==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-DEC-02 1NE2 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TA1320; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR Y.KIM,A.JOACHIMIAK,A.EDWARDS,X.XU,D.CHRISTENDAT,MIDWEST . 360 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 12.8 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 . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 1 4 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 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 . 2 0 0 0 0 0 2 0 0 0 2 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 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 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 X 0 0 222 0, 0.0 4,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-174.1 31.5 25.2 48.7 2 2 A G > - 0 0 23 3,-0.1 4,-2.7 2,-0.1 5,-0.2 0.257 360.0-121.1 114.5 122.1 28.6 24.0 46.7 3 3 A I H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.904 115.2 50.1 -54.6 -44.3 28.2 23.1 43.0 4 4 A K H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 111.5 46.9 -62.6 -47.1 25.5 25.7 42.6 5 5 A N H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.926 111.6 51.0 -61.9 -46.2 27.6 28.5 44.2 6 6 A D H X S+ 0 0 75 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.907 113.2 44.7 -58.6 -44.9 30.7 27.6 42.2 7 7 A L H X S+ 0 0 9 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.915 109.3 57.5 -66.8 -42.1 28.7 27.7 38.9 8 8 A E H X S+ 0 0 47 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 106.3 47.7 -54.5 -49.0 27.0 30.9 39.9 9 9 A I H X S+ 0 0 81 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.904 112.3 50.4 -60.9 -40.1 30.2 32.8 40.3 10 10 A R H < S+ 0 0 152 -4,-1.6 4,-0.4 1,-0.2 3,-0.3 0.914 111.8 46.6 -63.3 -44.4 31.5 31.5 37.0 11 11 A L H >< S+ 0 0 5 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.803 106.6 59.0 -68.8 -30.0 28.3 32.6 35.2 12 12 A Q H 3< S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.826 97.6 60.1 -68.3 -32.2 28.4 36.0 36.8 13 13 A K T 3< S+ 0 0 172 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.679 83.7 110.8 -69.4 -16.8 31.8 36.7 35.4 14 14 A L S < S- 0 0 28 -3,-0.8 2,-0.3 -4,-0.4 66,-0.1 -0.275 79.0-108.4 -60.9 143.1 30.3 36.3 31.9 15 15 A Q - 0 0 71 64,-0.2 3,-0.2 1,-0.2 68,-0.1 -0.580 24.5-162.2 -76.4 130.2 30.0 39.4 29.8 16 16 A Q + 0 0 110 -2,-0.3 2,-1.3 1,-0.2 -1,-0.2 0.987 42.3 131.2 -72.8 -72.3 26.5 40.8 29.4 17 17 A Q 0 0 134 62,-0.1 -1,-0.2 35,-0.0 59,-0.1 -0.348 360.0 360.0 57.3 -90.3 26.8 43.1 26.4 18 18 A G 0 0 46 -2,-1.3 62,-0.1 57,-0.2 61,-0.1 -0.989 360.0 360.0-133.7 360.0 23.9 41.8 24.4 19 ! 