==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-JUL-06 2DST . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TTHA1544; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.XIE,S.KISHISHITA,K.MURAYAMA,M.SHIROUZU,L.CHEN,Z.J.LIU, . 244 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 10.7 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 29 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 2 1 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 R 0 0 132 0, 0.0 2,-0.5 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 116.7 11.6 7.0 -14.1 2 3 A R E -A 17 0A 153 15,-2.2 15,-1.5 1,-0.0 2,-0.1 -0.838 360.0-133.2 -99.7 128.9 12.1 9.9 -11.7 3 4 A A E +A 16 0A 70 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.423 33.8 162.7 -76.3 150.8 14.6 9.5 -9.0 4 5 A G E -A 15 0A 27 11,-2.2 11,-1.7 -2,-0.1 2,-0.3 -0.882 24.0-135.7-153.6-177.6 13.7 10.5 -5.4 5 6 A Y E -A 14 0A 158 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.997 4.9-163.8-152.0 148.8 14.8 10.2 -1.8 6 7 A L E -A 13 0A 29 7,-1.7 7,-2.4 -2,-0.3 2,-0.6 -0.978 21.3-135.6-136.4 121.0 13.2 9.5 1.6 7 8 A H E +A 12 0A 101 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.682 42.3 161.7 -76.2 119.8 14.9 10.2 4.9 8 9 A L E > -A 11 0A 4 3,-3.2 3,-2.1 -2,-0.6 -2,-0.1 -0.973 57.5 -8.7-148.5 128.2 14.2 7.1 6.9 9 10 A Y T 3 S- 0 0 85 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.901 130.3 -52.5 52.7 42.8 15.8 5.6 10.0 10 11 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.299 121.7 99.2 79.3 -7.5 18.6 8.1 9.8 11 12 A L E < S-A 8 0A 33 -3,-2.1 -3,-3.2 -5,-0.1 2,-0.7 -0.661 72.0-127.0-110.6 164.6 19.3 7.3 6.1 12 13 A N E -A 7 0A 76 44,-0.4 2,-0.6 -5,-0.3 44,-0.3 -0.866 28.1-160.7-112.2 94.3 18.4 8.8 2.8 13 14 A L E -A 6 0A 0 -7,-2.4 -7,-1.7 -2,-0.7 2,-0.3 -0.676 5.9-151.0 -81.4 116.6 17.0 6.0 0.8 14 15 A V E +A 5 0A 25 -2,-0.6 34,-2.0 34,-0.4 2,-0.3 -0.653 22.0 169.4 -88.6 142.5 17.1 6.7 -3.0 15 16 A F E -AB 4 47A 16 -11,-1.7 -11,-2.2 -2,-0.3 2,-0.3 -0.983 29.2-128.4-150.0 157.5 14.4 5.2 -5.2 16 17 A D E -AB 3 46A 25 30,-2.3 30,-3.1 -2,-0.3 2,-0.3 -0.820 24.2-160.3-106.9 148.3 13.1 5.5 -8.8 17 18 A R E +AB 2 45A 27 -15,-1.5 -15,-2.2 -2,-0.3 2,-0.3 -0.960 17.3 158.6-132.2 149.3 9.4 5.9 -9.5 18 19 A V E + B 0 44A 50 26,-1.4 26,-3.0 -2,-0.3 -2,-0.0 -0.930 39.8 23.8-165.1 142.3 7.3 5.3 -12.6 19 20 A G - 0 0 30 -2,-0.3 2,-0.3 24,-0.2 24,-0.1 0.055 61.0-105.9 90.1 164.0 3.6 4.8 -13.3 20 21 A K + 0 0 138 22,-0.2 21,-0.4 23,-0.1 24,-0.0 -0.972 69.1 50.2-131.8 148.2 0.2 5.5 -11.8 21 22 A G S S+ 0 0 44 -2,-0.3 22,-0.4 21,-0.2 21,-0.2 -0.788 95.4 10.3 123.0-166.8 -2.2 3.2 -10.0 22 23 A P S S- 0 0 82 0, 0.0 21,-2.3 0, 0.0 2,-0.2 -0.074 85.4-110.0 -43.1 134.9 -1.9 0.6 -7.2 23 24 A P E -c 43 0A 41 0, 0.0 59,-0.7 0, 0.0 2,-0.4 -0.472 37.1-174.7 -76.6 144.6 1.5 1.0 -5.6 24 25 A V E -cd 44 82A 4 19,-2.9 21,-2.4 57,-0.2 2,-0.5 -0.979 14.1-146.5-139.8 127.1 4.1 -1.7 -6.1 25 26 A L E -cd 45 83A 0 57,-2.4 59,-2.9 -2,-0.4 2,-0.6 -0.805 4.7-162.5 -98.4 130.0 7.5 -2.0 -4.6 26 27 A L E -cd 46 84A 0 19,-2.5 21,-1.6 -2,-0.5 2,-0.5 -0.941 17.5-173.4-106.6 114.6 10.3 -3.6 -6.6 27 28 A V E +cd 47 85A 0 57,-3.0 59,-1.4 -2,-0.6 2,-0.2 -0.936 25.7 121.4-125.0 116.8 13.0 -4.6 -4.1 28 29 A A S S- 0 0 0 19,-0.5 21,-0.5 -2,-0.5 59,-0.2 -0.625 84.1 -61.3-142.0-165.8 16.5 -5.9 -5.0 29 30 A E S S- 0 0 39 -2,-0.2 20,-2.0 1,-0.2 2,-0.3 0.921 113.8 -28.6 -52.4 -50.0 19.9 -4.5 -4.2 30 31 A E S > S- 0 0 36 18,-0.3 3,-1.8 23,-0.1 18,-0.3 -0.971 75.5 -79.0-162.3 167.8 19.0 -1.3 -6.1 31 32 A A G > S+ 0 0 3 15,-0.3 3,-1.5 -2,-0.3 17,-0.1 0.685 109.8 68.6 -45.3 -38.8 16.9 0.0 -9.0 32 33 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.1 16,-0.0 0.581 81.5 78.0 -67.2 -5.1 19.0 -1.0 -12.0 33 34 A R G < S+ 0 0 75 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.1 0.333 84.2 68.1 -85.0 13.2 18.2 -4.6 -11.4 34 35 A W < + 0 0 0 -3,-1.5 -1,-0.2 1,-0.1 4,-0.1 -0.504 57.0 150.1-126.8 62.1 14.8 -4.0 -13.0 35 36 A P + 0 0 105 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.778 40.1 102.6 -63.2 -32.7 15.8 -3.3 -16.6 36 37 A E S S- 0 0 14 -3,-0.1 2,-0.6 1,-0.1 -2,-0.0 0.109 86.1 -97.3 -50.1 165.6 12.6 -4.6 -18.1 37 38 A A - 0 0 92 1,-0.0 75,-0.3 0, 0.0 -1,-0.1 -0.817 44.3-135.3 -90.1 121.5 9.8 -2.3 -19.4 38 39 A L - 0 0 31 -2,-0.6 4,-0.0 -4,-0.1 -19,-0.0 -0.571 18.9-107.7 -83.2 140.0 7.3 -2.0 -16.6 39 40 A P > - 0 0 36 0, 0.0 3,-0.5 0, 0.0 2,-0.1 -0.216 30.1-112.8 -63.9 151.4 3.5 -2.3 -17.2 40 41 A E T 3 S+ 0 0 189 1,-0.2 3,-0.1 -21,-0.1 -19,-0.1 -0.465 91.9 57.6 -79.9 158.9 1.2 0.7 -17.1 41 42 A G T 3 S+ 0 0 44 -21,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.431 89.7 82.9 101.2 -1.6 -1.4 0.8 -14.3 42 43 A Y S < S- 0 0 47 -3,-0.5 2,-1.0 -21,-0.2 -1,-0.3 -0.985 71.3-131.8-135.6 148.1 0.9 0.6 -11.3 43 44 A A E - c 0 23A 4 -21,-2.3 -19,-2.9 -22,-0.4 2,-0.3 -0.863 35.4-159.7 -98.6 101.7 2.9 3.1 -9.4 44 45 A F E -Bc 18 24A 1 -26,-3.0 -26,-1.4 -2,-1.0 2,-0.5 -0.674 13.1-166.9 -87.4 138.1 6.2 1.4 -9.1 45 46 A Y E -Bc 17 25A 18 -21,-2.4 -19,-2.5 -2,-0.3 2,-0.8 -0.975 4.8-163.6-124.9 114.1 8.8 2.3 -6.5 46 47 A L E -Bc 16 26A 0 -30,-3.1 -30,-2.3 -2,-0.5 -15,-0.3 -0.871 15.1-151.2-104.1 108.2 12.3 0.8 -7.2 47 48 A L E -Bc 15 27A 0 -21,-1.6 2,-0.8 -2,-0.8 -19,-0.5 -0.453 16.4-149.2 -84.4 145.8 14.4 1.0 -4.0 48 49 A D - 0 0 2 -34,-2.0 -34,-0.4 -18,-0.3 -18,-0.3 -0.941 35.3-134.4-106.0 103.6 18.2 1.3 -3.7 49 