==== 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 TRANSFERASE 05-DEC-03 1V6Z . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TTHA0657; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB8; . AUTHOR K.MURAYAMA,M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTURAL . 452 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 7.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 2 0 0 0 2 1 1 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 2 4 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 . 2 0 0 0 2 1 1 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 2 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 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 25,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 27.8 2.3 -18.0 55.8 2 3 A P + 0 0 129 0, 0.0 2,-0.3 0, 0.0 32,-0.1 -0.274 360.0 169.3 -62.8 146.6 2.5 -14.2 56.5 3 4 A H - 0 0 55 30,-0.1 32,-3.2 2,-0.0 2,-0.5 -0.982 25.7-144.1-157.4 145.3 4.7 -12.1 54.3 4 5 A R E -a 35 0A 110 -2,-0.3 2,-0.4 30,-0.2 32,-0.2 -0.964 17.0-165.1-117.5 127.9 5.2 -8.4 53.6 5 6 A A E -a 36 0A 2 30,-3.3 32,-1.8 -2,-0.5 2,-0.3 -0.930 23.9-118.7-116.2 136.7 6.0 -7.1 50.1 6 7 A F E +a 37 0A 15 -2,-0.4 32,-0.2 30,-0.2 12,-0.2 -0.561 38.3 168.5 -70.6 126.4 7.4 -3.7 49.1 7 8 A S > - 0 0 0 30,-2.6 3,-2.9 -2,-0.3 5,-0.1 -0.753 32.8-131.3-145.0 91.5 4.9 -1.9 46.9 8 9 A P G > S- 0 0 53 0, 0.0 3,-0.6 0, 0.0 5,-0.1 -0.184 91.4 -2.2 -48.1 115.2 5.6 1.8 46.3 9 10 A G G 3 S- 0 0 29 1,-0.2 29,-0.1 32,-0.1 0, 0.0 0.383 101.5-103.4 83.9 -3.8 2.4 3.7 46.9 10 11 A L G < + 0 0 9 -3,-2.9 -1,-0.2 27,-0.1 48,-0.1 0.927 65.5 161.8 48.9 49.1 0.3 0.6 47.7 11 12 A T < - 0 0 96 -3,-0.6 -1,-0.1 2,-0.3 3,-0.1 0.513 59.9-101.6 -79.9 -7.8 -1.2 1.0 44.2 12 13 A G S S+ 0 0 14 1,-0.2 44,-2.5 -5,-0.1 2,-0.4 0.348 98.3 87.8 102.2 -6.6 -2.6 -2.5 43.8 13 14 A V B -B 55 0A 45 42,-0.2 -2,-0.3 -5,-0.1 42,-0.2 -0.995 66.9-143.0-130.0 131.4 0.2 -3.7 41.6 14 15 A L - 0 0 4 40,-2.9 -7,-0.1 -2,-0.4 40,-0.1 -0.561 26.9-101.1 -90.6 155.7 3.5 -5.2 42.9 15 16 A P > - 0 0 40 0, 0.0 4,-2.0 0, 0.0 39,-0.3 -0.327 39.2-107.5 -68.3 159.6 6.9 -4.7 41.4 16 17 A L H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.846 117.2 54.5 -59.8 -35.3 8.2 -7.6 39.3 17 18 A R H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.973 111.3 42.7 -64.3 -52.6 10.7 -8.7 41.9 18 19 A E H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.821 112.6 57.1 -60.7 -33.3 8.2 -9.0 44.7 19 20 A T H X S+ 0 0 4 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.969 107.0 45.5 -62.6 -54.8 5.7 -10.7 42.3 20 21 A R H X>S+ 0 0 153 -4,-2.4 4,-2.4 1,-0.2 5,-1.1 0.868 112.9 51.9 -57.5 -38.7 8.1 -13.5 41.3 21 22 A H H <>S+ 0 0 81 -4,-1.9 5,-2.6 3,-0.2 4,-0.4 0.887 115.0 40.4 -66.0 -42.0 9.0 -14.1 45.0 22 23 A L H <5S+ 0 