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 20 27 A Y 0 0 122 0, 0.0 111,-0.1 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 124.4 14.5 40.5 32.3 21 28 A P - 0 0 86 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.333 360.0-107.9 -66.4 151.9 17.8 38.6 32.1 22 29 A T - 0 0 13 134,-0.1 136,-0.1 107,-0.1 32,-0.0 -0.741 39.3-124.2 -82.7 122.0 18.0 35.5 34.2 23 30 A D > - 0 0 31 -2,-0.6 4,-2.6 134,-0.2 5,-0.2 -0.203 21.2-107.6 -63.2 158.5 20.4 36.3 37.1 24 31 A A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.838 117.6 53.2 -56.2 -37.4 23.4 34.1 37.6 25 32 A S H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 112.5 41.2 -64.9 -51.6 21.9 32.5 40.8 26 33 A T H > S+ 0 0 10 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.899 115.0 52.9 -64.5 -40.1 18.6 31.5 39.2 27 34 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.928 110.4 47.0 -60.6 -46.8 20.5 30.3 36.0 28 35 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.922 113.8 48.5 -61.5 -43.1 22.8 28.1 38.1 29 36 A Y H X S+ 0 0 91 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.945 113.1 47.8 -60.5 -49.7 19.8 26.8 40.1 30 37 A F H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 3,-0.2 0.944 114.1 45.5 -56.8 -53.2 17.9 26.1 36.8 31 38 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.853 108.8 55.9 -62.7 -36.3 20.9 24.3 35.2 32 39 A I H X S+ 0 0 15 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.870 104.9 53.8 -65.4 -34.4 21.7 22.3 38.3 33 40 A E H X S+ 0 0 24 -4,-1.8 4,-1.6 -3,-0.2 -1,-0.2 0.942 110.9 45.3 -63.3 -45.8 18.2 20.9 38.3 34 41 A I H X>S+ 0 0 0 -4,-1.7 5,-2.4 1,-0.2 4,-0.6 0.904 112.5 52.3 -63.2 -40.5 18.6 19.8 34.6 35 42 A Y H ><5S+ 0 0 99 -4,-2.6 3,-1.1 1,-0.2 5,-0.3 0.922 110.1 47.2 -61.2 -45.6 22.0 18.4 35.5 36 43 A N H 3<5S+ 0 0 119 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.770 104.1 60.9 -69.0 -24.5 20.5 16.4 38.4 37 44 A D H 3<5S- 0 0 57 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.674 119.5-116.5 -71.7 -16.5 17.7 15.2 36.1 38 45 A G T <<5S+ 0 0 28 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.603 84.3 115.9 90.5 16.7 20.7 13.7 34.1 39 46 A N S S+ 0 0 0 -5,-0.3 3,-2.3 -6,-0.3 25,-0.6 0.618 89.9 80.8-122.0 -63.1 23.2 18.0 30.8 41 48 A G B 3 S-A 64 0A 22 1,-0.3 23,-0.3 23,-0.2 -1,-0.1 -0.278 115.5 -3.7 -54.5 122.8 26.3 15.9 31.7 42 49 A G T 3 S+ 0 0 16 21,-2.5 -1,-0.3 1,-0.2 2,-0.3 0.681 112.3 117.4 68.3 18.3 27.4 13.8 28.8 43 50 A R S < S- 0 0 75 -3,-2.3 23,-2.0 231,-0.1 22,-1.3 -0.738 71.6-114.3-115.9 163.0 24.5 15.0 26.7 44 51 A S E -b 66 0B 1 -2,-0.3 59,-2.1 21,-0.2 58,-1.1 -0.873 42.8-170.3 -95.2 121.4 24.0 17.0 23.5 45 52 A V E -bc 67 103B 0 21,-3.5 23,-2.6 -2,-0.6 2,-0.4 -0.869 17.7-162.3-118.5 145.8 22.3 20.3 24.5 46 53 A I E -bc 68 104B 0 57,-2.7 59,-2.7 -2,-0.3 2,-0.6 -0.995 6.1-158.7-127.4 127.3 20.8 23.1 22.5 47 54 A D E > -bc 69 105B 4 21,-2.8 23,-1.9 -2,-0.4 