50 A L > - 0 0 0 -20,-2.0 3,-2.7 -2,-0.8 6,-0.4 -0.245 33.1 -79.8 -61.9 149.9 18.7 -0.6 -0.4 50 51 A P T 3 S+ 0 0 0 0, 0.0 10,-0.3 0, 0.0 6,-0.2 -0.227 120.9 21.6 -49.9 124.6 20.9 0.9 2.3 51 52 A G T 3 S+ 0 0 21 4,-2.9 2,-0.3 1,-0.3 5,-0.1 0.168 112.7 86.5 99.9 -17.1 24.6 0.2 1.4 52 53 A Y S X S- 0 0 47 -3,-2.7 3,-2.2 3,-0.3 -1,-0.3 -0.862 91.2 -24.3-120.8 153.3 23.8 -0.4 -2.3 53 54 A G T 3 S- 0 0 62 -2,-0.3 -23,-0.1 1,-0.3 -5,-0.0 -0.281 126.8 -11.9 56.1-124.0 23.5 1.8 -5.3 54 55 A R T 3 S+ 0 0 104 -40,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.327 112.4 97.1 -91.3 6.0 22.7 5.4 -4.5 55 56 A T < - 0 0 2 -3,-2.2 -4,-2.9 -6,-0.4 -3,-0.3 -0.818 66.4-145.4-107.0 103.9 21.8 4.7 -0.8 56 57 A E + 0 0 177 -2,-0.8 -44,-0.4 -44,-0.3 -4,-0.1 -0.369 48.1 117.0 -59.2 126.5 24.6 5.4 1.7 57 58 A G - 0 0 30 -7,-0.2 2,-0.1 -2,-0.1 -2,-0.0 -0.969 60.9 -85.9 177.9 165.9 24.3 2.9 4.5 58 59 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 -0.491 52.1 -94.1 -86.1 160.9 25.8 0.0 6.4 59 60 A R - 0 0 168 -2,-0.1 2,-0.3 -8,-0.1 -8,-0.1 -0.606 54.5-174.1 -71.6 123.7 25.5 -3.6 5.4 60 61 A M - 0 0 42 -2,-0.4 5,-0.0 -10,-0.3 -3,-0.0 -0.858 26.3 -97.5-124.5 160.6 22.4 -5.0 7.4 61 62 A A > - 0 0 32 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.222 38.7-109.4 -68.5 159.9 20.7 -8.3 7.9 62 63 A P H > S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.838 119.9 52.8 -61.8 -34.1 17.7 -9.3 5.8 63 64 A E H > S+ 0 0 80 2,-0.2 4,-0.9 1,-0.2 29,-0.0 0.881 110.7 48.2 -70.2 -33.6 15.3 -9.0 8.7 64 65 A E H > S+ 0 0 96 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.908 111.6 49.1 -71.2 -42.0 16.7 -5.5 9.3 65 66 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.863 103.3 60.7 -65.0 -35.8 16.3 -4.5 5.6 66 67 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.843 100.7 57.3 -60.6 -31.1 12.7 -5.8 5.6 67 68 A H H X S+ 0 0 64 -4,-0.9 4,-3.1 -3,-0.4 -1,-0.2 0.897 103.7 50.7 -66.2 -38.6 12.1 -3.2 8.3 68 69 A F H X S+ 0 0 12 -4,-1.1 4,-3.0 -3,-0.3 -2,-0.2 0.915 109.9 50.4 -63.7 -43.0 13.3 -0.4 6.0 69 70 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.942 113.8 44.0 -60.5 -47.9 11.0 -1.7 3.2 70 71 A A H X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.933 113.4 52.2 -61.2 -46.2 8.0 -1.7 5.6 71 72 A G H X S+ 0 0 4 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.909 108.0 52.4 -55.9 -42.3 9.1 1.6 6.9 72 73 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.908 107.1 52.3 -60.5 -46.6 9.2 3.0 3.4 73 74 A A H <>S+ 0 0 2 -4,-2.2 5,-3.4 2,-0.2 6,-0.4 0.880 115.2 38.0 -59.9 -44.5 5.7 1.8 2.6 74 75 A V H ><5S+ 0 0 10 -4,-1.9 3,-1.2 3,-0.2 -1,-0.2 0.866 115.1 55.0 -75.8 -34.3 3.9 3.4 5.6 75 76 A M H 3<5S+ 0 0 52 