==== 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-MAY-04 1WK4 . COMPND 2 MOLECULE: TTK003001606; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.KAMINISHI,H.SAKAI,T.TERADA,M.SHIROUZU,S.YOKOYAMA,RIKEN STR . 522 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 23.2 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 37 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 2 0 1 1 2 0 0 1 2 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 3 0 3 6 2 1 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 3 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 V 0 0 78 0, 0.0 2,-0.5 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0 179.0 2.9 36.6 -6.1 2 2 A R E -A 64 0A 171 62,-1.9 62,-2.2 2,-0.0 2,-0.6 -0.943 360.0-154.5-113.0 125.4 0.6 33.9 -7.4 3 3 A I E +A 63 0A 35 -2,-0.5 2,-0.3 60,-0.2 60,-0.2 -0.891 30.8 156.1 -99.4 126.9 0.7 30.4 -5.9 4 4 A R E -A 62 0A 72 58,-2.4 58,-2.6 -2,-0.6 -2,-0.0 -0.941 46.5 -92.3-145.7 165.5 -0.4 27.8 -8.3 5 5 A R E -A 61 0A 121 -2,-0.3 2,-0.4 56,-0.3 56,-0.3 -0.272 50.1-130.8 -71.0 168.4 -0.0 24.1 -9.1 6 6 A A - 0 0 18 54,-1.1 54,-0.2 55,-0.1 2,-0.1 -0.954 18.3-162.1-133.9 150.9 2.8 23.3 -11.5 7 7 A G >> - 0 0 16 -2,-0.4 3,-0.8 1,-0.0 4,-0.7 -0.225 49.5 -78.1-106.0-161.5 3.4 21.4 -14.6 8 8 A L T 34 S+ 0 0 81 1,-0.2 3,-0.4 2,-0.2 39,-0.0 0.807 124.6 64.0 -71.5 -32.6 6.6 20.1 -16.3 9 9 A E T 34 S+ 0 0 155 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.630 101.9 53.4 -68.0 -11.5 7.5 23.5 -17.7 10 10 A D T <> S+ 0 0 16 -3,-0.8 4,-2.2 2,-0.1 3,-0.4 0.769 86.2 83.6 -92.2 -30.2 7.8 24.6 -14.1 11 11 A L H X S+ 0 0 8 -4,-0.7 4,-3.3 -3,-0.4 5,-0.2 0.865 83.6 55.3 -41.5 -60.4 10.3 21.9 -13.0 12 12 A P H > S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.927 114.1 43.6 -41.4 -54.7 13.5 23.5 -14.2 13 13 A G H > S+ 0 0 24 -3,-0.4 4,-1.7 -4,-0.3 -2,-0.2 0.872 111.3 53.4 -58.5 -40.7 12.6 26.6 -12.2 14 14 A V H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 105.3 57.0 -60.9 -40.1 11.5 24.4 -9.2 15 15 A A H X S+ 0 0 1 -4,-3.3 4,-2.5 1,-0.2 5,-0.3 0.919 104.4 49.8 -56.6 -49.2 14.9 22.8 -9.4 16 16 A R H X S+ 0 0 73 -4,-1.8 4,-2.2 1,-0.2 5,-0.3 0.865 110.3 50.7 -60.3 -37.8 16.8 26.1 -9.0 17 17 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 3,-0.2 5,-0.3 0.910 111.9 48.7 -67.0 -40.3 14.7 27.0 -6.0 18 18 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.985 118.7 35.4 -62.0 -62.6 15.4 23.6 -4.4 19 19 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.940 119.8 48.9 -58.6 -52.5 19.2 23.5 -4.8 20 20 A D H X S+ 0 0 44 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.907 117.1 41.5 -57.1 -43.6 19.7 27.3 -4.3 21 21 A T H < S+ 0 0 5 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.2 0.812 114.9 52.4 -75.4 -29.8 17.6 27.3 -1.1 22 22 A W H >X>S+ 0 0 35 -4,-2.5 4,-3.0 -5,-0.3 3,-1.7 0.987 111.6 44.6 -66.5 -57.3 19.1 24.0 0.0 23 23 A R H 3X5S+ 0 0 54 -4,-3.1 4,-1.3 1,-0.3 -2,-0.2 0.917 114.7 49.4 -49.8 -51.7 22.7 25.2 -0.4 24 24 A A H 3<5S+ 0 0 65 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.531 