3,-0.6 -0.925 14.1-151.6-106.8 114.1 20.1 26.5 24.0 48 55 A A E 3 S+bc 70 106B 2 57,-2.8 59,-0.6 -2,-0.6 23,-0.1 -0.745 76.8 7.5 -91.1 130.9 17.5 28.5 22.1 49 56 A G T 3 S+ 0 0 33 21,-1.4 -1,-0.3 -2,-0.4 22,-0.2 0.953 80.8 179.8 64.6 50.3 17.6 32.3 22.1 50 57 A T X - 0 0 8 20,-2.3 3,-2.5 -3,-0.6 4,-0.4 0.656 0.9-179.3 -61.1 -23.0 20.9 32.1 23.9 51 58 A G T 3 S- 0 0 20 1,-0.3 29,-0.3 19,-0.2 -1,-0.2 -0.339 76.8 -1.0 57.7-128.0 21.5 35.8 24.2 52 59 A N T 3 S- 0 0 17 27,-0.1 -1,-0.3 1,-0.1 31,-0.2 0.496 107.4-112.0 -73.4 0.3 24.9 36.4 26.0 53 60 A G <> + 0 0 0 -3,-2.5 4,-3.4 -4,-0.1 5,-0.3 0.571 68.9 144.7 83.5 12.2 25.0 32.6 26.2 54 61 A I H > S+ 0 0 21 -4,-0.4 4,-2.2 1,-0.2 5,-0.1 0.893 75.1 41.6 -50.5 -50.1 24.7 32.2 30.0 55 62 A L H > S+ 0 0 5 -5,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.837 117.2 49.1 -70.3 -30.2 22.7 29.0 29.9 56 63 A A H > S+ 0 0 0 -3,-0.2 4,-2.0 -6,-0.2 -2,-0.2 0.924 112.6 46.3 -72.5 -47.2 24.8 27.5 27.1 57 64 A a H X S+ 0 0 1 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.889 112.3 53.0 -61.9 -37.5 28.1 28.4 28.8 58 65 A G H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.899 106.9 50.5 -65.0 -40.9 26.6 26.9 32.0 59 66 A S H <>S+ 0 0 0 -4,-1.8 5,-1.8 2,-0.2 -1,-0.2 0.882 111.3 49.6 -63.6 -38.2 25.7 23.7 30.3 60 67 A Y H ><5S+ 0 0 106 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.922 108.4 52.1 -66.1 -44.5 29.3 23.5 29.0 61 68 A L H 3<5S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.737 104.4 58.9 -65.0 -21.4 30.7 24.1 32.4 62 69 A L T 3<5S- 0 0 15 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.214 126.1 -97.5 -92.8 14.7 28.5 21.2 33.7 63 70 A G T < 5 + 0 0 45 -3,-1.8 -21,-2.5 1,-0.2 -3,-0.2 0.746 55.6 175.4 82.0 25.2 30.1 18.7 31.4 64 71 A A B < -A 41 0A 11 -5,-1.8 -23,-0.2 -23,-0.3 -1,-0.2 -0.330 32.9-135.5 -60.7 145.0 27.7 18.6 28.4 65 72 A E S S+ 0 0 18 -22,-1.3 2,-0.3 -25,-0.6 -21,-0.2 0.895 87.8 2.7 -70.3 -36.6 29.1 16.4 25.7 66 73 A S E -b 44 0B 4 -23,-2.0 -21,-3.5 177,-0.1 2,-0.4 -0.987 65.9-163.6-151.1 137.7 28.1 19.0 23.1 67 74 A V E +b 45 0B 5 19,-0.3 21,-2.9 -2,-0.3 2,-0.4 -0.989 7.8 178.2-128.8 128.7 26.5 22.4 23.3 68 75 A T E +bd 46 88B 0 -23,-2.6 -21,-2.8 -2,-0.4 2,-0.3 -0.956 7.5 177.6-123.2 143.5 24.8 24.3 20.5 69 76 A A E -bd 47 89B 0 19,-2.3 21,-2.2 -2,-0.4 2,-0.3 -0.992 5.2-171.0-150.9 139.3 23.2 27.7 21.0 70 77 A F E +bd 48 90B 2 -23,-1.9 -20,-2.3 -2,-0.3 -21,-1.4 -0.939 8.9 171.3-134.1 156.3 21.5 30.1 18.6 71 78 A D E - d 0 91B 26 19,-1.4 21,-2.0 -2,-0.3 6,-0.1 -0.965 36.0-130.3-155.6 151.8 20.1 33.7 18.7 72 79 A I S S+ 0 0 115 -2,-0.3 21,-0.1 19,-0.2 19,-0.1 0.636 87.6 88.4 -82.0 -12.7 18.9 36.0 15.9 73 80 A D >> - 0 0 68 1,-0.2 4,-2.0 19,-0.1 3,-0.6 -0.765 62.4-160.8 -92.8 110.0 21.1 38.8 17.2 74 81 A