==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-AUG-03 1Q77 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN AQ_178; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.OSIPIUK,M.ZHOU,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST . 276 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 80.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 38 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 2 1 1 1 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.6 36.3 37.5 30.2 2 -1 A N + 0 0 175 2,-0.1 2,-0.5 31,-0.0 3,-0.0 0.216 360.0 139.5 -93.0 12.2 35.8 33.8 29.1 3 0 A A - 0 0 36 1,-0.1 2,-0.4 30,-0.1 30,-0.2 -0.462 62.5-121.6 -62.3 109.9 32.1 34.4 28.8 4 1 A X - 0 0 29 -2,-0.5 30,-1.7 27,-0.3 2,-0.8 -0.400 27.7-137.1 -54.9 110.7 31.1 32.5 25.7 5 2 A K E -a 34 0A 57 -2,-0.4 106,-1.9 104,-0.3 107,-1.5 -0.669 30.0-179.3 -81.2 110.1 29.6 35.3 23.6 6 3 A V E -ab 35 112A 0 28,-1.5 30,-2.3 -2,-0.8 2,-0.4 -0.871 16.5-157.7-115.7 144.9 26.4 34.1 21.9 7 4 A L E -ab 36 113A 0 105,-2.0 107,-3.1 -2,-0.4 2,-0.6 -0.971 6.0-153.4-122.7 129.7 24.0 35.8 19.6 8 5 A L E -ab 37 114A 0 28,-2.9 30,-3.3 -2,-0.4 2,-0.6 -0.892 14.6-156.8 -99.9 120.4 20.4 34.7 19.1 9 6 A V E -ab 38 115A 2 105,-2.8 107,-2.1 -2,-0.6 2,-0.3 -0.885 13.8-176.9-103.3 122.1 19.1 35.7 15.6 10 7 A L E -a 39 0A 6 28,-3.3 30,-3.5 -2,-0.6 2,-0.4 -0.839 15.1-150.5-117.0 155.9 15.4 36.1 15.2 11 8 A T E -a 40 0A 1 3,-0.3 3,-0.4 -2,-0.3 30,-0.2 -0.935 19.1-137.1-120.7 144.3 13.2 36.8 12.2 12 9 A D S > S+ 0 0 8 28,-1.6 3,-0.6 -2,-0.4 29,-0.1 0.738 108.9 57.1 -72.5 -18.2 9.9 38.6 12.4 13 10 A A T 3 S+ 0 0 35 27,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.721 116.7 31.1 -81.9 -24.3 8.7 36.0 9.9 14 11 A Y T 3 S+ 0 0 93 -3,-0.4 -3,-0.3 1,-0.1 -1,-0.2 -0.366 73.1 139.3-129.1 51.1 9.7 33.1 12.1 15 12 A S < + 0 0 9 -3,-0.6 2,-1.3 1,-0.2 -1,-0.1 0.660 54.3 81.8 -71.3 -15.4 9.1 34.5 15.5 16 13 A D + 0 0 117 -3,-0.1 2,-0.2 101,-0.1 -1,-0.2 -0.674 54.4 125.1 -94.9 86.1 7.5 31.3 16.8 17 14 A a > + 0 0 4 -2,-1.3 4,-1.9 1,-0.1 3,-0.2 -0.653 21.1 164.9-142.4 79.4 10.6 29.2 17.6 18 15 A E H > S+ 0 0 84 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 75.4 61.0 -63.9 -42.2 10.6 28.0 21.1 19 16 A K H > S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 108.5 42.9 -53.7 -41.8 13.3 25.4 20.5 20 17 A A H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.952 113.3 49.6 -71.1 -50.1 15.8 28.1 19.6 21 18 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.890 110.7 53.7 -56.1 -37.2 14.9 30.5 22.3 22 19 A T H X S+ 0 0 32 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.946 104.8 52.0 -62.7 -49.8 15.2 27.6 24.7 23 20 A Y H X S+ 0 0 16 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.933 111.0 49.8 -50.9 -48.7 18.8 26.7 23.6 