==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 13-JAN-04 1V8Q . COMPND 2 MOLECULE: TT0826; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.WANG,C.TAKEMOTO-HORI,K.MURAYAMA,T.TERADA,M.SHIROUZU, . 264 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 33.3 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 . 8 3.0 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 . 16 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.1 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+4), 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 . 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 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 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 0 0 PARALLEL BRIDGES PER LADDER . 0 12 4 0 0 0 4 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 8 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 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 20 A R 0 0 238 0, 0.0 19,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-149.2 19.8 11.8 23.3 2 21 A L + 0 0 83 17,-0.1 2,-0.2 3,-0.0 19,-0.2 -0.293 360.0 84.1 -79.4 164.5 17.6 14.9 24.0 3 22 A G E S-A 20 0A 18 17,-2.5 17,-2.1 -2,-0.1 2,-0.2 -0.662 81.3 -43.4 131.4 172.6 18.2 17.5 26.7 4 23 A V E -A 19 0A 60 15,-0.2 15,-0.2 -2,-0.2 3,-0.1 -0.510 43.8-171.6 -72.1 142.8 20.1 20.7 27.4 5 24 A K + 0 0 78 13,-2.8 2,-0.3 -2,-0.2 14,-0.2 0.547 62.1 48.3-113.7 -11.9 23.7 20.5 26.3 6 25 A R S S- 0 0 61 12,-0.9 2,-0.3 4,-0.0 -1,-0.1 -0.934 71.9-129.5-130.8 153.8 25.2 23.6 27.7 7 26 A Y > - 0 0 156 -2,-0.3 3,-2.6 1,-0.1 41,-0.3 -0.739 44.1 -77.2-103.5 152.2 25.2 25.3 31.1 8 27 A E T 3 S+ 0 0 109 -2,-0.3 41,-0.2 1,-0.3 -1,-0.1 -0.108 118.7 10.2 -43.4 127.9 24.3 28.9 32.0 9 28 A G T 3 S+ 0 0 34 39,-3.1 -1,-0.3 1,-0.2 2,-0.1 0.546 89.5 152.4 76.9 6.2 27.2 31.2 31.1 10 29 A Q < - 0 0 33 -3,-2.6 38,-3.1 38,-0.1 2,-0.5 -0.465 47.4-121.3 -71.8 140.7 29.1 28.5 29.2 11 30 A V E +D 47 0B 94 36,-0.2 2,-0.3 -2,-0.1 36,-0.3 -0.722 41.3 174.1 -84.3 126.9 31.4 29.7 26.5 12 31 A V E -D 46 0B 2 34,-3.9 34,-2.2 -2,-0.5 2,-0.3 -0.821 22.7-129.4-130.2 169.7 30.5 28.3 23.1 13 32 A R > - 0 0 148 -2,-0.3 3,-2.2 32,-0.2 29,-0.3 -0.788 42.2 -76.3-118.9 161.1 31.4 28.6 19.4 14 33 A A T 3 S+ 0 0 4 -2,-0.3 29,-0.2 1,-0.3 31,-0.1 -0.303 119.5 22.2 -56.8 130.0 29.4 29.1 16.2 15 34 A G T 3 S+ 0 0 0 27,-3.9 60,-3.7 1,-0.3 -1,-0.3 0.038 88.7 140.4 100.5 -26.1 27.7 25.9 15.2 16 35 A N < - 0 0 29 -3,-2.2 26,-2.4 58,-0.2 -1,-0.3 -0.171 56.5-115.1 -53.4 139.5 27.8 24.4 18.7 17 36 A I E + B 0 41A 27 24,-0.2 24,-0.3 1,-0.2 3,-0.1 -0.604 35.1 173.5 -78.4 135.9 24.7 22.4 19.8 18 