P H 3> S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.832 92.2 53.3 -55.4 -37.0 24.6 38.7 15.6 75 82 A D H 3> S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -57,-0.2 0.849 106.3 52.1 -70.0 -33.3 26.1 40.9 18.4 76 83 A A H <> S+ 0 0 2 -3,-0.6 4,-3.0 1,-0.2 -1,-0.2 0.939 109.5 50.0 -66.6 -45.2 24.8 38.6 21.1 77 84 A I H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.881 108.2 52.8 -61.1 -37.9 26.4 35.6 19.4 78 85 A E H X S+ 0 0 109 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.906 112.9 43.9 -64.9 -40.4 29.7 37.5 19.1 79 86 A T H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.898 112.4 53.6 -69.3 -41.4 29.6 38.2 22.9 80 87 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 -29,-0.3 -2,-0.2 0.922 104.0 54.9 -59.2 -46.1 28.5 34.7 23.6 81 88 A K H < S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.838 109.5 48.0 -57.3 -35.4 31.5 33.2 21.6 82 89 A R H < S+ 0 0 151 -4,-1.1 3,-0.4 -3,-0.2 -1,-0.2 0.885 106.9 57.2 -72.6 -38.7 33.8 35.3 23.8 83 90 A N H < S- 0 0 30 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.863 132.3 -3.7 -60.6 -38.4 32.1 34.1 27.0 84 91 A a >< - 0 0 19 -4,-1.9 3,-1.4 -5,-0.1 -1,-0.3 -0.639 58.3-173.0-161.0 96.7 32.7 30.5 26.2 85 92 A G T 3 S+ 0 0 68 -3,-0.4 4,-0.1 1,-0.3 -4,-0.1 0.559 78.8 76.7 -68.9 -8.5 34.3 29.3 23.0 86 93 A G T 3 S+ 0 0 29 2,-0.1 -19,-0.3 177,-0.0 2,-0.3 0.597 81.7 86.3 -77.8 -9.6 33.7 25.7 23.6 87 94 A V S < S- 0 0 11 -3,-1.4 2,-1.5 -7,-0.1 -19,-0.2 -0.676 84.3-123.3 -93.5 144.9 30.1 26.1 22.6 88 95 A N E -d 68 0B 28 -21,-2.9 -19,-2.3 -2,-0.3 2,-0.3 -0.683 40.8-177.0 -87.7 85.2 28.8 25.9 19.1 89 96 A F E +d 69 0B 12 -2,-1.5 2,-0.3 -21,-0.2 -19,-0.2 -0.660 4.3 173.2 -86.9 141.0 27.2 29.4 18.9 90 97 A X E -d 70 0B 41 -21,-2.2 -19,-1.4 -2,-0.3 2,-0.5 -0.999 34.5-121.1-150.6 147.3 25.4 30.4 15.7 91 98 A V E +d 71 0B 77 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.751 56.5 131.6 -85.3 130.1 23.2 33.2 14.4 92 99 A A - 0 0 12 -21,-2.0 2,-0.3 -2,-0.5 -19,-0.1 -0.943 56.5-113.5-175.8 154.8 19.8 31.9 13.4 93 100 A D > - 0 0 68 -2,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.717 40.9-115.7 -90.7 146.4 16.1 32.1 13.4 94 101 A V G > S+ 0 0 8 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.825 113.4 66.0 -53.3 -32.7 14.4 29.2 15.3 95 102 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.0 20,-0.0 0.696 95.4 58.0 -63.4 -19.7 12.7 28.2 12.0 96 103 A E G < S+ 0 0 123 -3,-2.2 -1,-0.3 2,-0.0 2,-0.2 0.581 82.2 102.8 -87.3 -11.5 16.1 27.3 10.6 97 104 A I < + 0 0 2 -3,-1.5 121,-0.1 -4,-0.4 -5,-0.0 -0.499 31.6 150.3 -73.4 138.2 17.0 24.8 13.3 98 105 A S + 0 0 33 119,-0.2 121,-0.1 -2,-0.2 -1,-0.1 0.413 30.9 109.6-148.2 -2.7 16.7 21.1 12.3 99 106 A G - 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