==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 26-APR-11 3RPK . COMPND 2 MOLECULE: BACKBONE PILUS SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR N.G.PATERSON,E.N.BAKER . 1180 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 740 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 332 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 120 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 9.7 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 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 2 0 0 2 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 . 30 8 6 12 10 8 0 2 0 2 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 4 6 6 2 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 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 33 A T 0 0 123 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -3.5 -5.2 -38.0 21.8 2 34 A T + 0 0 7 1,-0.2 138,-0.2 93,-0.2 139,-0.2 -0.849 360.0 178.9-101.7 87.1 -6.2 -34.8 20.0 3 35 A T + 0 0 68 -2,-0.9 93,-1.3 137,-0.7 92,-1.3 0.784 64.1 21.7 -62.0 -32.8 -6.0 -36.2 16.4 4 36 A S E -Ab 94 141A 12 136,-1.8 138,-2.9 90,-0.3 2,-0.4 -0.993 54.5-164.4-143.6 147.9 -7.2 -32.9 14.8 5 37 A V E -Ab 93 142A 1 88,-1.5 88,-3.0 -2,-0.3 2,-0.5 -0.998 14.7-158.1-129.4 120.8 -7.3 -29.1 15.6 6 38 A T E -Ab 92 143A 10 136,-2.5 138,-2.8 -2,-0.4 2,-0.5 -0.938 8.4-150.7-103.4 118.7 -9.6 -26.9 13.3 7 39 A V E -Ab 91 144A 0 84,-2.6 84,-2.8 -2,-0.5 2,-0.5 -0.831 9.6-161.6 -96.3 124.5 -8.7 -23.2 13.3 8 40 A H - 0 0 8 136,-2.6 2,-0.5 -2,-0.5 33,-0.1 -0.929 5.3-155.8-108.4 125.6 -11.7 -20.8 12.7 9 41 A K E -D 40 0B 0 31,-0.6 31,-2.7 -2,-0.5 2,-0.3 -0.839 20.6-176.6 -96.0 129.2 -11.1 -17.2 11.6 10 42 A L E -D 39 0B 1 -2,-0.5 2,-0.6 136,-0.4 29,-0.2 -0.936 28.2-152.1-127.3 151.9 -14.0 -14.9 12.5 11 43 A L E +D 38 0B 12 27,-2.8 27,-2.1 -2,-0.3 2,-0.3 -0.962 47.4 140.1-120.5 98.1 -14.9 -11.2 11.9 12 44 A A - 0 0 10 -2,-0.6 2,-0.1 25,-0.2 243,-0.1 -0.901 52.4-103.3-136.4 167.9 -17.1 -10.4 14.8 13 45 A T >> - 0 0 26 -2,-0.3 4,-2.3 242,-0.1 3,-0.6 -0.458 45.8 -97.7 -83.8 162.9 -17.8 -7.6 17.3 14 46 A D T 34 S+ 0 0 70 181,-0.3 -1,-0.1 1,-0.2 181,-0.0 -0.787 122.1 46.4 -82.4 121.8 -16.4 -7.8 20.9 15 47 A G T 3> S+ 0 0 32 -2,-0.6 4,-1.3 -3,-0.0 -1,-0.2 -0.400 112.6 51.3 131.9 -45.2 -19.6 -9.1 22.6 16 48 A D H <> S+ 0 0 22 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.842 111.8 47.6 -80.0 -40.3 -20.0 -11.7 19.8 17 49 A X H X S+ 0 0 25 -4,-2.3 4,-1.6 1,-0.2 -3,-0.2 0.768 114.1 47.6 -68.7 -29.2 -16.3 -12.7 20.5 18 50 A D H > S+ 0 0 92 2,-0.2 4,-2.1 -5,-0.2 -2,-0.2 0.825 106.1 56.2 -79.4 -35.4 -17.3 -12.7 24.2 19 51 A K H X S+ 0 0 106 -4,-1.3 4,-1.1 1,-0.2 -2,-0.2 0.896 114.2 41.8 -59.8 -43.6 -20.5 -14.8 23.4 20 52 A I H < S+ 0 0 3 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.871 110.2 59.5 -67.8 -44.3 -18.0 -17.4 21.8 21 53 A A H >< S+ 0 0 58 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.927 110.0 38.3 -53.0 -55.7 -15.5 -16.9 24.7 22 54 A N H 3< S+ 0 0 121 -4,-2.1 2,-0.6 1,-0.2 -1,-0.2 0.786 102.6 73.2 -68.4 -30.6 -17.8 -18.1 27.6 23 55 A E T 3< 0 0 142 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.037 360.0 360.0 -77.0 31.1 -19.4 -20.8 25.4 24 56 A L < 0 0 82 -3,-0.6 3,-0.1 -2,-0.6 5,-0.0 -0.917 360.0 360.0-171.3 360.0 -16.1 -23.0 25.7 25 ! 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 26 62 A A 0 0 48 0, 0.0 2,-0.3 0, 0.0 118,-0.2 0.000 360.0 360.0 360.0 131.0 -10.1 -23.6 22.1 27 63 A G B -C 143 0A 12 116,-1.7 116,-2.0 -3,-0.1 2,-0.2 -0.942 360.0 -5.6 157.2-132.3 -12.4 -26.6 22.9 28 64 A N S S- 0 0 111 -2,-0.3 114,-0.1 114,-0.2 111,-0.0 -0.512 85.2 -77.4 -90.0 162.1 -15.4 -28.2 21.1 29 65 A K - 0 0 133 112,-0.3 2,-0.8 -2,-0.2 -1,-0.1 -0.347 45.2-121.5 -62.4 135.0 -17.1 -26.9 17.9 30 66 A V - 0 0 13 1,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.792 26.1-162.0 -81.5 111.1 -19.3 -23.9 18.7 31 67 A G S S+ 0 0 60 -2,-0.8 2,-0.6 1,-0.2 -1,-0.2 0.998 75.9 32.9 -56.2 -73.8 -22.7 -25.2 17.3 32 68 A V S S- 0 0 133 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.792 81.3-151.9 -92.1 118.2 -24.6 -21.9 17.0 33 69 A L - 0 0 43 -2,-0.6 -2,-0.0 1,-0.2 6,-0.0 -0.538 36.9 -79.5 -84.2 156.6 -22.3 -18.9 16.1 34 70 A P - 0 0 14 0, 0.0 -1,-0.2 0, 0.0 -18,-0.1 -0.058 48.7-102.1 -54.8 161.1 -23.3 -15.4 17.2 35 71 A A S S+ 0 0 84 1,-0.2 -2,-0.1 -3,-0.1 -19,-0.0 0.918 113.8 17.4 -45.9 -65.9 -26.0 -13.5 15.2 36 72 A N S S+ 0 0 115 2,-0.1 -1,-0.2 -23,-0.0 2,-0.2 0.460 96.5 118.1 -93.9 -7.2 -23.9 -11.1 13.1 37 73 A A - 0 0 5 -25,-0.1 2,-0.4 -27,-0.1 -25,-0.2 -0.427 50.5-157.4 -65.0 128.4 -20.5 -12.9 13.6 38 74 A K E -D 11 0B 41 -27,-2.1 -27,-2.8 -2,-0.2 2,-0.3 -0.937 10.2-136.5-119.8 136.2 -19.1 -14.2 10.2 39 75 A E E -D 10 0B 26 -2,-0.4 2,-0.4 -29,-0.2 -29,-0.2 -0.671 22.8-145.8 -86.7 138.8 -16.7 -17.0 9.5 40 76 A I E -D 9 0B 0 -31,-2.7 -31,-0.6 -2,-0.3 3,-0.3 -0.941 7.3-156.6-119.0 132.8 -14.0 -16.3 7.0 41 77 A A B S+E 115 0C 17 74,-2.5 74,-2.4 -2,-0.4 46,-0.2 -0.630 70.6 47.4 -97.0 157.1 -12.3 -18.6 