==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-SEP-06 2IFA . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN SMU.260; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR F.FOROUHAR,Y.CHEN,R.XIAO,L.C.MA,T.BYLER,T.B.ACTON,G.T.MONTEL . 1202 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 902 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 78 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 460 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.5 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 1 1 2 14 3 5 5 0 3 4 3 2 0 0 0 0 0 0 3 0 1 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 6 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 . 6 7 5 0 0 0 6 6 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 . 1 0 0 0 0 5 1 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 2 A S 0 0 154 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.8 18.6 13.8 55.6 2 3 A N > - 0 0 69 1,-0.0 4,-1.3 0, 0.0 3,-0.4 -0.632 360.0 -81.6-127.0-172.9 17.3 15.5 52.4 3 4 A F H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.829 122.0 62.6 -60.6 -34.9 16.0 18.9 51.2 4 5 A L H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 101.1 53.0 -58.7 -42.5 12.6 18.4 52.7 5 6 A D H > S+ 0 0 72 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.910 109.9 47.2 -59.3 -43.8 14.2 18.2 56.2 6 7 A L H X S+ 0 0 20 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.901 109.9 54.1 -65.7 -39.0 16.0 21.5 55.6 7 8 A Q H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 110.7 45.6 -61.4 -41.4 12.7 23.0 54.3 8 9 A K H < S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.851 109.6 55.7 -69.6 -35.0 10.9 22.0 57.5 9 10 A Q H < S+ 0 0 100 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.904 90.4 86.9 -64.0 -41.5 13.8 23.3 59.6 10 11 A R < + 0 0 8 -4,-2.1 2,-0.3 -5,-0.1 125,-0.1 -0.450 56.2 150.6 -65.8 121.8 13.6 26.8 58.0 11 12 A R - 0 0 65 -2,-0.3 2,-0.6 123,-0.1 133,-0.5 -0.882 53.7 -85.5-143.4 170.3 11.1 29.0 59.8 12 13 A S - 0 0 38 -2,-0.3 2,-0.6 131,-0.1 133,-0.2 -0.773 44.2-161.7 -84.7 122.1 10.5 32.7 60.5 13 14 A I + 0 0 11 131,-2.4 3,-0.1 -2,-0.6 169,-0.0 -0.924 22.6 169.8-110.9 115.3 12.5 33.7 63.6 14 15 A Y + 0 0 116 -2,-0.6 2,-0.8 166,-0.2 -1,-0.1 0.506 67.9 72.2 -99.0 -7.5 11.7 36.9 65.4 15 16 A A + 0 0 33 165,-0.4 164,-3.0 129,-0.1 165,-0.8 -0.846 69.7 167.2-111.3 91.9 13.8 36.2 68.5 16 17 A L E -A 178 0A 13 -2,-0.8 2,-0.2 71,-0.4 162,-0.2 -0.704 13.0-177.6-108.1 159.9 17.4 36.7 67.3 17 18 A G E -A 177 0A 7 160,-1.6 160,-1.2 -2,-0.3 75,-0.3 -0.661 35.6-110.7-137.7-167.6 20.7 37.0 69.1 18 19 A K S S+ 0 0 67 -2,-0.2 2,-2.0 158,-0.2 384,-0.1 0.435 76.5 109.2-114.5 2.3 24.3 37.6 68.4 19 20 A T + 0 0 