==== 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 30-AUG-03 1QW2 . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN TA1206; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR A.SAVCHENKO,E.EVDOKIMOVA,M.KUDRYTSKA,A.E.EDWARDS,D.CHRISTEND . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 23.5 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 . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1 1 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 14 A N 0 0 220 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.6 33.2 6.8 61.1 2 15 A Y - 0 0 205 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.947 360.0-124.3-148.5 167.2 30.2 7.9 59.1 3 16 A F - 0 0 185 -2,-0.3 2,-1.0 0, 0.0 0, 0.0 -0.968 16.6-140.7-119.6 130.1 29.0 8.4 55.5 4 17 A Q + 0 0 120 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.781 24.0 173.1 -91.8 103.2 27.7 11.7 54.2 5 18 A G + 0 0 61 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.846 68.3 6.3 -77.6 -35.6 24.8 10.9 51.9 6 19 A H - 0 0 104 2,-0.0 2,-0.4 19,-0.0 -1,-0.3 -0.994 62.4-164.8-150.7 142.9 23.7 14.4 51.3 7 20 A M + 0 0 38 -2,-0.3 19,-1.8 -3,-0.1 2,-0.3 -0.985 7.8 178.3-131.7 141.7 25.0 17.9 52.1 8 21 A X E -A 25 0A 99 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.998 8.7-165.4-142.6 143.5 23.2 21.3 52.1 9 22 A Q E -A 24 0A 84 15,-2.8 15,-2.1 -2,-0.3 2,-0.4 -0.996 3.7-175.8-130.6 134.0 24.3 24.8 52.9 10 23 A I E +A 23 0A 113 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.967 12.2 175.4-132.5 114.0 22.0 27.8 53.4 11 24 A D E -A 22 0A 72 11,-2.7 11,-3.2 -2,-0.4 2,-0.6 -0.954 25.8-146.2-125.9 141.9 23.6 31.1 54.1 12 25 A S E -A 21 0A 90 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.920 30.5-179.6-102.6 117.8 22.2 34.6 54.4 13 26 A I E -A 20 0A 34 7,-2.4 7,-2.8 -2,-0.6 2,-0.4 -0.865 20.4-142.6-120.8 155.5 24.7 37.1 53.0 14 27 A E E +A 19 0A 145 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.967 19.7 173.2-120.0 130.6 24.7 40.9 52.7 15 28 A I E > S-A 18 0A 17 3,-2.6 3,-2.1 -2,-0.4 -2,-0.0 -0.988 73.1 -11.0-137.8 124.7 26.1 42.7 49.7 16 29 A G T 3 S- 0 0 71 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.861 129.2 -55.5 55.6 36.3 25.8 46.4 49.1 17 30 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.510 115.8 114.7 76.4 3.8 23.3 46.6 52.0 18 31 A K E < -A 15 0A 80 -3,-2.1 -3,-2.6 19,-0.0 2,-0.4 -0.839 62.0-128.9-109.8 147.0 21.1 44.0 50.4 19 32 A V E +A 14 0A 87 -2,-0.3 19,-0.3 -5,-0.2 2,-0.3 -0.772 27.4 178.4 -97.2 137.0 20.3 40.6 51.7 20 33 A Y E -A 13 0A 2 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.6 -0.946 25.2-130.4-134.3 154.1 20.6 37.5 49.6 21 34 A Q E -AB 12 36A 76 15,-2.6 15,-2.7 -2,-0.3 2,-0.5 -0.929 19.5-162.9-108.6 120.1 20.1 33.7 50.2 22 35 A F E -AB 11 35A 6 -11,-3.2 -11,-2.7 -2,-0.6 2,-0.4 -0.893 11.2-176.7-102.4 131.2 