==== 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 08-DEC-05 2FB6 . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR J.OSIPIUK,R.MULLIGAN,J.ABDULLAH,F.COLLART,A.JOACHIMIAK,MIDWE . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 84.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 6.9 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 2 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 0 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 207 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-115.4 11.5 5.6 28.2 2 0 A A - 0 0 67 1,-0.1 3,-0.2 2,-0.1 0, 0.0 -0.194 360.0-158.2 -60.1 137.8 11.9 6.2 24.5 3 1 A X S S+ 0 0 189 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.567 87.5 29.5 -96.3 -8.3 12.6 9.8 23.6 4 2 A S S > S+ 0 0 61 1,-0.1 3,-2.0 2,-0.0 4,-0.3 0.047 72.9 134.1-135.2 28.0 11.4 9.8 20.0 5 3 A A T 3 S+ 0 0 78 1,-0.3 3,-0.2 -3,-0.2 -2,-0.1 0.708 82.9 31.7 -63.3 -22.3 8.6 7.2 19.9 6 4 A N T 3 S+ 0 0 107 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.105 102.6 82.7-118.5 24.6 6.1 9.2 17.9 7 5 A D S < S+ 0 0 49 -3,-2.0 33,-2.1 31,-0.1 32,-0.6 0.328 72.8 78.7-112.2 1.6 8.6 11.2 15.9 8 6 A K E -a 40 0A 61 -4,-0.3 104,-0.5 31,-0.2 2,-0.4 -0.957 49.6-169.8-120.8 134.1 9.5 8.9 13.0 9 7 A L E -ab 41 112A 7 31,-2.4 33,-2.3 -2,-0.4 2,-0.4 -0.973 6.9-163.0-115.4 135.8 7.7 8.0 9.8 10 8 A T E -ab 42 113A 0 102,-2.8 104,-2.4 -2,-0.4 2,-0.5 -0.942 0.8-162.9-113.3 135.5 8.7 5.2 7.5 11 9 A I E -ab 43 114A 2 31,-2.6 33,-3.0 -2,-0.4 2,-0.9 -0.984 9.1-154.0-116.6 121.9 7.5 4.9 3.9 12 10 A L E -ab 44 115A 30 102,-2.6 104,-2.8 -2,-0.5 2,-0.9 -0.855 19.0-161.3 -89.1 105.2 7.9 1.5 2.1 13 11 A W E +a 45 0A 1 31,-2.8 33,-2.1 -2,-0.9 36,-0.1 -0.806 35.0 141.5 -97.2 104.6 8.0 2.8 -1.5 14 12 A T + 0 0 52 102,-1.8 35,-1.6 -2,-0.9 34,-0.4 0.635 40.9 100.7-108.6 -25.6 7.3 -0.1 -3.9 15 13 A T - 0 0 32 101,-2.3 31,-0.1 33,-0.2 101,-0.1 -0.272 47.4-166.8 -72.1 148.2 5.2 1.7 -6.6 16 14 A D + 0 0 93 36,-0.1 2,-0.8 35,-0.0 -1,-0.1 0.162 50.5 125.6-110.5 18.4 6.4 2.9 -9.9 17 15 A N > - 0 0 73 1,-0.2 4,-2.5 2,-0.1 3,-0.2 -0.651 48.6-159.4 -75.6 109.6 3.3 5.0 -10.5 18 16 A K H > S+ 0 0 72 -2,-0.8 4,-2.8 1,-0.2 5,-0.4 0.876 87.2 58.1 -62.0 -37.3 4.7 8.5 -11.2 19 17 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.928 112.5 40.9 -58.9 -43.4 1.5 10.3 -10.3 20 18 A T H >>S+ 0 0 53 3,-0.2 5,-2.3 2,-0.2 4,-1.8 0.900 113.6 53.9 -72.2 -39.0 1.6 8.8 -6.8 21 19 A V H <>S+ 0 0 1 -4,-2.5 5,-2.9 3,-0.2 6,-0.3 0.943 119.3 31.6 -58.8 -49.4 5.3 9.2 -6.5 22 20 A F H <>S+ 0 0 44 -4,-2.8 5,-1.1 3,-0.2 -2,-0.2 0.965 127.1 37.4 -76.6 -48.2 5.3 