107 2,-0.1 2,-0.3 158,-0.0 159,-0.1 -0.424 41.3 147.0 -82.4 70.0 25.8 34.2 69.3 20 21 A V - 0 0 35 -2,-2.0 157,-0.1 2,-0.1 121,-0.1 -0.738 44.6-144.9-101.4 152.2 26.7 32.9 65.9 21 22 A D S S+ 0 0 131 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.191 71.3 88.5-102.1 16.8 29.8 30.6 65.3 22 23 A L S S- 0 0 25 1,-0.0 -2,-0.1 2,-0.0 2,-0.0 -0.871 70.1-128.3-114.6 149.1 30.7 32.0 61.9 23 24 A S > - 0 0 52 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.227 32.4 -99.3 -83.7 179.6 33.0 35.0 61.1 24 25 A K H > S+ 0 0 64 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.912 123.5 52.4 -65.5 -44.6 32.3 38.0 58.8 25 26 A A H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 112.9 44.6 -59.7 -40.1 34.1 36.4 55.9 26 27 A E H > S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.827 114.3 48.9 -74.5 -32.8 32.1 33.2 56.2 27 28 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.927 113.0 47.7 -71.6 -45.2 28.8 35.0 56.6 28 29 A V H X S+ 0 0 22 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.939 113.8 45.7 -61.2 -48.7 29.5 37.2 53.6 29 30 A A H X S+ 0 0 41 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.878 111.7 53.3 -63.9 -35.3 30.6 34.3 51.4 30 31 A L H X S+ 0 0 29 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.921 114.0 41.5 -63.8 -46.8 27.6 32.3 52.5 31 32 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.968 117.1 45.4 -66.4 -56.5 25.1 35.0 51.6 32 33 A Q H X S+ 0 0 35 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.884 114.4 48.2 -57.5 -41.9 26.7 36.1 48.4 33 34 A N H X S+ 0 0 59 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.900 108.5 54.5 -67.2 -38.3 27.1 32.6 47.1 34 35 A A H < S+ 0 0 0 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.2 0.879 114.4 41.7 -60.9 -37.7 23.5 31.7 48.0 35 36 A I H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.859 110.1 56.4 -79.0 -36.4 22.4 34.7 45.9 36 37 A K H 3< S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.839 109.3 46.9 -63.6 -32.7 24.8 34.0 43.1 37 38 A Q T 3< S+ 0 0 13 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.523 85.6 104.1 -87.9 -9.3 23.5 30.5 42.6 38 39 A A S < S- 0 0 8 -3,-0.7 91,-0.1 -4,-0.3 7,-0.1 -0.667 77.7-120.4 -76.4 121.4 19.8 31.6 42.7 39 40 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 89,-0.1 -0.133 28.7-168.6 -60.9 156.3 18.6 31.5 39.1 40 41 A S > - 0 0 21 88,-0.1 3,-2.9 5,-0.0 82,-0.1 -0.988 37.5 -80.4-148.0 146.0 17.2 34.5 37.2 41 42 A A G > S- 0 0 29 80,-0.4 3,-2.3 -2,-0.3 4,-0.2 -0.199 116.1 -6.6 -48.3 129.8 15.3 34.9 33.9 42 43 A F G 3 S- 0 0 45 1,-0.3 -1,-0.3 2,-0.1 874,-0.1 0.666 119.0 -79.0 53.7 18.7 17.8 34.8 31.0 43 44 A N G < S+ 0 0 54 -3,-2.9 -1,-0.3 1,-0.1 -2,-0.2 0.889 86.2 