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.872 111.7 44.0 -64.0 -38.1 6.2 6.5 5.3 76 77 A M T 3<5S- 0 0 55 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.259 113.9-118.8 -93.5 12.3 5.1 7.0 1.7 77 78 A N T < 5 + 0 0 97 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.858 66.0 144.0 54.2 40.3 1.5 6.3 2.5 78 79 A L < - 0 0 16 -5,-3.4 2,-0.4 1,-0.3 -4,-0.2 0.436 43.5-148.8 -89.9 1.9 1.5 3.3 0.2 79 80 A G - 0 0 31 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.531 64.5 -22.1 71.8-125.4 -0.8 1.1 2.3 80 81 A A S S- 0 0 76 -2,-0.4 -1,-0.2 21,-0.0 22,-0.2 -0.620 79.2-178.6-123.9 71.2 -0.0 -2.6 1.9 81 82 A P - 0 0 4 0, 0.0 21,-0.4 0, 0.0 2,-0.2 -0.310 31.2-109.2 -69.9 151.9 1.8 -2.8 -1.5 82 83 A W E -d 24 0A 72 -59,-0.7 -57,-2.4 19,-0.1 2,-0.5 -0.540 29.5-142.3 -76.6 149.2 3.0 -6.0 -3.0 83 84 A V E -de 25 103A 0 19,-3.1 21,-3.2 -2,-0.2 2,-0.3 -0.958 8.4-158.0-119.0 114.6 6.8 -6.4 -2.9 84 85 A L E -de 26 104A 0 -59,-2.9 -57,-3.0 -2,-0.5 2,-0.4 -0.713 18.3-150.4 -86.7 142.5 8.5 -8.1 -5.9 85 86 A L E +de 27 105A 4 19,-2.6 21,-3.0 -2,-0.3 2,-0.3 -0.906 24.1 161.7-123.6 146.4 11.9 -9.5 -5.1 86 87 A R > - 0 0 17 -59,-1.4 3,-1.8 -2,-0.4 -57,-0.2 -0.984 59.6 -17.6-155.7 147.0 15.2 -10.1 -7.0 87 88 A G G > S+ 0 0 21 -2,-0.3 3,-1.8 1,-0.3 4,-0.4 -0.277 135.1 3.5 57.5-132.5 18.8 -10.7 -6.0 88 89 A L G > S+ 0 0 44 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.828 125.2 70.7 -51.6 -35.8 19.4 -9.6 -2.4 89 90 A G G X> S+ 0 0 0 -3,-1.8 3,-1.6 1,-0.3 4,-0.6 0.769 82.8 70.3 -55.2 -31.5 15.7 -8.8 -2.0 90 91 A L G X4 S+ 0 0 67 -3,-1.8 3,-0.8 1,-0.3 -1,-0.3 0.813 89.3 62.0 -56.8 -34.6 14.8 -12.5 -2.1 91 92 A A G <4 S+ 0 0 48 -3,-1.5 4,-0.4 -4,-0.4 -1,-0.3 0.735 98.7 58.9 -67.2 -17.6 16.3 -12.9 1.4 92 93 A L G <> S+ 0 0 0 -3,-1.6 4,-2.4 -4,-0.4 3,-0.4 0.738 76.8 95.4 -81.1 -25.8 13.8 -10.4 2.7 93 94 A G H S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.926 116.6 46.4 -58.1 -47.0 9.8 -14.2 5.0 95 96 A H H > S+ 0 0 67 -3,-0.4 4,-1.0 -4,-0.4 -2,-0.2 0.868 111.6 53.7 -65.3 -32.7 10.5 -11.2 7.2 96 97 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 3,-0.7 0.938 107.4 49.3 -65.4 -47.9 8.4 -9.0 4.9 97 98 A E H ><5S+ 0 0 74 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.909 107.8 55.3 -58.3 -42.2 5.4 -11.2 5.1 98 99 A A H 3<5S+ 0 0 62 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.780 105.0 53.3 -62.9 -26.5 5.7 -11.3 8.9 99 100 A L T <<5S- 0 0 20 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.427 128.9 -97.7 -87.7 0.3 5.5 -7.4 8.8 100 101 A G T < 5S+ 0 0 21 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.558 85.8 118.9 99.0 6.8 2.3 -7.6 6.8 101 102 A L < - 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