12.9 -7.2 23 21 A N H <5S+ 0 0 104 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.2 0.606 132.5 15.0 -87.5 -14.4 1.9 14.0 -5.9 24 22 A X T X5S+ 0 0 79 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.661 127.0 37.6-117.9 -65.6 1.6 11.9 -2.8 25 23 A L H >S+ 0 0 0 -4,-2.6 5,-1.5 -5,-0.3 6,-1.3 0.905 114.5 41.8 -56.8 -46.5 6.7 16.8 6.5 33 31 A K H <5S+ 0 0 48 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.937 116.6 46.4 -68.9 -48.3 10.5 17.0 6.9 34 32 A N H <5S+ 0 0 106 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.838 118.5 41.2 -66.4 -31.3 10.8 20.7 6.0 35 33 A R H <5S- 0 0 159 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.514 110.3-116.4 -96.4 -8.0 7.9 21.8 8.3 36 34 A G T <5S+ 0 0 45 -4,-0.8 -3,-0.2 -3,-0.4 3,-0.2 0.657 72.7 133.8 83.2 17.9 8.8 19.5 11.2 37 35 A W S > S- 0 0 23 -2,-0.3 3,-1.8 1,-0.2 4,-0.6 -0.858 120.8 -7.1 111.1-148.6 10.2 -3.4 -5.7 48 46 A A H >> S+ 0 0 40 -34,-0.4 4,-1.7 -2,-0.3 3,-0.6 0.819 124.4 69.8 -57.9 -31.4 9.2 -1.7 -9.0 49 47 A S H 3> S+ 0 0 0 -35,-1.6 4,-2.7 -3,-0.2 -1,-0.3 0.771 87.4 63.7 -55.4 -31.4 10.3 1.6 -7.5 50 48 A V H <> S+ 0 0 0 -3,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.926 105.0 45.3 -64.9 -41.7 14.0 0.7 -7.7 51 49 A K H S+ 0 0 102 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.825 90.4 55.8 -64.6 -33.3 15.8 11.6 -14.2 58 56 A Q H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.911 109.3 47.3 -64.3 -41.2 12.7 13.5 -13.0 59 57 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.903 107.8 57.1 -63.8 -40.9 12.3 11.0 -10.1 60 58 A Q H X S+ 0 0 38 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 101.0 56.8 -57.6 -39.8 16.1 11.4 -9.4 61 59 A T H X S+ 0 0 92 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.919 108.2 47.1 -57.4 -43.1 15.6 15.2 -9.0 62 60 A E H X S+ 0 0 47 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.900 108.8 55.0 -63.4 -41.9 13.0 14.5 -6.3 63 61 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.922 108.3 48.9 -55.5 -46.7 15.4 11.9 -4.6 64 62 A L H X S+ 0 0 75 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.900 111.2 48.8 -63.7 -41.0 18.1 14.6 -4.4 65 63 A E H X S+ 0 0 89 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.907 111.5 50.3 -65.0 -41.3 15.8 17.2 -2.9 66 64 A X H X>S+ 0 0 1 -4,-2.7 5,-1.7 1,-0.2 4,-0.5 0.945 111.0 48.2 -63.5 -45.2 14.5 14.7 -0.4 67 65 A L H ><5S+ 0 0 46 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.898 108.7 54.5 -61.2 -38.6 18.1 13.7 0.6 68 66 A Q H 3<5S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.1 55.8 -64.2 -31.5 19.0 17.4 0.9 69 67 A S H 3<5S- 0 0 24 