153.6 57.1 38.5 20.5 34.8 33.6 44 45 A S < - 0 0 27 -3,-2.3 -2,-0.1 1,-0.0 -1,-0.1 0.729 37.0-153.8 -70.3 -25.2 19.9 38.5 33.9 45 46 A Q + 0 0 18 -4,-0.2 -3,-0.0 1,-0.1 55,-0.0 0.926 29.3 164.3 50.8 56.3 21.1 38.5 37.5 46 47 A T + 0 0 2 -5,-0.1 54,-3.1 53,-0.1 2,-0.3 0.452 35.2 117.6 -83.3 0.2 19.1 41.5 38.6 47 48 A S E +B 99 0A 9 52,-0.2 2,-0.3 -12,-0.1 52,-0.2 -0.540 38.9 175.4 -73.2 124.8 19.7 40.6 42.2 48 49 A R E -B 98 0A 10 50,-2.7 50,-3.2 -2,-0.3 2,-0.4 -0.959 7.2-166.6-128.8 147.6 21.6 43.1 44.3 49 50 A A E -Bc 97 395A 0 345,-1.8 347,-1.3 -2,-0.3 2,-0.5 -0.993 18.3-159.6-146.3 144.2 22.4 43.0 48.1 50 51 A L E -Bc 96 396A 0 46,-3.0 46,-3.3 -2,-0.4 2,-0.5 -0.972 14.4-164.2-116.4 124.3 23.6 45.1 51.0 51 52 A V E -Bc 95 397A 0 345,-2.5 347,-2.2 -2,-0.5 2,-0.3 -0.961 7.8-167.2-114.9 119.8 24.9 43.2 54.0 52 53 A L E -Bc 94 398A 0 42,-2.9 42,-1.7 -2,-0.5 2,-0.3 -0.830 5.6-177.1-109.1 144.2 25.3 45.2 57.2 53 54 A F E >> -B 93 0A 0 345,-2.5 4,-1.1 -2,-0.3 3,-1.0 -0.861 47.6 -10.4-132.2 167.8 27.2 44.2 60.4 54 55 A G H 3> S- 0 0 15 38,-0.7 4,-2.0 -2,-0.3 5,-0.2 -0.076 128.8 -4.2 47.2-134.2 27.8 45.7 63.9 55 56 A Q H 3> S+ 0 0 134 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.880 133.0 61.1 -56.8 -41.0 26.7 49.3 64.4 56 57 A D H <> S+ 0 0 41 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.946 106.8 44.1 -51.4 -54.8 25.7 49.6 60.7 57 58 A S H X S+ 0 0 1 -4,-1.1 4,-1.2 1,-0.2 3,-0.2 0.933 117.0 45.6 -55.3 -51.5 23.1 46.8 61.0 58 59 A Q H X S+ 0 0 48 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.816 110.6 53.4 -63.2 -36.0 21.8 48.1 64.3 59 60 A D H X>S+ 0 0 42 -4,-3.1 5,-2.1 2,-0.2 4,-2.1 0.812 99.5 62.9 -70.3 -31.6 21.7 51.7 63.1 60 61 A F H <>S+ 0 0 0 -4,-1.8 5,-3.1 -5,-0.3 6,-0.3 0.922 117.4 29.3 -58.3 -43.3 19.6 50.7 60.0 61 62 A W H <>S+ 0 0 0 -4,-1.2 5,-0.8 3,-0.2 -2,-0.2 0.931 127.5 39.5 -83.0 -51.1 16.9 49.6 62.4 62 63 A N H <5S+ 0 0 33 -4,-3.2 -3,-0.2 3,-0.2 -2,-0.2 0.585 133.7 19.3 -78.5 -10.1 17.3 51.9 65.4 63 64 A K T X5S+ 0 0 130 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.679 129.1 34.0-121.0 -62.9 18.2 55.0 63.3 64 65 A I H >< S+ 0 0 30 -4,-1.8 3,-0.8 -5,-0.3 4,-0.3 0.916 109.6 50.5 -71.4 -43.6 11.0 57.1 59.4 69 70 A L H >X S+ 0 0 20 -4,-2.5 4,-1.7 1,-0.2 3,-1.2 0.814 103.0 58.6 -66.3 -31.7 8.5 55.2 61.4 70 71 A E H 3< S+ 0 0 106 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.740 98.9 61.4 -71.2 -18.6 8.0 57.9 64.0 71 72 A K T << S+ 0 0 139 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.578 120.2 23.9 -81.2 -9.4 7.0 60.2 61.3 72 73 A V T <4 S+ 0 0 92 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.456 105.4 88.9-132.1 -5.5 4.0 58.0 60.4 73 74 A T S < S- 0 0 29 -4,-1.7 5,-0.1 -5,-0.1 4,-0.0 -0.783 81.0-105.3-102.1 139.7 3.3 56.0 63.6 74 75 A P >> - 0 0 89 0, 0.0 3,-2.2 0, 0.0 4,-1.4 -0.310 26.4-124.3 -60.1 140.7 1.0 57.2 66.5 75 76 A A H >> S+ 0 0 95 1,-0.3 4,-0.6 2,-0.2 3,-0.6 0.898 112.6 53.3 -52.4 -46.7 2.8 58.4 69.6 76 77 A E H 34 S+ 0 0 180 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.496 115.0 43.4 -70.4 -1.5 1.0 55.9 71.8 77 78 A A H X> S+ 0 0 40 -3,-2.2 4,-1.0 2,-0.1 3,-0.6 0.543 89.9 82.5-117.7 -13.7 2.2 53.2 69.4 78 79 A F H S+ 0 0 52 -3,-0.6 4,-1.5 1,-0.2 -1,-0.3 0.788 112.2 51.1 -70.6 -26.9 6.0 49.1 70.6 81 82 A T H X S+ 0 0 28 -4,-1.0 4,-3.2 -3,-0.4 5,-0.2 0.908 106.1 53.0 -75.8 -43.7 7.8 50.0 67.4 82 83 A K H X S+ 0 0 96 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.915 111.3 47.6 -57.2 -44.2 11.0 51.0 69.1 83 84 A A H X S+ 0 0 49 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.901 111.4 50.7 -64.2 -40.9 11.0 47.6 70.9 84 85 A K H X S+ 0 0 86 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.944 109.3 50.1 -63.8 -45.7 10.3 45.8 67.7 85 86 A L H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.889 108.6 54.3 -60.3 -36.1 13.2 47.6 65.9 86 87 A E H X S+ 0 0 83 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.906 101.5 57.7 -63.9 -40.2 15.4 46.7 68.8 87 88 A S H < S+ 0 0 35 -4,-2.0 -71,-0.4 1,-0.2 -1,-0.2 0.880 109.1 45.6 -59.1 -38.1 14.6 43.0 68.4 88 89 A F H >< S+ 0 0 2 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.854 111.7 51.8 -72.5 -35.8 15.8 43.1 64.8 89 90 A A H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.672 93.2 75.6 -74.6 -15.4 18.9 45.0 65.8 90 91 A A T 3< S+ 0 0 39 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.569 84.9 86.0 -71.7 -7.8 19.6 42.3 68.4 91 92 A G S < S- 0 0 1 -3,-1.2 85,-0.3 85,-0.1 -73,-0.2 -0.052 94.3-102.0 -82.2-169.7 20.7 40.0 65.6 92 93 A V S S- 0 0 14 83,-2.0 -38,-0.7 -75,-0.3 2,-0.3 0.846 87.3 -29.9 -81.4 -39.4 24.1 39.7 64.0 93 94 A G E -BD 53 175A 0 82,-2.2 82,-2.7 -40,-0.2 2,-0.4 -0.935 52.8-111.3-162.8-173.8 23.3 41.6 60.8 94 95 A T E -BD 52 174A 0 -42,-1.7 -42,-2.9 -2,-0.3 2,-0.5 -0.998 15.8-155.0-138.9 135.1 20.9 42.8 58.2 95 96 A I E -BD 51 173A 0 78,-3.2 78,-4.2 -2,-0.4 2,-0.5 -0.939 5.4-162.5-111.8 130.4 20.6 41.9 54.5 96 97 A L E -BD 50 172A 0 -46,-3.3 -46,-3.0 -2,-0.5 2,-0.4 -0.970 9.5-156.6-114.3 121.4 18.9 44.3 52.1 97 98 A L E +BD 49 171A 1 74,-2.4 73,-2.8 -2,-0.5 74,-1.3 -0.800 14.6 178.1 -98.6 138.7 17.8 42.8 48.8 98 99 A F E -BD 48 169A 5 -50,-3.2 -50,-2.7 -2,-0.4 2,-0.4 -0.894 24.0-138.9-134.9 163.3 17.4 44.9 45.7 99 100 A E E -BD 47 168A 1 69,-1.8 69,-2.1 -2,-0.3 2,-0.8 -0.995 28.2-122.8-126.6 122.6 16.5 44.4 42.1 100 101 A D E >> - 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