24 21 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.5 0.937 109.3 49.3 -56.6 -52.4 19.7 30.3 24.1 25 22 A V H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.910 110.4 52.2 -55.7 -43.3 18.3 30.5 27.7 26 23 A N H <>S+ 0 0 39 -4,-2.7 5,-0.7 2,-0.2 4,-0.4 0.804 110.3 47.4 -65.7 -28.8 20.1 27.2 28.5 27 24 A F H X5S+ 0 0 1 -4,-1.6 6,-2.1 -3,-0.5 4,-0.8 0.916 113.4 48.8 -75.0 -43.3 23.4 28.6 27.3 28 25 A S H <5S+ 0 0 32 -4,-2.7 4,-0.2 4,-0.2 -2,-0.2 0.930 126.3 26.4 -58.7 -49.9 22.8 31.8 29.3 29 26 A E T ><5S+ 0 0 104 -4,-3.0 3,-1.3 -5,-0.2 -3,-0.2 0.974 131.1 30.4 -76.8 -81.4 21.9 30.0 32.5 30 27 A K T 345S+ 0 0 113 -4,-0.4 -3,-0.2 1,-0.3 -2,-0.1 0.657 132.3 34.5 -57.4 -22.8 23.5 26.6 32.5 31 28 A L T 3< + 0 0 0 52,-2.6 4,-1.6 -2,-0.6 5,-0.1 -0.505 32.9 159.7 -88.4 69.6 12.6 42.3 10.5 42 39 A E H > S+ 0 0 33 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.822 71.4 52.1 -60.7 -35.4 12.7 40.8 7.0 43 40 A D H > S+ 0 0 73 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.921 109.4 48.8 -68.7 -42.1 9.0 41.0 6.4 44 41 A V H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.811 109.9 55.2 -64.8 -29.6 8.9 44.7 7.3 45 42 A Y H X S+ 0 0 62 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.935 104.5 51.3 -68.6 -45.2 11.9 45.0 4.9 46 43 A N H X S+ 0 0 73 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.764 106.2 56.6 -63.4 -25.0 9.9 43.4 2.1 47 44 A L H X S+ 0 0 63 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.940 105.1 50.6 -69.6 -46.2 7.1 45.9 2.7 48 45 A E H X S+ 0 0 77 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.878 112.9 47.1 -56.7 -41.1 9.6 48.8 2.2 49 46 A R H X S+ 0 0 123 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.842 109.1 50.8 -72.4 -35.5 10.7 47.2 -1.0 50 47 A A H X>S+ 0 0 24 -4,-1.9 4,-3.1 2,-0.2 6,-1.1 0.843 108.6 57.5 -69.0 -29.2 7.2 46.6 -2.3 51 48 A N H X5S+ 0 0 64 -4,-2.1 4,-2.1 4,-0.3 -2,-0.2 0.963 110.0 40.3 -62.1 -54.6 6.6 50.2 -1.4 52 49 A V H <5S+ 0 0 125 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.919 121.1 44.9 -60.8 -44.7 9.4 51.4 -3.7 53 50 A T H <5S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.913 135.5 9.3 -69.2 -46.6 8.5 48.9 -6.4 54 51 A F H <5S- 0 0 163 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.445 98.4-113.0-115.5 -3.0 4.7 49.4 -6.6 55 52 A G << + 0 0 50 -4,-2.1 -4,-0.3 -5,-0.6 -3,-0.2 0.813 53.2 170.8 74.5 28.8 4.2 52.3 -4.3 56 53 A L - 0 0 99 -6,-1.1 -1,-0.2 -9,-0.1 2,-0.1 -0.650 23.2-143.7 -76.7 114.3 2.4 50.2 -1.8 57 54 A P - 0 0 108 0, 0.0 -1,-0.0 0, 0.0 -9,-0.0 -0.455 20.5-179.1 -79.8 151.2 1.9 52.3 1.4 58 55 A F - 0 0 57 -2,-0.1 -7,-0.0 -10,-0.0 -2,-0.0 -0.988 30.5-103.4-152.0 141.7 2.1 50.8 4.9 59 56 A P > - 0 0 60 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.415 21.3-132.9 -66.7 