37 A L E + 0 0 2 22,-3.8 -13,-2.8 1,-0.4 -12,-0.9 0.781 63.8 3.7-108.9 -44.6 22.8 24.1 22.7 19 38 A V E -AB 4 40A 0 21,-1.4 21,-2.5 -15,-0.2 2,-0.6 -0.996 53.7-151.4-148.5 140.3 19.7 22.0 23.1 20 39 A R E +A 3 0A 75 -17,-2.1 -17,-2.5 -2,-0.3 2,-0.3 -0.957 34.8 158.5-114.5 114.0 18.2 18.8 21.5 21 40 A Q - 0 0 8 -2,-0.6 -2,-0.0 16,-0.4 3,-0.0 -0.932 49.4-137.2-138.0 158.7 14.4 18.8 21.6 22 41 A R S S- 0 0 216 -2,-0.3 2,-0.2 16,-0.1 -1,-0.1 0.774 93.4 -5.0 -81.6 -29.7 11.4 17.2 19.9 23 42 A G S S- 0 0 27 15,-0.1 2,-0.8 -3,-0.1 3,-0.4 -0.430 108.4 -49.7-137.0-147.3 9.6 20.6 19.9 24 43 A T + 0 0 74 1,-0.2 3,-0.1 -2,-0.2 14,-0.0 -0.382 68.8 142.5 -95.1 55.2 10.0 24.1 21.1 25 44 A R S S+ 0 0 144 -2,-0.8 33,-0.4 1,-0.1 2,-0.3 0.936 83.4 16.5 -57.0 -45.2 10.8 23.2 24.7 26 45 A F S S- 0 0 3 -3,-0.4 33,-0.2 12,-0.2 -1,-0.1 -0.889 86.3-133.8-123.2 154.8 13.2 26.1 24.5 27 46 A K E -e 59 0B 44 31,-2.0 33,-2.1 -2,-0.3 2,-0.3 -0.863 24.6-106.3-112.5 146.1 13.1 28.9 21.8 28 47 A P E -e 60 0B 46 0, 0.0 33,-0.2 0, 0.0 2,-0.1 -0.534 43.7-179.9 -72.0 130.3 16.1 30.3 19.9 29 48 A G > - 0 0 15 31,-2.5 3,-2.0 -2,-0.3 32,-0.1 -0.214 45.8 -17.7-109.9-156.6 17.1 33.7 21.1 30 49 A K T 3 S- 0 0 160 1,-0.3 32,-2.2 -2,-0.1 -1,-0.3 -0.196 134.5 -0.2 -51.0 129.2 19.8 36.2 20.1 31 50 A N T 3 S+ 0 0 53 1,-0.2 12,-3.4 30,-0.2 13,-0.9 0.754 107.2 117.0 61.0 27.2 22.5 34.5 18.1 32 51 A V E < -C 42 0A 9 -3,-2.0 10,-0.2 10,-0.3 2,-0.2 -0.991 45.2-166.5-128.4 123.3 20.8 31.1 18.3 33 52 A G E -C 41 0A 12 8,-2.3 8,-1.9 -2,-0.4 2,-0.4 -0.561 10.9-141.1-101.0 169.9 19.5 29.3 15.3 34 53 A M E -C 40 0A 60 6,-0.2 6,-0.2 -2,-0.2 4,-0.1 -0.940 12.1-146.1-138.4 115.6 17.1 26.4 15.3 35 54 A G > - 0 0 14 4,-2.8 3,-1.6 -2,-0.4 38,-0.1 -0.031 37.0 -94.2 -68.9 178.0 17.4 23.5 12.9 36 55 A R T 3 S+ 0 0 195 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.827 127.2 57.6 -62.9 -32.8 14.5 21.5 11.4 37 56 A D T 3 S- 0 0 64 2,-0.1 -16,-0.4 1,-0.1 -1,-0.3 0.151 122.2-108.3 -84.5 19.5 14.8 19.0 14.2 38 57 A F < + 0 0 79 -3,-1.6 2,-0.2 1,-0.2 -12,-0.2 0.508 68.4 154.8 66.7 5.0 14.3 21.8 16.7 39 58 A T - 0 0 2 -19,-0.1 -4,-2.8 -5,-0.1 2,-0.4 -0.456 36.5-141.6 -67.5 132.7 17.9 21.6 17.6 40 59 A L E +BC 19 34A 0 -21,-2.5 -22,-3.8 -6,-0.2 -21,-1.4 -0.812 26.2 173.7 -97.4 133.3 19.2 24.9 19.0 41 60 A F E -BC 17 33A 5 -8,-1.9 -8,-2.3 -2,-0.4 2,-0.4 -0.954 37.0 -96.8-139.0 158.2 22.7 25.9 18.1 42 61 A A E - C 0 32A 0 -26,-2.4 -27,-3.9 -29,-0.3 -10,-0.3 -0.623 23.1-168.8 -77.6 125.1 25.0 29.0 18.5 43 62 A L S S+ 0 0 41 -12,-3.4 28,-0.3 -2,-0.4 2,-0.2 0.713 76.5 23.2 -82.0 -23.8 25.0 31.2 15.5 44 63 A V S S- 0 0 27 -13,-0.9 