,-0.2 14,-0.2 -0.896 45.4 -8.6-128.9 161.0 -41.3 5.7 -37.1 25 25 A Y S S+ 0 0 33 12,-2.7 11,-2.4 -2,-0.3 2,-0.2 -0.119 111.6 4.9 52.0-145.6 -37.7 6.2 -35.9 26 26 A W E +De 35 58C 3 31,-2.0 33,-2.4 9,-0.2 34,-0.5 -0.465 63.8 166.6 -78.4 138.5 -34.9 6.3 -38.5 27 27 A H E -D 34 0C 2 7,-2.4 7,-3.2 -2,-0.2 2,-0.7 -0.996 29.8-144.9-148.6 138.9 -35.5 6.2 -42.3 28 28 A K E +D 33 0C 127 -2,-0.3 -26,-2.6 5,-0.2 2,-0.5 -0.925 30.1 178.4-103.8 111.0 -33.3 6.9 -45.4 29 29 A I E > -D 32 0C 9 3,-2.6 3,-1.1 -2,-0.7 -26,-0.1 -0.952 59.3 -28.6-123.7 116.3 -35.7 8.5 -48.0 30 30 A D T 3 S- 0 0 155 -2,-0.5 -1,-0.1 -28,-0.3 3,-0.1 0.900 126.9 -39.6 49.7 54.6 -34.5 9.7 -51.4 31 31 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.483 124.5 85.9 80.1 2.6 -30.9 10.5 -50.5 32 32 A K E < -D 29 0C 99 -3,-1.1 -3,-2.6 53,-0.0 2,-0.4 -0.917 69.0-128.1-132.6 159.9 -31.6 12.0 -47.1 33 33 A T E +D 28 0C 12 -2,-0.3 51,-2.5 51,-0.3 2,-0.3 -0.922 26.0 179.5-114.2 135.1 -32.1 10.6 -43.5 34 34 A Y E -D 27 0C 20 -7,-3.2 -7,-2.4 -2,-0.4 2,-0.4 -0.836 17.6-148.2-128.3 164.3 -35.1 11.4 -41.3 35 35 A Y E -D 26 0C 19 47,-0.3 8,-2.2 -2,-0.3 -9,-0.2 -0.993 10.3-178.6-136.8 127.4 -36.2 10.5 -37.8 36 36 A F > - 0 0 0 -11,-2.4 4,-1.7 -2,-0.4 3,-0.3 0.237 29.7-139.9-113.1 13.9 -39.9 10.2 -36.9 37 37 A G T 4 - 0 0 13 3,-0.2 -12,-2.7 1,-0.2 -1,-0.3 -0.170 51.9 -44.9 63.9-156.7 -39.9 9.3 -33.2 38 38 A D T 4 S+ 0 0 107 -14,-0.2 -1,-0.2 1,-0.1 -14,-0.0 0.738 138.9 29.0 -85.6 -24.2 -42.2 6.7 -31.7 39 39 A I T 4 S- 0 0 93 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.408 117.6 -91.5-118.1 2.7 -45.5 7.9 -33.3 40 40 A G S < S+ 0 0 0 -4,-1.7 2,-0.6 1,-0.3 -24,-0.2 0.320 71.0 143.4 110.2 -10.7 -44.3 9.4 -36.6 41 41 A E - 0 0 52 -5,-0.3 -1,-0.3 -26,-0.1 -26,-0.2 -0.535 51.7-125.2 -69.8 115.3 -43.8 13.1 -35.9 42 42 A M - 0 0 1 -28,-2.5 63,-2.8 -2,-0.6 -28,-0.2 -0.354 25.5-138.1 -61.8 133.0 -40.8 14.2 -38.0 43 43 A V B -F 104 0D 6 -8,-2.2 2,-0.3 61,-0.3 61,-0.3 -0.531 18.8-171.7 -93.4 161.9 -38.1 15.9 -35.9 44 44 A V + 0 0 1 59,-1.9 59,-0.4 -2,-0.2 35,-0.2 -0.973 47.3 6.3-146.6 157.6 -36.0 19.0 -36.6 45 45 A G E S+G 78 0E 0 33,-1.7 33,-2.0 34,-0.5 2,-0.2 -0.336 110.5 7.1 70.6-152.4 -33.0 20.7 -35.1 46 46 A W E +Gh 77 101E 0 54,-1.0 56,-2.5 31,-0.2 57,-0.4 -0.476 69.1 175.7 -70.8 130.1 -31.0 19.2 -32.2 47 47 A Q E -G 76 0E 9 29,-2.5 29,-2.7 -2,-0.2 2,-0.8 -0.999 28.4-151.6-139.5 139.8 -31.9 15.7 -31.1 48 48 A Y E +G 75 0E 53 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.902 43.9 158.6-109.1 99.0 -30.6 13.2 -28.5 49 49 A L E -G 74 0E 12 25,-2.2 25,-2.6 -2,-0.8 2,-0.1 -0.811 48.8 -89.3-127.4 164.3 -31.4 9.8 -30.1 50 50 A E E -G 73 0E 37 -2,-0.3 23,-0.2 23,-0.3 22,-0.1 -0.439 62.8 -94.7 -65.3 140.0 -30.6 6.1 -30.1 51 51 A I - 0 0 50 21,-2.0 3,-0.4 -2,-0.1 -1,-0.1 -0.292 41.4-130.6 -61.8 137.9 -27.9 5.5 -32.8 52 52 A P S S+ 0 0 44 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.341 72.6 59.7 -85.4 168.6 -29.1 4.5 -36.2 53 53 A G S S+ 0 0 66 -2,-0.1 5,-0.0 4,-0.1 -2,-0.0 0.143 70.7 94.3 106.2 -20.6 -28.0 1.6 -38.4 54 54 A T S S- 0 0 63 -3,-0.4 -3,-0.0 1,-0.1 4,-0.0 0.769 89.1-121.9 -76.3 -26.5 -28.6 -1.6 -36.4 55 55 A G S > S+ 0 0 37 5,-0.0 3,-0.7 0, 0.0 -1,-0.1 0.110 93.2 96.3 104.4 -18.9 -32.0 -2.3 -37.9 56 56 A Y T 3 S+ 0 0 110 1,-0.2 11,-0.2 10,-0.1 3,-0.0 0.616 100.7 23.0 -78.4 -13.9 -33.8 -2.2 -34.5 57 57 A R T 3 S+ 0 0 19 -6,-0.1 -31,-2.0 9,-0.1 2,-0.4 -0.116 111.8 96.7-139.2 34.0 -34.8 1.5 -35.0 58 58 A D B < S-e 26 0C 17 -3,-0.7 -31,-0.2 -33,-0.2 3,-0.1 -0.981 84.5 -0.4-135.2 141.6 -34.6 1.6 -38.7 59 59 A N S S+ 0 0 63 -33,-2.4 2,-0.2 -2,-0.4 -32,-0.1 0.766 90.0 149.1 57.6 29.1 -37.0 1.3 -41.7 60 60 A L E -C 24 0B 24 -36,-0.6 -36,-2.5 -34,-0.5 2,-0.3 -0.639 33.2-161.0 -97.9 153.1 -39.8 0.7 -39.2 61 61 A F E > -C 23 0B 26 -38,-0.3 3,-2.4 -2,-0.2 -38,-0.2 -0.908 35.8-107.1-126.5 154.0 -43.5 1.7 -39.5 62 62 A D T 3 S+ 0 0 76 -40,-3.0 -39,-0.1 -2,-0.3 4,-0.1 0.402 116.6 62.1 -65.4 5.9 -46.1 2.0 -36.7 63 63 A N T 3 S+ 0 0 88 -41,-0.2 -1,-0.3 2,-0.1 -40,-0.1 0.288 93.9 81.1-109.3 5.3 -47.8 -1.2 -37.8 64 64 A Q S < S- 0 0 83 -3,-2.4 2,-0.1 1,-0.0 -4,-0.0 -0.794 89.9 -97.7-112.2 154.5 -44.6 -3.2 -37.0 65 65 A P - 0 0 109 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.447 29.6-142.0 -69.7 140.0 -43.2 -4.6 -33.7 66 66 A V - 0 0 60 -2,-0.1 -9,-0.1 -4,-0.1 3,-0.1 -0.908 21.3-134.0-107.2 108.0 -40.6 -2.4 -32.1 67 67 A N - 0 0 87 -2,-0.7 2,-0.3 -11,-0.2 0, 0.0 -0.177 17.9-111.4 -59.4 148.4 -37.9 -4.7 -30.5 68 68 A E + 0 0 195 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.640 