4.4 42 78 A G S S+ 0 0 13 44,-2.6 71,-1.5 1,-0.3 2,-0.5 0.537 71.1 144.9 88.3 11.1 -8.9 -18.2 2.8 43 79 A V - 0 0 0 -3,-0.3 43,-1.9 69,-0.2 2,-0.5 -0.752 43.2-139.5 -90.1 123.2 -7.0 -17.4 6.0 44 80 A X E +G 85 0D 22 -2,-0.5 64,-2.2 64,-0.5 2,-0.3 -0.721 23.7 178.6 -83.0 116.3 -3.5 -18.8 6.3 45 81 A F E -GH 84 107D 0 39,-1.9 39,-1.6 -2,-0.5 2,-0.3 -0.936 5.7-168.8-119.3 143.2 -2.4 -20.2 9.7 46 82 A V E -GH 83 106D 0 60,-2.5 60,-2.2 -2,-0.3 2,-0.4 -0.953 16.9-128.6-130.5 147.0 1.0 -21.8 10.5 47 83 A W E - H 0 105D 0 35,-1.2 8,-2.4 8,-0.3 35,-0.3 -0.809 27.1-177.6-102.5 141.9 2.1 -23.8 13.6 48 84 A T E -IH 54 104D 0 56,-3.0 56,-2.0 -2,-0.4 6,-0.2 -0.838 29.8-100.4-128.9 168.3 5.2 -23.1 15.6 49 85 A N > - 0 0 36 4,-2.1 3,-1.3 -2,-0.3 55,-0.2 -0.182 48.0-100.2 -67.2 169.0 7.2 -24.4 18.6 50 86 A T T 3 S+ 0 0 65 52,-0.4 53,-0.1 1,-0.3 -1,-0.1 0.798 129.8 59.4 -67.0 -23.8 6.7 -22.7 22.0 51 87 A N T 3 S- 0 0 107 2,-0.1 -1,-0.3 53,-0.0 -2,-0.0 -0.063 125.6-105.1 -93.8 25.7 10.0 -20.9 20.9 52 88 A N S < S+ 0 0 24 -3,-1.3 14,-2.5 1,-0.2 2,-0.5 0.501 72.3 144.7 60.6 15.6 8.3 -19.5 17.7 53 89 A E E -K 65 0E 58 12,-0.2 -4,-2.1 1,-0.1 12,-0.3 -0.728 56.0-113.1 -88.5 126.8 10.0 -21.9 15.2 54 90 A I E -I 48 0D 0 10,-2.2 8,-1.8 -2,-0.5 2,-0.3 -0.273 40.6-143.6 -54.3 132.3 7.8 -23.1 12.3 55 91 A I E -K 61 0E 2 -8,-2.4 27,-1.9 6,-0.2 -8,-0.3 -0.873 9.8-132.3-114.6 145.6 7.1 -26.9 12.6 56 92 A D > - 0 0 19 4,-2.2 3,-1.9 -2,-0.3 25,-0.1 -0.239 46.0 -95.1 -73.9 163.8 6.7 -29.9 10.3 57 93 A E T 3 S+ 0 0 74 23,-0.5 40,-0.3 1,-0.3 -1,-0.1 0.702 128.7 53.0 -61.8 -22.8 3.6 -32.2 10.8 58 94 A N T 3 S- 0 0 88 2,-0.1 -1,-0.3 40,-0.1 37,-0.0 0.323 125.5-104.4 -91.1 -0.2 5.7 -34.5 13.1 59 95 A G S < S+ 0 0 22 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.416 72.8 144.5 90.8 3.1 6.7 -31.5 15.2 60 96 A Q - 0 0 138 1,-0.1 -4,-2.2 -5,-0.1 -1,-0.3 -0.606 51.6-112.5 -82.6 129.8 10.2 -31.1 13.8 61 97 A T E -K 55 0E 67 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.137 15.2-154.3 -58.7 151.0 11.6 -27.6 13.4 62 98 A L E - 0 0 42 -8,-1.8 -1,-0.1 2,-0.4 -7,-0.1 0.189 41.9-108.0-115.7 16.7 12.3 -26.2 10.0 63 99 A G E S+ 0 0 71 -9,-0.2 2,-0.4 1,-0.2 -8,-0.1 0.447 90.7 100.3 72.4 3.9 15.1 -23.6 10.8 64 100 A V E - 0 0 12 -10,-0.3 -10,-2.2 10,-0.1 -2,-0.4 -0.971 51.9-170.2-121.3 133.9 12.7 -20.6 10.2 65 101 A N E -K 53 0E 72 -2,-0.4 9,-2.4 -12,-0.3 2,-0.3 -0.867 17.2-128.1-125.0 159.2 11.0 -18.7 13.1 66 102 A I B -L 73 0F 0 -14,-2.5 7,-0.2 -2,-0.3 6,-0.1 -0.806 