22.9 31.5 49.1 23 36 A F E +AB 10 34A 38 11,-2.7 11,-2.0 -2,-0.5 2,-0.3 -0.985 9.8 173.8-130.9 139.4 22.1 27.8 48.7 24 37 A K E +AB 9 33A 39 -15,-2.1 -15,-2.8 -2,-0.4 2,-0.3 -0.984 8.9 162.0-144.4 132.4 24.3 24.8 47.8 25 38 A S E -AB 8 32A 10 7,-2.5 7,-3.1 -2,-0.3 -17,-0.2 -0.983 43.4-103.6-147.6 153.8 23.3 21.2 47.8 26 39 A D + 0 0 58 -19,-1.8 3,-0.1 -2,-0.3 -2,-0.0 -0.496 50.6 151.9 -70.5 152.4 24.6 17.9 46.4 27 40 A L - 0 0 106 1,-0.5 -1,-0.2 3,-0.4 2,-0.1 0.260 59.7 -29.5-143.8 -70.3 22.4 17.0 43.4 28 41 A G S S- 0 0 47 2,-2.1 -1,-0.5 0, 0.0 4,-0.1 -0.129 103.1 -40.4-128.4-135.5 24.2 15.0 40.8 29 42 A N S S+ 0 0 183 -2,-0.1 -3,-0.0 -3,-0.1 0, 0.0 0.548 135.3 44.4 -76.5 -5.5 27.8 14.7 39.6 30 43 A A S S- 0 0 44 16,-0.0 -2,-2.1 36,-0.0 -3,-0.4 -0.943 95.6-113.5-131.6 150.3 27.8 18.5 40.0 31 44 A P - 0 0 30 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.416 22.8-123.8 -82.9 165.3 26.4 20.4 42.9 32 45 A L E +B 25 0A 32 -7,-3.1 -7,-2.5 -2,-0.1 2,-0.3 -0.925 38.4 164.4-107.7 130.1 23.4 22.7 42.7 33 46 A L E +B 24 0A 0 -2,-0.5 11,-2.1 -9,-0.2 2,-0.3 -0.996 7.2 164.8-149.3 144.4 23.9 26.3 43.9 34 47 A F E -BC 23 43A 61 -11,-2.0 -11,-2.7 -2,-0.3 2,-0.4 -0.968 26.4-141.4-151.0 162.5 22.1 29.6 43.6 35 48 A I E -BC 22 42A 0 7,-2.5 7,-2.5 -2,-0.3 2,-0.4 -0.998 25.2-165.2-127.4 122.8 22.0 33.1 45.0 36 49 A K E +BC 21 41A 104 -15,-2.7 -15,-2.6 -2,-0.4 5,-0.2 -0.942 9.7 179.3-120.5 133.2 18.6 34.6 45.4 37 50 A G - 0 0 2 3,-3.2 65,-0.3 -2,-0.4 -17,-0.1 -0.544 48.3 -92.0-113.3-177.7 17.6 38.2 46.0 38 51 A S S S+ 0 0 99 -19,-0.3 64,-0.2 -2,-0.2 3,-0.1 0.744 123.8 32.8 -70.2 -22.0 14.1 39.8 46.3 39 52 A K S S- 0 0 132 62,-1.9 19,-0.4 1,-0.2 2,-0.3 0.717 127.7 -21.8-106.0 -28.0 14.0 40.7 42.6 40 53 A G - 0 0 5 61,-2.2 -3,-3.2 17,-0.1 2,-0.3 -0.930 56.2-122.4-164.4-172.0 15.9 37.8 40.9 41 54 A Y E -Cd 36 59A 46 17,-1.8 19,-1.8 -2,-0.3 2,-0.4 -0.953 4.5-142.1-147.6 163.2 18.4 35.0 41.2 42 55 A A E -Cd 35 60A 0 -7,-2.5 -7,-2.5 -2,-0.3 2,-0.3 -0.982 27.6-179.2-124.2 136.8 21.7 33.6 39.8 43 56 A X E -Cd 34 61A 33 17,-2.3 19,-2.3 -2,-0.4 -9,-0.2 -0.959 25.5-106.6-139.9 157.8 22.1 29.9 39.4 44 57 A C > - 0 0 5 -11,-2.1 3,-2.1 -2,-0.3 19,-0.2 0.081 60.2 -68.7 -67.0-174.9 24.7 27.4 38.3 45 58 A G T 3 S+ 0 0 31 1,-0.3 18,-0.1 20,-0.1 -1,-0.1 0.623 122.0 75.5 -55.3 -19.4 24.7 25.4 35.0 46 59 A Y T 3 S+ 0 0 100 -15,-0.2 -1,-0.3 -13,-0.1 2,-0.2 0.646 72.7 108.5 -70.6 -11.4 21.7 23.3 36.1 47 60 A L < - 0 0 18 -3,-2.1 2,-0.9 15,-0.2 3,-0.1 -0.469 65.5-143.6 -71.2 132.6 19.5 26.3 35.4 48 61 A N >> - 0 0 79 -2,-0.2 4,-1.6 1,-0.2 3,-0.8 -0.856 10.8-166.3 -95.2 103.1 17.2 26.0 32.4 49 62 A X H 3> S+ 0 0 8 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.788 84.7 64.7 -62.8 -27.6 17.2 29.6 31.0 50 63 A E H 3> S+ 0 0 157 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 