53.9 163.6 -76.1 138.9 -36.7 -4.1 -27.0 69 69 A I - 0 0 61 -2,-0.3 2,-0.8 -3,-0.1 -3,-0.0 -0.985 42.1-132.7-160.8 149.3 -33.1 -3.0 -27.5 70 70 A G + 0 0 65 -2,-0.3 2,-0.4 -20,-0.0 -2,-0.0 -0.858 38.9 162.4-109.4 96.1 -30.3 -1.3 -25.6 71 71 A L - 0 0 26 -2,-0.8 -2,-0.1 100,-0.0 -21,-0.0 -0.943 37.3-120.6-116.9 135.9 -28.8 1.4 -27.8 72 72 A Q - 0 0 57 -2,-0.4 -21,-2.0 -22,-0.1 2,-0.3 -0.269 29.4-129.8 -65.9 159.3 -26.6 4.3 -26.7 73 73 A E E +G 50 0E 85 -23,-0.2 2,-0.3 98,-0.0 -23,-0.3 -0.852 27.1 176.3-114.1 150.9 -27.9 7.8 -27.5 74 74 A K E -G 49 0E 43 -25,-2.6 -25,-2.2 -2,-0.3 2,-0.3 -0.931 34.8 -93.3-145.2 167.6 -26.0 10.6 -29.1 75 75 A W E +G 48 0E 7 -2,-0.3 51,-2.5 51,-0.3 2,-0.3 -0.685 41.6 176.3 -87.8 137.0 -26.6 14.1 -30.3 76 76 A Y E -G 47 0E 5 -29,-2.7 -29,-2.5 -2,-0.3 2,-0.5 -0.948 21.6-136.0-135.5 154.2 -27.6 14.6 -34.0 77 77 A Y E -G 46 0E 32 47,-0.4 8,-2.9 8,-0.4 2,-0.4 -0.962 17.3-168.8-118.0 129.2 -28.6 17.8 -35.9 78 78 A F E -GI 45 84E 0 -33,-2.0 -33,-1.7 -2,-0.5 6,-0.2 -0.916 21.4-121.0-115.7 143.7 -31.5 17.9 -38.3 79 79 A G > - 0 0 22 4,-3.1 3,-1.6 -2,-0.4 -34,-0.5 -0.111 37.4 -97.4 -69.8 176.0 -32.3 20.7 -40.8 80 80 A Q T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -36,-0.2 -36,-0.0 0.600 127.4 56.2 -74.0 -8.6 -35.6 22.5 -40.6 81 81 A D T 3 S- 0 0 82 2,-0.1 -1,-0.3 24,-0.1 -37,-0.1 0.305 123.6-106.6 -99.6 3.7 -36.9 20.2 -43.4 82 82 A G S < S+ 0 0 0 -3,-1.6 -47,-0.3 1,-0.3 2,-0.2 0.383 72.4 141.0 89.9 -4.8 -36.0 17.2 -41.2 83 83 A A - 0 0 14 -49,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.531 55.9-113.8 -76.4 136.2 -33.0 16.0 -43.1 84 84 A L B -I 78 0E 14 -51,-2.5 2,-0.9 -2,-0.2 -51,-0.3 -0.438 23.9-123.8 -67.1 135.9 -30.0 14.7 -41.0 85 85 A L - 0 0 40 -8,-2.9 2,-1.3 -2,-0.1 -8,-0.4 -0.751 21.8-156.6 -81.5 111.6 -26.9 16.9 -41.2 86 86 A E + 0 0 94 -2,-0.9 2,-0.3 2,-0.0 -1,-0.1 -0.407 33.1 153.3 -91.2 60.5 -24.4 14.3 -42.4 87 87 A Q + 0 0 41 -2,-1.3 37,-0.3 37,-0.2 34,-0.1 -0.688 22.0 175.0 -90.0 138.5 -21.3 16.1 -41.1 88 88 A T S S+ 0 0 66 -2,-0.3 -1,-0.1 2,-0.1 35,-0.1 0.298 76.4 33.3-123.4 4.9 -18.2 14.1 -40.2 89 89 A D S S- 0 0 88 1,-0.2 31,-2.4 29,-0.1 2,-0.3 0.541 111.5 -56.1-121.3 -87.1 -15.7 16.9 -39.4 90 90 A K E -J 119 0F 77 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