130.3 1.7 52.1 8.5 60 57 A P T >> S+ 0 0 116 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.658 102.3 76.5 -57.6 -13.8 4.9 52.8 10.5 61 58 A E H 3> S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.749 73.7 79.1 -68.3 -25.0 3.1 50.9 13.3 62 59 A I H <> S+ 0 0 40 -3,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.837 87.0 58.3 -53.3 -35.0 3.9 47.7 11.5 63 60 A K H <> S+ 0 0 83 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.2 0.964 108.5 44.1 -59.2 -53.2 7.4 47.9 12.9 64 61 A E H X S+ 0 0 96 -4,-0.6 4,-2.7 1,-0.2 5,-0.2 0.906 106.2 59.6 -60.0 -45.6 6.1 47.9 16.5 65 62 A E H X S+ 0 0 104 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.903 110.9 42.8 -49.7 -45.4 3.5 45.1 15.9 66 63 A S H X S+ 0 0 15 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.895 110.2 55.9 -67.7 -43.0 6.4 42.8 14.9 67 64 A K H X S+ 0 0 34 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.898 111.4 45.3 -56.8 -40.3 8.7 44.0 17.8 68 65 A K H X S+ 0 0 98 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.872 108.4 53.5 -74.8 -36.8 5.9 43.1 20.2 69 66 A R H X S+ 0 0 110 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.938 114.9 44.5 -61.1 -42.9 5.2 39.6 18.6 70 67 A I H X S+ 0 0 3 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.946 113.4 47.9 -65.5 -50.5 8.8 38.9 19.0 71 68 A E H X S+ 0 0 44 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.877 110.9 52.0 -60.8 -37.6 9.2 40.3 22.5 72 69 A R H X S+ 0 0 95 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.948 108.2 51.4 -63.5 -46.7 6.1 38.4 23.7 73 70 A R H X S+ 0 0 43 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.867 110.5 50.1 -58.5 -36.0 7.5 35.1 22.3 74 71 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.967 110.9 47.0 -67.2 -51.1 10.7 35.8 24.2 75 72 A R H X S+ 0 0 89 -4,-2.5 4,-3.2 1,-0.2 5,-0.4 0.888 108.3 57.0 -56.0 -44.0 9.0 36.5 27.5 76 73 A E H X S+ 0 0 94 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.950 114.6 36.3 -53.8 -54.0 6.8 33.4 27.2 77 74 A V H X S+ 0 0 7 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.914 117.4 52.1 -66.3 -45.2 9.8 31.1 26.9 78 75 A W H X S+ 0 0 13 -4,-3.0 4,-3.4 -5,-0.2 6,-0.6 0.936 113.7 43.1 -57.4 -49.4 11.9 33.0 29.3 79 76 A E H X S+ 0 0 89 -4,-3.2 4,-3.1 3,-0.2 -2,-0.2 0.951 111.4 54.6 -63.1 -50.0 9.3 32.9 32.0 80 77 A K H < S+ 0 0 131 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.846 123.3 27.2 -52.4 -37.7 8.4 29.3 31.4 81 78 A L H < S+ 0 0 72 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.759 135.4 29.6 -96.7 -31.2 12.0 28.3 31.8 82 79 A T H < S- 0 0 43 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.2 0.411 90.1-130.7-111.4 -0.7 13.3 30.9 34.2 83 80 A G S < S+ 0 0 58 -4,-3.1 2,-0.3 -5,-0.3 -4,-0.2 0.449 83.2 95.4 63.9 -5.4 10.2 31.9 36.1 