25.4-118.5-104.2 141.6 8.2 -16.0 13.4 67 103 A D > - 0 0 58 5,-1.1 4,-2.3 -2,-0.3 -15,-0.0 -0.701 20.6-136.1 -79.1 128.4 8.6 -12.7 15.4 68 104 A P T 4 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -16,-0.0 0.852 99.9 27.1 -54.9 -38.5 6.1 -12.6 18.3 69 105 A Q T 4 S+ 0 0 175 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.645 132.5 32.5 -99.6 -19.7 5.1 -9.0 17.7 70 106 A T T 4 S- 0 0 91 2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.647 82.8-143.3-109.7 -22.0 5.7 -8.5 13.9 71 107 A F < + 0 0 24 -4,-2.3 2,-0.4 1,-0.3 35,-0.0 0.479 51.0 144.9 68.2 5.1 5.0 -12.0 12.5 72 108 A K - 0 0 109 -6,-0.1 -5,-1.1 -5,-0.0 -1,-0.3 -0.607 44.6-135.4 -73.3 123.3 7.9 -11.4 10.1 73 109 A L B -L 66 0F 2 -2,-0.4 -7,-0.2 -7,-0.2 1071,-0.1 -0.635 13.9-113.2 -91.7 148.8 9.7 -14.8 9.6 74 110 A S S S- 0 0 73 -9,-2.4 2,-0.2 -2,-0.2 -8,-0.1 0.721 84.0 -44.9 -41.0 -44.3 13.5 -15.6 9.5 75 111 A G S S+ 0 0 16 1,-0.2 1069,-0.1 -10,-0.2 -2,-0.1 -0.745 102.0 5.9-162.1-148.5 13.5 -16.5 5.8 76 112 A A S S- 0 0 13 -2,-0.2 -1,-0.2 1105,-0.2 1067,-0.1 -0.149 70.7-108.8 -56.3 138.6 11.6 -18.5 3.2 77 113 A X - 0 0 12 1065,-0.3 1106,-0.5 1103,-0.1 -1,-0.1 -0.570 44.8-118.6 -65.8 116.3 8.3 -20.2 4.1 78 114 A P > - 0 0 1 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.398 6.5-139.6 -68.4 140.2 9.2 -24.0 4.2 79 115 A A T 3 S+ 0 0 71 1104,-0.7 -2,-0.0 1,-0.3 1103,-0.0 0.809 105.6 51.9 -62.8 -32.4 7.4 -26.3 1.7 80 116 A T T 3 S+ 0 0 59 1103,-0.7 -23,-0.5 -18,-0.1 -1,-0.3 0.368 88.2 127.0 -85.4 0.6 7.1 -29.0 4.5 81 117 A A S < S- 0 0 5 -3,-1.3 2,-1.9 -25,-0.1 -25,-0.2 -0.170 72.7-110.0 -67.4 154.0 5.5 -26.5 7.0 82 118 A X + 0 0 5 -27,-1.9 -35,-1.2 -35,-0.3 2,-0.4 -0.548 66.0 141.4 -83.7 73.0 2.3 -27.0 8.9 83 119 A K E +G 46 0D 84 -2,-1.9 2,-0.3 -37,-0.2 -37,-0.2 -0.953 21.3 170.7-118.7 136.7 0.3 -24.4 7.0 84 120 A K E -G 45 0D 102 -39,-1.6 -39,-1.9 -2,-0.4 2,-0.4 -0.992 28.0-128.2-143.4 146.5 -3.4 -24.6 5.9 85 121 A L E -G 44 0D 92 -2,-0.3 -41,-0.2 -41,-0.2 7,-0.2 -0.809 33.3-112.0 -95.3 137.8 -5.9 -22.2 4.4 86 122 A T - 0 0 8 -43,-1.9 -44,-2.6 -2,-0.4 2,-0.2 -0.283 24.5-161.2 -67.4 151.5 -9.3 -21.8 6.1 87 123 A E > - 0 0 110 3,-0.3 3,-2.8 -46,-0.2 -44,-0.1 -0.608 51.4 -87.4-114.7 173.6 -12.5 -23.0 4.4 88 124 A A T 3 S+ 0 0 54 1,-0.3 -49,-0.1 -2,-0.2 3,-0.1 0.581 140.4 54.8 -65.6 0.5 -16.0 -21.6 5.6 89 125 A E T 3 S- 0 0 141 1,-0.3 -1,-0.3 -82,-0.0 2,-0.1 0.377 119.4-119.7-101.0 -13.2 -15.4 -24.7 8.0 90 126 A G < - 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