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.582 124.1-102.5 -77.9 -10.0 16.1 18.0 3.4 70 68 A G T <<5S+ 0 0 37 -3,-1.3 -29,-0.3 -4,-0.5 2,-0.2 0.487 73.1 142.8 99.3 3.2 17.4 15.2 5.7 71 69 A I < - 0 0 3 -5,-1.7 -1,-0.4 -31,-0.1 2,-0.3 -0.584 47.7-133.2 -66.2 135.4 15.0 12.4 4.7 72 70 A T E -c 42 0A 77 -31,-2.6 -29,-2.5 -2,-0.2 2,-0.4 -0.761 21.6-167.3 -92.7 145.0 17.0 9.2 4.8 73 71 A I E +c 43 0A 4 -2,-0.3 22,-2.5 20,-0.2 2,-0.3 -0.997 8.2 176.5-136.5 127.4 16.6 6.8 1.8 74 72 A E E -cd 44 95A 9 -31,-2.4 -29,-3.1 -2,-0.4 2,-0.4 -0.955 12.9-151.7-130.8 146.6 17.8 3.2 1.6 75 73 A A E -cd 45 96A 0 20,-3.1 22,-2.0 -2,-0.3 2,-0.3 -0.956 29.1-100.0-124.5 144.2 17.3 0.6 -1.2 76 74 A C E > - d 0 97A 2 -31,-2.4 4,-2.5 -2,-0.4 22,-0.2 -0.415 27.1-152.8 -58.7 117.3 17.0 -3.1 -1.2 77 75 A Q H > S+ 0 0 44 20,-2.1 4,-2.6 -2,-0.3 5,-0.2 0.842 94.8 56.2 -65.8 -35.3 20.5 -4.4 -2.2 78 76 A D H > S+ 0 0 79 19,-0.2 4,-3.1 2,-0.2 5,-0.2 0.946 110.4 45.4 -60.1 -47.6 19.0 -7.6 -3.6 79 77 A C H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.930 112.6 50.2 -58.8 -48.1 16.8 -5.5 -5.9 80 78 A C H X>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 6,-0.8 0.904 115.4 43.4 -57.5 -41.4 19.6 -3.2 -6.9 81 79 A E H <5S+ 0 0 97 -4,-2.6 3,-0.3 3,-0.2 -2,-0.2 0.903 114.4 49.1 -73.6 -40.0 21.8 -6.2 -7.7 82 80 A N H <5S+ 0 0 130 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.859 117.2 41.0 -67.0 -34.9 19.0 -8.1 -9.5 83 81 A F H <5S- 0 0 71 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.506 110.5-124.2 -87.4 -9.1 18.1 -5.1 -11.6 84 82 A G T <5S+ 0 0 59 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.831 79.0 110.6 71.0 37.1 21.8 -4.2 -12.1 85 83 A V >< + 0 0 10 -5,-2.7 4,-2.6 -6,-0.2 5,-0.2 0.217 25.4 115.4-127.6 12.6 21.5 -0.7 -10.8 86 84 A A H > S+ 0 0 30 -6,-0.8 4,-2.7 1,-0.2 5,-0.2 0.890 81.7 50.3 -54.5 -41.3 23.4 -0.6 -7.4 87 85 A S H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 111.7 47.9 -63.2 -43.7 26.0 1.8 -8.8 88 86 A I H > S+ 0 0 63 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.935 114.8 45.5 -61.3 -46.7 23.3 4.2 -10.1 89 87 A I H ><>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.2 3,-0.9 0.934 113.6 48.1 -67.0 -45.0 21.4 4.1 -6.8 90 88 A T H ><5S+ 0 0 75 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.883 107.0 58.2 -60.0 -41.1 24.5 4.5 -4.6 91 89 A N H 3<5S+ 0 0 134 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.712 98.6 59.4 -64.5 -22.5 25.7 7.5 -6.8 92 90 A L T <<5S- 0 0 21 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.552 124.1-104.3 -79.5 -9.7 22.4 9.3 -6.0 93 91 A G T < 5S+ 0 0 48 -3,-1.7 2,-0.3 1,-0.3 -20,-0.2 0.553 75.1 141.6 94.8 10.6 23.3 9.1 -2.3 94 92 A I < - 0 0 6 -5,-1.6 2,-0.5 -22,-0.1 -1,-0.3 -0.661 55.3-118.5 -83.6 139.4 20.9 6.3 -1.4 95 93 A T E -d 74 0A 81 -22,-2.5 -20,-3.1 -2,-0.3 2,-0.6 -0.672 26.2-157.7 -78.2 123.6 22.1 3.7 1.1 96 94 A V E +d 75 0A 30 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.917 31.5 136.0-106.2 121.6 22.1 0.3 -0.5 97 95 A R E -d 76 0A 101 -22,-2.0 -20,-2.1 -2,-0.6 2,-0.3 -0.982 63.4 -77.4-155.4 163.9 22.0 -2.6 1.9 98 96 A Y - 0 0 121 -2,-0.3 3,-0.2 -22,-0.2 -22,-0.1 -0.557 45.1-164.5 -68.9 124.6 20.3 -6.0 2.5 99 97 A X > + 0 0 1 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.446 61.0 90.1-100.4 -2.4 16.8 -4.9 3.7 100 98 A G H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 94.1 39.9 -63.3 -49.1 15.3 -8.1 5.3 101 99 A I H > S+ 0 0 126 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.951 115.8 50.9 -66.7 -51.2 16.6 -7.5 8.8 102 100 A P H > S+ 0 0 13 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.932 111.9 46.3 -52.5 -49.0 15.9 -3.7 8.8 103 101 A L H X S+ 0 0 29 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.925 112.3 51.2 -61.2 -43.2 12.3 -4.1 7.6 104 102 A T H X S+ 0 0 62 -4,-2.0 4,-3.0 -5,-0.3 -1,-0.2 0.943 111.5 47.9 -56.6 -47.3 11.7 -6.8 10.1 105 103 A E H X S+ 0 0 98 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.912 109.4 52.5 -62.0 -42.8 13.0 -4.6 12.9 106 104 A Y H <>S+ 0 0 25 -4,-2.8 5,-2.2 -5,-0.2 -1,-0.2 0.928 113.9 43.5 -59.3 -43.9 10.9 -1.6 11.8 107 105 A L H ><5S+ 0 0 107 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.933 113.3 50.6 -66.9 -45.1 7.8 -3.8 11.9 108 106 A K H 3<5S+ 0 0 161 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.816 106.0 57.0 -62.4 -32.8 8.7 -5.4 15.2 109 107 A N T 3<5S- 0 0 109 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.467 116.7-114.3 -78.4 -2.9 9.3 -2.0 16.7 110 108 A G T < 5 - 0 0 58 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.794 50.6-179.7 74.2 31.3 5.8 -0.9 15.9 111 109 A E < - 0 0 41 -5,-2.2 2,-0.8 -6,-0.2 -1,-0.1 -0.172 36.3-110.8 -59.8 154.1 6.9 1.8 13.4 112 110 A K E +b 9 0A 82 -104,-0.5 -102,-2.8 2,-0.0 2,-0.5 -0.838 47.7 179.7 -85.6 115.2 4.5 3.9 11.5 113 111 A I E -b 10 0A 41 -2,-0.8 2,-0.7 -104,-0.2 -102,-0.2 -0.980 23.7-160.5-127.4 117.4 4.8 2.6 8.0 114 112 A L E -b 11 0A 71 -104,-2.4 -102,-2.6 -2,-0.5 2,-0.8 -0.893 16.2-152.3 -91.7 119.6 3.0 3.8 4.9 115 113 A S E b 12 0A 92 -2,-0.7 -102,-0.2 -104,-0.2 -104,-0.1 -0.855 360.0 360.0 -98.2 107.1 3.3 1.0 2.3 116 114 A I 0 0 45 -104,-2.8 -101,-2.3 -2,-0.8 -102,-1.8 -0.707 360.0 360.0-122.0 360.0 3.0 2.7 -1.1