84 81 A S - 0 0 40 -6,-0.6 -2,-0.3 2,-0.1 -1,-0.2 -0.861 64.4-155.6-116.3 151.5 11.2 35.4 35.2 85 82 A T + 0 0 79 -2,-0.3 2,-1.2 -7,-0.1 -6,-0.1 0.141 57.6 120.4-109.4 17.9 10.1 37.6 32.3 86 83 A E + 0 0 163 -8,-0.1 -2,-0.1 -11,-0.1 0, 0.0 -0.723 43.1 178.1 -84.4 98.3 13.3 39.8 32.3 87 84 A I - 0 0 44 -2,-1.2 3,-0.1 1,-0.2 -2,-0.1 -0.565 32.5 -92.7 -98.8 163.9 14.6 39.2 28.8 88 85 A P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.156 52.7 -86.0 -66.9 167.8 17.7 40.7 27.2 89 86 A G - 0 0 62 1,-0.0 -52,-0.8 -51,-0.0 2,-0.5 -0.513 45.0-133.5 -74.3 147.4 17.5 43.8 25.1 90 87 A V E -c 37 0A 22 -2,-0.2 2,-0.5 -54,-0.1 -52,-0.2 -0.910 8.7-150.0-109.5 132.1 16.6 43.2 21.5 91 88 A E E -c 38 0A 88 -54,-2.3 -52,-3.2 -2,-0.5 2,-0.5 -0.880 15.1-154.4 -98.5 124.3 18.4 44.8 18.6 92 89 A Y E +c 39 0A 34 -2,-0.5 2,-0.4 -54,-0.2 -52,-0.2 -0.876 15.1 177.4-106.7 132.6 16.3 45.3 15.6 93 90 A R E -c 40 0A 84 -54,-2.0 -52,-2.6 -2,-0.5 2,-0.7 -0.996 18.5-147.3-130.4 134.3 17.6 45.5 12.0 94 91 A I + 0 0 44 -2,-0.4 -52,-0.1 -54,-0.2 -54,-0.1 -0.868 58.5 61.5-108.1 105.0 15.5 45.9 8.9 95 92 A G S S- 0 0 1 -2,-0.7 -50,-0.2 0, 0.0 2,-0.1 -0.978 89.9 -23.9 172.2-169.6 17.0 44.2 5.9 96 93 A P > - 0 0 33 0, 0.0 4,-2.8 0, 0.0 5,-0.3 -0.435 58.3-127.5 -65.6 133.9 18.1 40.9 4.3 97 94 A L H > S+ 0 0 4 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.935 102.8 43.3 -46.9 -70.5 19.0 38.3 6.9 98 95 A S H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 117.1 47.4 -40.6 -61.7 22.5 37.3 5.8 99 96 A E H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 115.3 44.7 -49.8 -49.0 23.5 40.9 5.1 100 97 A E H X S+ 0 0 21 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.876 112.0 50.8 -68.5 -40.4 22.2 42.2 8.4 101 98 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.3 5,-0.2 0.936 111.5 49.8 -63.2 -44.9 23.6 39.4 10.5 102 99 A K H X S+ 0 0 91 -4,-2.7 4,-1.6 -5,-0.3 -2,-0.2 0.944 113.3 45.0 -58.6 -50.7 27.0 39.9 8.9 103 100 A K H >< S+ 0 0 126 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.977 117.0 44.6 -56.6 -58.5 26.9 43.7 9.5 104 101 A F H 3< S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.902 115.3 45.9 -52.1 -51.6 25.7 43.4 13.1 105 102 A V H >< S+ 0 0 10 -4,-2.9 3,-1.3 -5,-0.2 5,-0.3 0.712 83.0 119.8 -69.6 -23.7 28.1 40.6 14.1 106 103 A E T << S- 0 0 159 -4,-1.6 -3,-0.0 -3,-0.5 -4,-0.0 -0.145 86.2 -5.5 -52.7 130.5 31.3 42.0 12.6 107 104 A G T 3 S+ 0 0 84 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.831 103.4 103.5 55.5 37.9 34.1 42.7 15.0 108 105 A K S < S- 0 0 83 -3,-1.3 -2,-0.1 2,-0.1 -1,-0.1 0.367 82.9-126.8-122.6 -4.5 32.1 41.8 18.2 109 106 A G + 0 0 62 -4,-0.3 2,-0.5 1,-0.2 -104,-0.3 0.935 35.2 179.8 58.7 56.4 33.6 38.4 18.7 110 107 A Y - 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