103.9 47.6 -63.4 -34.9 14.2 28.8 28.7 51 64 A T H <> S+ 0 0 74 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.921 108.9 52.9 -70.8 -42.9 12.2 28.2 31.9 52 65 A S H <>S+ 0 0 0 -4,-1.6 5,-2.6 1,-0.2 4,-0.3 0.909 113.6 44.0 -57.9 -43.2 13.3 31.4 33.5 53 66 A N H ><5S+ 0 0 49 -4,-2.5 3,-1.1 3,-0.2 -1,-0.2 0.895 108.2 58.9 -69.0 -39.8 12.3 33.3 30.3 54 67 A K H 3<5S+ 0 0 181 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.902 113.4 37.2 -55.9 -44.3 9.0 31.4 30.1 55 68 A V T 3<5S- 0 0 86 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.367 115.0-112.2 -92.9 5.5 7.9 32.6 33.5 56 69 A G T < 5 + 0 0 41 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.789 55.8 164.8 72.8 31.3 9.4 36.1 33.3 57 70 A D < - 0 0 53 -5,-2.6 2,-0.9 -6,-0.2 25,-0.6 -0.373 44.9-126.6 -78.9 157.4 12.1 35.8 35.9 58 71 A I + 0 0 34 -19,-0.4 -17,-1.8 24,-0.2 2,-0.3 -0.924 58.3 154.3 -97.9 105.4 15.1 38.2 36.3 59 72 A A E -d 41 0A 0 -2,-0.9 21,-2.9 -19,-0.2 2,-0.4 -0.988 35.4-164.0-142.8 150.4 17.7 35.5 36.2 60 73 A V E -dE 42 79A 0 -19,-1.8 -17,-2.3 -2,-0.3 2,-0.4 -0.980 11.5-149.8-131.7 145.3 21.3 34.8 35.3 61 74 A R E -dE 43 78A 48 17,-2.5 16,-3.1 -2,-0.4 17,-1.3 -0.953 14.7-178.5-117.2 131.5 23.1 31.6 34.6 62 75 A V - 0 0 0 -19,-2.3 2,-0.3 -2,-0.4 -15,-0.2 -0.870 12.0-146.6-123.2 160.0 26.8 31.0 35.4 63 76 A X + 0 0 101 12,-0.4 12,-0.2 -2,-0.3 -19,-0.0 -0.877 65.3 28.6-130.1 161.8 28.9 27.9 34.8 64 77 A G S S+ 0 0 79 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.793 81.1 140.8 64.4 31.9 31.8 26.0 36.4 65 78 A V + 0 0 12 -3,-0.2 -1,-0.2 1,-0.1 -20,-0.1 -0.823 25.3 162.2-109.6 146.6 31.0 27.2 39.9 66 79 A K + 0 0 140 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.463 67.1 38.2-132.7 -16.3 31.2 25.2 43.1 67 80 A T S > S- 0 0 57 1,-0.1 4,-2.1 -34,-0.1 -1,-0.2 -0.868 82.2-107.4-135.7 168.0 31.2 27.9 45.8 68 81 A L H > S+ 0 0 32 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.913 121.0 53.2 -60.0 -43.7 29.7 31.3 46.6 69 82 A D H > S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 106.8 51.7 -58.8 -42.8 33.0 32.9 45.8 70 83 A D H > S+ 0 0 70 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.913 109.8 50.2 -60.8 -43.4 33.2 31.2 42.4 71 84 A X H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 23,-0.4 0.927 108.8 49.8 -61.5 -47.9 29.7 32.5 41.6 72 85 A L H 3< S+ 0 0 22 -4,-2.4 23,-2.4 1,-0.3 24,-0.2 0.804 116.5 42.6 -62.9 -29.6 30.4 36.1 42.5 73 86 A S H 3< S+ 0 0 92 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.491 96.8 102.2 -94.5 -4.8 33.6 36.1 40.3 74 87 A A S << S- 0 0 16 -3,-0.8 20,-2.7 -4,-0.8 2,-0.4 -0.442 73.1-118.8 -80.9 152.8 31.9 34.2 37.5 75 88 A K B -F 93 0B 129 18,-0.2 -12,-0.4 -12,-0.2 18,-0.2 -0.731 31.9-104.7 -93.1 139.4 30.7 35.8 34.3 76 89 A V - 0 0 4 16,-3.3 15,-2.8 -2,-0.4 -14,-0.2 -0.435 34.2-176.8 -60.5 