120.6 36.4 -68.7 -7.2 21.9 28.6 1.3 25 25 A T H <45S+ 0 0 54 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.802 119.8 35.5-113.7 -45.5 20.2 26.9 4.2 26 26 A Y H >X5S+ 0 0 27 -4,-3.0 3,-3.4 -5,-0.2 4,-2.4 0.586 78.9 122.9 -90.9 -10.3 21.9 23.7 5.2 27 27 A R B 3<> - 0 0 5 0, 0.0 3,-1.4 0, 0.0 4,-1.2 -0.107 32.0-127.1 -44.2 127.2 28.3 18.2 4.6 32 32 A E H 3> S+ 0 0 13 465,-1.2 4,-3.0 1,-0.3 5,-0.3 0.756 106.8 65.1 -47.0 -34.7 29.4 20.5 1.7 33 33 A A H 3> S+ 0 0 74 464,-0.4 4,-1.0 2,-0.2 -1,-0.3 0.927 102.5 50.0 -57.2 -44.0 30.1 17.5 -0.5 34 34 A F H X4 S+ 0 0 68 -3,-1.4 3,-0.6 2,-0.2 4,-0.2 0.975 113.7 42.4 -57.2 -62.2 26.3 16.8 -0.4 35 35 A L H >< S+ 0 0 0 -4,-1.2 3,-2.9 1,-0.3 -2,-0.2 0.949 116.8 46.6 -51.5 -55.7 25.2 20.3 -1.2 36 36 A E H 3< S+ 0 0 133 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.743 108.6 60.9 -60.4 -18.5 27.9 20.7 -3.9 37 37 A G T << S+ 0 0 57 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.467 82.3 105.7 -85.8 -3.5 26.6 17.2 -4.9 38 38 A L < - 0 0 26 -3,-2.9 2,-0.4 -4,-0.2 -3,-0.0 -0.486 59.8-149.8 -75.1 149.5 23.1 18.6 -5.6 39 39 A S > - 0 0 54 1,-0.1 4,-1.3 -2,-0.1 5,-0.2 -0.975 21.3-152.9-129.9 139.3 22.1 19.0 -9.2 40 40 A Y H > S+ 0 0 100 -2,-0.4 4,-1.8 2,-0.2 -1,-0.1 0.957 100.8 37.9 -66.9 -52.3 19.8 21.3 -11.1 41 41 A E H > S+ 0 0 154 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.961 117.1 47.0 -66.0 -55.7 19.1 18.8 -13.9 42 42 A G H > S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.868 112.2 52.4 -56.5 -37.8 18.9 15.6 -12.0 43 43 A Q H X S+ 0 0 26 -4,-1.3 4,-1.9 2,-0.2 5,-0.3 0.927 107.3 51.5 -64.3 -43.6 16.7 17.3 -9.4 44 44 A A H X S+ 0 0 17 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.905 110.0 51.6 -58.0 -40.6 14.4 18.4 -12.2 45 45 A E H >X S+ 0 0 109 -4,-2.5 4,-2.2 2,-0.2 3,-1.2 0.960 102.7 58.5 -59.5 -54.1 14.3 14.8 -13.3 46 46 A R H 3X S+ 0 0 105 -4,-2.8 4,-1.2 1,-0.3 -2,-0.2 0.910 115.4 34.8 -40.8 -57.4 13.4 13.6 -9.8 47 47 A W H 3X S+ 0 0 2 -4,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.612 113.2 67.1 -76.1 -10.6 10.2 15.7 -9.9 48 48 A A H - 0 0 52 -2,-1.6 3,-3.2 -3,-0.3 -1,-0.1 -0.560 56.0-160.9-166.1 92.4 2.7 9.1 -13.1 54 54 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.752 95.2 58.0 -45.9 -31.5 -1.2 8.9 -13.1 55 55 A T T 3 S+ 0 0 117 2,-0.0 0, 0.0 1,-0.0 0, 0.0 0.424 83.4 101.8 -83.3 1.4 -0.9 6.7 -9.9 56 56 A W < - 0 0 45 -3,-3.2 -3,-0.1 -6,-0.2 -1,-0.0 -0.790 53.4-166.3 -94.8 111.4 1.0 9.4 -8.0 57 57 A P + 0 0 53 0, 0.0 -1,-0.1 0, 0.0 19,-0.1 0.414 44.6 134.9 -71.9 0.0 -1.2 11.4 -5.6 58 58 A G - 0 0 6 -8,-0.1 2,-0.5 19,-0.1 19,-0.2 -0.188 41.8-156.4 -55.9 142.6 1.5 14.1 -5.3 59 59 A R E - B 0 76A 60 17,-2.2 17,-2.9 -54,-0.0 2,-0.4 -0.960 6.7-164.7-126.9 113.6 0.5 17.7 -5.4 60 60 A L E - B 0 75A 5 -2,-0.5 -54,-1.1 15,-0.2 2,-0.3 -0.810 5.0-174.0-103.0 137.3 3.0 20.4 -6.5 61 61 A F E -AB 5 74A 8 13,-3.2 13,-1.4 -2,-0.4 2,-0.3 -0.819 3.6-163.4-120.6 164.4 2.6 24.1 -6.0 62 62 A V E -AB 4 73A 0 -58,-2.6 -58,-2.4 -2,-0.3 