2,-0.5 -31,-0.1 -28,-0.1 -0.761 92.7 -89.7-133.2 178.3 27.9 33.1 16.9 45 64 A D S S+ 0 0 53 -2,-0.2 20,-0.6 -32,-0.2 2,-0.3 -0.809 76.0 87.4 -92.0 128.1 30.8 32.6 19.3 46 65 A G E S-DF 12 64B 3 -34,-2.2 -34,-3.9 -2,-0.5 2,-0.4 -0.978 72.3 -43.2 176.2-161.1 29.9 33.6 22.9 47 66 A V E -DF 11 63B 32 16,-3.0 16,-3.3 -2,-0.3 -36,-0.2 -0.830 48.9-122.2-103.7 137.2 28.4 32.8 26.2 48 67 A V E - F 0 62B 0 -38,-3.1 -39,-3.1 -2,-0.4 2,-0.4 -0.507 31.1-178.9 -76.5 140.5 25.2 30.8 26.8 49 68 A E E - F 0 61B 38 12,-2.4 12,-3.0 -2,-0.2 2,-0.4 -0.990 16.2-146.7-144.5 131.1 22.3 32.5 28.7 50 69 A F E - F 0 60B 58 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.795 15.8-174.4 -99.6 141.0 18.9 31.2 29.6 51 70 A Q E - F 0 59B 20 8,-2.6 8,-3.4 -2,-0.4 2,-0.6 -0.962 13.7-154.1-139.5 122.0 15.8 33.4 29.8 52 71 A D E + F 0 58B 35 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.822 12.4 177.4 -96.7 120.8 12.3 32.6 31.0 53 72 A R > - 0 0 61 4,-3.0 3,-2.1 -2,-0.6 5,-0.1 0.020 31.6-144.3-108.0 25.2 9.5 34.8 29.5 54 73 A G G > S+ 0 0 12 1,-0.3 3,-3.3 2,-0.2 -1,-0.3 -0.225 82.5 17.5 53.5-126.4 6.7 33.0 31.3 55 74 A R G 3 S+ 0 0 103 174,-3.0 -1,-0.3 1,-0.3 175,-0.1 0.661 129.9 57.0 -50.5 -16.0 3.5 32.8 29.2 56 75 A L G < S- 0 0 28 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.514 114.2-108.3 -96.8 -6.4 5.8 33.6 26.2 57 76 A G < - 0 0 19 -3,-3.3 -4,-3.0 2,-0.0 2,-0.6 -0.287 30.5 -69.8 106.0 168.4 8.3 30.7 26.7 58 77 A R E - F 0 52B 126 -33,-0.4 -31,-2.0 -6,-0.3 -6,-0.3 -0.915 50.4-162.2-105.9 119.9 11.8 30.0 27.8 59 78 A Y E -eF 27 51B 38 -8,-3.4 -8,-2.6 -2,-0.6 2,-0.4 -0.568 13.1-145.9-101.0 163.3 14.5 31.2 25.5 60 79 A V E -eF 28 50B 0 -33,-2.1 -31,-2.5 -10,-0.2 2,-0.3 -0.997 23.0-178.5-127.9 129.8 18.2 30.4 25.0 61 80 A H E - F 0 49B 13 -12,-3.0 -12,-2.4 -2,-0.4 2,-0.5 -0.830 23.1-140.7-125.5 166.3 20.6 33.2 23.9 62 81 A V E - F 0 48B 1 -32,-2.2 -14,-0.2 -2,-0.3 -51,-0.0 -0.965 15.5-152.2-129.4 111.2 24.3 33.5 23.1 63 82 A R E - F 0 47B 160 -16,-3.3 -16,-3.0 -2,-0.5 -32,-0.0 -0.755 21.0-127.9 -85.5 117.6 25.9 36.7 24.3 64 83 A P E - F 0 46B 81 0, 0.0 2,-0.2 0, 0.0 -18,-0.2 -0.158 29.0-123.1 -56.9 161.5 28.9 37.6 22.1 65 84 A L 0 0 123 -20,-0.6 -20,-0.1 1,-0.2 -54,-0.0 -0.711 360.0 360.0-112.0 163.2 32.1 38.2 24.0 66 85 A A 0 0 170 -2,-0.2 -1,-0.2 0, 0.0 -20,-0.0 0.950 360.0 360.0 68.7 360.0 34.6 41.1 24.2 67 !