125.1 27.1 35.7 33.3 77 90 A V S S+ 0 0 55 -16,-3.1 2,-0.4 1,-0.4 -15,-0.2 0.808 72.3 14.6 -93.0 -37.4 26.7 33.1 30.5 78 91 A E E -E 61 0A 74 -17,-1.3 -17,-2.5 11,-0.1 2,-0.4 -0.998 65.6-164.8-139.1 140.3 23.0 33.7 29.9 79 92 A A E -E 60 0A 7 -2,-0.4 -19,-0.2 -19,-0.2 -21,-0.0 -0.986 24.4-120.0-126.1 135.9 20.7 36.5 31.1 80 93 A S > - 0 0 0 -21,-2.9 4,-2.4 -2,-0.4 5,-0.2 -0.216 30.1-107.0 -68.6 165.6 16.9 36.4 31.1 81 94 A Q H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.915 122.8 48.4 -60.5 -43.6 15.0 38.9 29.0 82 95 A E H > S+ 0 0 74 -25,-0.6 4,-0.7 1,-0.2 -1,-0.2 0.824 110.7 52.5 -66.6 -29.7 13.8 40.7 32.2 83 96 A A H >4>S+ 0 0 0 -26,-0.4 5,-2.3 -24,-0.2 3,-0.7 0.893 107.7 50.5 -71.9 -38.9 17.4 40.7 33.4 84 97 A Q H ><5S+ 0 0 89 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.850 102.0 62.9 -66.6 -32.8 18.6 42.2 30.1 85 98 A K H 3<5S+ 0 0 152 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.794 103.9 48.0 -62.8 -27.9 15.9 44.9 30.5 86 99 A V T <<5S- 0 0 63 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.236 131.6 -90.8 -97.7 14.4 17.6 46.1 33.7 87 100 A G T < 5S+ 0 0 34 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.425 80.6 135.9 98.2 -1.1 21.1 46.2 32.1 88 101 A I < + 0 0 0 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.690 27.1 171.5 -85.5 128.6 22.4 42.7 32.8 89 102 A N > - 0 0 72 -2,-0.4 3,-2.1 -11,-0.1 -13,-0.3 -0.932 42.3 -82.2-135.6 158.9 24.1 41.0 29.8 90 103 A P T 3 S+ 0 0 73 0, 0.0 -13,-0.2 0, 0.0 3,-0.1 -0.325 115.5 38.2 -55.9 135.7 26.2 37.9 29.1 91 104 A G T 3 S+ 0 0 43 -15,-2.8 -14,-0.1 1,-0.4 2,-0.0 0.003 83.1 125.5 109.7 -28.9 29.8 38.7 30.0 92 105 A D < - 0 0 54 -3,-2.1 -16,-3.3 -17,-0.1 2,-0.5 -0.355 66.5-117.7 -64.9 142.7 29.1 40.7 33.1 93 106 A V B >> -F 75 0B 36 -18,-0.2 3,-1.6 1,-0.1 4,-0.6 -0.714 22.7-129.9 -81.3 128.4 30.8 39.6 36.3 94 107 A L H >> S+ 0 0 0 -20,-2.7 3,-1.9 -2,-0.5 4,-1.7 0.864 105.4 58.4 -46.9 -46.7 28.1 38.6 38.8 95 108 A R H 34 S+ 0 0 117 -23,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.834 103.2 55.8 -54.5 -32.7 29.5 40.6 41.6 96 109 A N H <4 S+ 0 0 113 -3,-1.6 -1,-0.3 -24,-0.2 -2,-0.2 0.592 120.8 26.2 -77.9 -11.8 29.2 43.7 39.4 97 110 A V H X< S+ 0 0 10 -3,-1.9 3,-1.9 -4,-0.6 -2,-0.2 0.378 86.2 102.8-131.3 2.5 25.4 43.2 38.8 98 111 A I G >< S+ 0 0 2 -4,-1.7 3,-2.4 1,-0.3 4,-0.5 0.797 71.8 72.1 -58.1 -29.2 24.2 41.3 41.8 99 112 A D G > S+ 0 0 75 -4,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.806 90.1 60.5 -56.8 -29.0 22.7 44.5 43.2 100 113 A K G < S+ 0 0 77 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.503 97.7 58.6 -79.0 -2.5 20.1 44.3 40.4 101 114 A L G < 0 0 1 -3,-2.4 -61,-2.2 -4,-0.2 -62,-1.9 0.495 360.0 360.0-101.4 -7.4 18.9 40.9 41.8 102 115 A G < 0 0 6 -3,-0.9 -82,-0.1 -4,-0.5 -61,-0.1 -0.803 360.0 360.0 -95.6 360.0 18.0 42.4 45.2