2,-0.4 -0.976 16.8-136.3-153.4 131.6 4.7 27.0 -7.2 63 63 A A E -AB 3 72A 0 9,-0.9 8,-1.9 -2,-0.3 9,-1.1 -0.741 27.1-159.2 -86.8 136.1 5.1 30.7 -6.2 64 64 A E E -AB 2 70A 45 -62,-2.2 -62,-1.9 -2,-0.4 6,-0.2 -0.969 8.7-136.3-126.8 124.0 5.3 32.9 -9.3 65 65 A S > - 0 0 5 4,-2.6 3,-1.7 -2,-0.5 7,-0.0 -0.203 34.4-105.4 -67.2 161.2 6.7 36.4 -9.5 66 66 A E T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.809 128.5 58.1 -57.2 -27.3 4.9 39.1 -11.5 67 67 A S T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.751 124.1-110.6 -72.2 -26.2 7.7 38.4 -13.9 68 68 A G < + 0 0 36 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.543 67.4 148.2 104.1 13.0 6.6 34.8 -14.1 69 69 A E - 0 0 78 1,-0.1 -4,-2.6 -56,-0.0 2,-0.8 -0.630 53.0-122.1 -85.0 136.4 9.7 33.4 -12.2 70 70 A V E +B 64 0A 14 -2,-0.3 -6,-0.2 -6,-0.2 -53,-0.1 -0.679 50.0 150.1 -75.6 110.3 9.3 30.3 -10.0 71 71 A V E + 0 0 0 -8,-1.9 26,-2.3 -2,-0.8 2,-0.3 0.613 57.3 45.9-115.7 -24.5 10.5 31.6 -6.7 72 72 A G E +BC 63 96A 0 -9,-1.1 -9,-0.9 24,-0.2 2,-0.3 -0.782 61.5 179.7-118.0 164.2 8.5 29.5 -4.3 73 73 A F E +BC 62 95A 0 22,-0.7 22,-2.7 -2,-0.3 2,-0.3 -0.920 8.6 167.6-167.8 137.5 7.8 25.7 -4.2 74 74 A A E -BC 61 94A 0 -13,-1.4 -13,-3.2 -2,-0.3 2,-0.4 -0.981 12.8-160.6-153.2 139.7 6.0 23.1 -2.1 75 75 A A E -BC 60 93A 0 18,-2.7 18,-1.3 -2,-0.3 17,-1.3 -0.986 11.7-175.4-126.0 133.2 5.0 19.5 -2.7 76 76 A F E +BC 59 91A 1 -17,-2.9 -17,-2.2 -2,-0.4 15,-0.2 -0.700 17.0 124.7-119.8 172.9 2.3 17.6 -0.8 77 77 A G E - C 0 90A 0 13,-0.6 13,-2.3 -19,-0.2 3,-0.1 -0.943 55.8 -26.0 160.9 178.8 1.1 14.0 -0.7 78 78 A P E S- C 0 89A 38 0, 0.0 11,-0.3 0, 0.0 10,-0.1 -0.336 74.4 -95.0 -59.9 128.0 0.3 10.8 1.2 79 79 A D - 0 0 31 9,-3.2 4,-0.1 1,-0.1 10,-0.1 -0.204 38.6-150.9 -44.8 117.3 2.3 10.3 4.4 80 80 A R - 0 0 153 1,-0.1 -1,-0.1 -3,-0.1 12,-0.0 0.983 66.6 -40.7 -61.5 -64.0 5.2 8.2 3.2 81 81 A A S S+ 0 0 83 3,-0.0 -1,-0.1 -3,-0.0 -2,-0.1 0.101 83.6 138.9-158.2 30.1 6.1 6.2 6.3 82 82 A S - 0 0 13 1,-0.1 -2,-0.0 5,-0.1 82,-0.0 0.898 51.7-142.8 -46.2 -52.3 5.9 8.7 9.2 83 83 A G + 0 0 64 4,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.732 56.2 126.8 92.4 22.9 4.3 6.1 11.5 84 84 A F > - 0 0 59 3,-0.3 3,-2.1 42,-0.0 -1,-0.2 -0.876 58.4-132.1-117.5 96.9 1.8 8.4 13.3 85 85 A P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.175 90.8 32.4 -48.9 125.8 -1.7 7.0 13.0 86 86 A G T 3 S+ 0 0 41 1,-0.1 2,-1.0 38,-0.1 38,-0.4 -0.031 92.5 102.4 113.4 -27.4 -4.3 9.6 12.0 87 87 A Y < + 0 0 27 -3,-2.1 -3,-0.3 1,-0.2 -4,-0.2 -0.791 41.4 167.9 -95.4 100.3 -1.8 11.5 9.9 88 88 A T + 0 0 64 -2,-1.0 -9,-3.2 36,-0.9 2,-0.3 0.882 58.6 30.6 -79.5 -46.3 -2.6 10.5 6.3 89 89 A A E -Cd 78 125A 0 35,-1.6 37,-1.0 -11,-0.3 2,-0.3 -0.906 64.2-157.6-122.7 149.8 -0.6 13.0 4.2 90 90 A E E -Cd 77 126A 6 -13,-2.3 2,-0.9 -2,-0.3 -13,-0.6 -0.916 26.8-115.7-126.7 152.3 2.6 14.9 4.7 91 91 A L E -Cd 76 127A 2 35,-1.4 37,-0.5 -2,-0.3 -15,-0.2 -0.748 32.3-171.7 -82.4 106.7 4.3 18.1 3.4 92 92 A W E - 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