* 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 68 20 B R 0 0 243 0, 0.0 19,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.8 19.2 35.7 5.6 69 21 B L + 0 0 73 17,-0.1 19,-0.2 3,-0.0 2,-0.1 0.038 360.0 79.3 -50.2 161.0 22.8 35.8 6.7 70 22 B G E S-G 87 0C 15 17,-2.6 17,-2.0 -37,-0.0 2,-0.3 -0.386 83.6 -57.1 121.6 160.7 24.1 33.4 9.3 71 23 B V E -G 86 0C 3 -28,-0.3 15,-0.2 15,-0.2 -56,-0.1 -0.576 43.0-169.5 -73.1 136.7 25.3 29.9 10.0 72 24 B K + 0 0 68 13,-2.3 2,-0.3 -2,-0.3 14,-0.2 0.623 59.0 53.0-105.0 -18.3 22.5 27.4 9.0 73 25 B R S S- 0 0 23 12,-1.0 2,-0.3 -38,-0.1 -40,-0.1 -0.818 70.3-130.1-120.5 159.8 23.7 24.1 10.4 74 26 B Y > - 0 0 11 -2,-0.3 3,-2.4 1,-0.1 41,-0.2 -0.731 45.5 -75.2-106.7 157.4 24.8 22.8 13.8 75 27 B E T 3 S+ 0 0 67 -60,-3.7 41,-0.2 -2,-0.3 -1,-0.1 -0.253 118.4 8.3 -51.3 124.4 28.0 20.9 14.6 76 28 B G T 3 S+ 0 0 35 39,-3.2 -1,-0.3 1,-0.3 40,-0.1 0.505 88.8 151.1 83.2 4.6 27.5 17.3 13.5 77 29 B Q < - 0 0 9 -3,-2.4 38,-3.0 38,-0.1 2,-0.6 -0.436 48.4-118.2 -71.7 142.6 24.2 17.8 11.7 78 30 B V E -J 114 0D 93 36,-0.2 2,-0.3 -2,-0.1 36,-0.3 -0.706 39.2-179.4 -84.7 121.7 23.5 15.5 8.7 79 31 B V E -J 113 0D 0 34,-2.6 34,-2.7 -2,-0.6 2,-0.2 -0.843 20.4-130.1-122.3 160.2 23.2 17.3 5.4 80 32 B R > - 0 0 160 -2,-0.3 3,-2.0 32,-0.2 29,-0.3 -0.605 44.6 -76.9-102.0 162.6 22.5 16.4 1.8 81 33 B A T 3 S+ 0 0 54 1,-0.3 29,-0.2 -2,-0.2 31,-0.1 -0.388 119.5 22.3 -60.5 129.3 24.5 17.4 -1.3 82 34 B G T 3 S+ 0 0 53 27,-4.4 -1,-0.3 1,-0.3 2,-0.2 0.376 87.1 143.9 95.3 -3.7 23.6 21.0 -2.2 83 35 B N < - 0 0 36 -3,-2.0 26,-2.3 26,-0.2 -1,-0.3 -0.464 56.1-112.5 -73.4 139.5 22.5 22.1 1.2 84 36 B I E + H 0 108C 54 24,-0.2 24,-0.3 -2,-0.2 3,-0.1 -0.518 35.0 175.8 -69.4 131.7 23.2 25.6 2.4 85 37 B L E - 0 0 1 22,-2.4 -13,-2.3 1,-0.4 -12,-1.0 0.761 65.2 -1.7-104.5 -39.3 25.7 25.5 5.3 86 38 B V E -GH 71 107C 0 21,-1.0 21,-1.8 -15,-0.2 2,-0.5 -0.993 54.2-146.6-154.8 147.1 26.3 29.2 5.8 87 39 B R E +G 70 0C 87 -17,-2.0 -17,-2.6 -2,-0.3 2,-0.3 -0.976 33.6 158.0-117.7 120.8 25.2 32.5 4.3 88 40 B Q - 0 0 10 -2,-0.5 -2,-0.1 16,-0.5 3,-0.0 -0.991 45.4-142.9-145.5 151.5 27.8 35.3 4.4 89 41 B R S S+ 0 0 197 -2,-0.3 2,-0.2 16,-0.1 -1,-0.1 0.786 95.2 11.9 -80.8 -30.2 28.6 38.6 2.6 90 42 B G S S- 0 0 33 15,-0.1 2,-0.9 14,-0.1 3,-0.3 -0.421 109.1 -67.2-125.6-157.3 32.3 37.8 2.8 91 43 B T + 0 0 55 1,-0.2 34,-0.2 -2,-0.2 3,-0.1 -0.436 65.5 147.6 -98.1 59.2 34.4 34.8 3.7 92 44 B R S S+ 0 0 85 -2,-0.9 2,-0.4 1,-0.2 33,-0.3 0.889 79.6 26.5 -56.9 -38.3 33.5 34.7 7.3 93 45 B F S S- 0 0 4 -3,-0.3 33,-0.2 12,-0.2 -1,-0.2 -0.976 83.9-137.2-126.6 140.1 33.9 30.9 6.9 94 46 B K E -k 126 0D 61 31,-3.2 33,-1.8 -2,-0.4 2,-0.4 -0.688 33.9 -97.0 -95.7 150.2 36.1 29.2 4.4 95 47 B P E -k 127 0D 50 0, 0.0 33,-0.1 0, 0.0 3,-0.1 -0.512 46.9-168.5 -67.7 118.2 35.0 26.1 2.4 96 48 B G > - 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