0 0 -4,-2.0 6,-3.0 3,-0.2 -2,-0.2 0.915 127.2 33.5 -73.2 -44.6 5.4 -14.3 46.1 23 24 A V H <5S+ 0 0 42 -4,-3.1 4,-0.4 4,-0.3 -3,-0.2 0.961 129.8 30.7 -76.8 -56.7 4.2 -16.3 43.1 24 25 A E T <5S+ 0 0 142 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.922 133.8 24.9 -72.7 -47.1 7.3 -18.5 42.3 25 26 A V T - 0 0 127 20,-0.0 3,-2.1 18,-0.0 18,-0.3 -0.929 35.3 -78.7-138.1 159.5 -2.6 -17.8 44.8 30 31 A V T 3 S+ 0 0 92 -2,-0.3 18,-0.2 1,-0.3 3,-0.1 -0.360 119.1 30.4 -59.2 136.0 -5.6 -15.6 44.1 31 32 A G T 3 S+ 0 0 34 16,-2.6 -1,-0.3 1,-0.4 17,-0.1 0.111 88.7 130.3 99.2 -21.4 -7.4 -15.0 47.4 32 33 A D < - 0 0 49 -3,-2.1 15,-2.9 14,-0.1 2,-0.4 -0.292 50.3-135.9 -65.5 150.8 -4.3 -15.2 49.5 33 34 A R E + C 0 46A 141 13,-0.2 2,-0.3 -3,-0.1 13,-0.2 -0.882 33.4 148.4-114.0 143.4 -3.7 -12.4 52.0 34 35 A F E - C 0 45A 6 11,-2.0 11,-3.7 -2,-0.4 2,-0.4 -0.928 42.4 -91.4-156.9 177.3 -0.4 -10.7 52.7 35 36 A T E -aC 4 44A 23 -32,-3.2 -30,-3.3 -2,-0.3 2,-0.4 -0.852 28.2-166.8-107.5 136.2 1.1 -7.3 53.8 36 37 A V E +aC 5 43A 0 7,-2.6 7,-2.2 -2,-0.4 2,-0.3 -0.915 15.6 163.8-116.8 147.4 2.1 -4.5 51.5 37 38 A F E -aC 6 42A 20 -32,-1.8 -30,-2.6 -2,-0.4 5,-0.2 -0.983 26.7-174.8-156.8 161.8 4.2 -1.5 52.6 38 39 A D - 0 0 30 3,-1.9 4,-0.1 -2,-0.3 347,-0.1 0.223 61.1 -92.3-148.0 17.2 6.4 1.3 51.2 39 40 A G S S+ 0 0 17 2,-0.5 3,-0.1 346,-0.1 394,-0.1 0.096 123.5 53.4 92.8 -27.4 8.0 3.2 54.1 40 41 A E S S+ 0 0 120 1,-0.3 2,-0.3 23,-0.0 -1,-0.1 0.766 117.9 10.4-104.1 -45.6 5.1 5.7 54.3 41 42 A R - 0 0 103 22,-0.1 -3,-1.9 2,-0.0 -2,-0.5 -0.817 57.4-163.3-132.3 172.4 2.1 3.4 54.6 42 43 A E E +CD 37 62A 19 20,-0.9 20,-3.3 -2,-0.3 2,-0.3 -0.979 11.6 172.0-153.9 153.3 1.2 -0.3 55.1 43 44 A A E -CD 36 61A 0 -7,-2.2 -7,-2.6 -2,-0.3 2,-0.4 -0.987 37.1-107.3-164.0 155.8 -1.9 -2.4 54.6 44 45 A L E -CD 35 60A 27 16,-2.4 15,-2.8 -2,-0.3 16,-1.3 -0.742 47.6-171.2 -84.1 132.6 -3.3 -5.9 54.6 45 46 A A E -CD 34 58A 0 -11,-3.7 -11,-2.0 -2,-0.4 2,-0.4 -0.808 20.5-143.6-126.2 167.1 -3.9 -7.0 51.0 46 47 A E E -CD 33 57A 34 11,-1.9 11,-2.1 -2,-0.3 -13,-0.2 -0.999 29.3-112.9-132.3 130.4 -5.5 -9.8 49.1 47 48 A V E + D 0 56A 1 -15,-2.9 -16,-2.6 -2,-0.4 9,-0.3 -0.441 36.5 169.7 -64.2 127.2 -4.2 -11.3 45.8 48 49 A V E + 0 0 76 7,-2.9 2,-0.3 1,-0.4 8,-0.2 0.695 69.1 6.0-107.8 -31.3 -6.5 -10.5 42.9 49 50 A D E - D 0 55A 78 6,-2.1 6,-3.0 -20,-0.1 -1,-0.4 -0.942 53.0-147.8-157.4 129.9 -4.4 -11.6 40.0 50 51 A L + 0 0 46 -2,-0.3 -27,-0.1 1,-0.2 4,-0.1 0.663 51.8 148.0 -73.7 -14.7 -1.0 -13.3 39.8 51 52 A G - 0 0 44 1,-0.2 -1,-0.2 3,-0.1 3,-0.2 -0.447 66.7 -90.0 62.9-118.7 -0.3 -11.4 36.6 52 53 A P S S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.519 130.7 47.2 -80.4 156.9 2.6 -10.8 36.4 53 54 A P S S- 0 0 43 0, 0.0 2,-0.2 0, 0.0 -37,-0.1 0.575 107.7-122.6 -73.5 160.0 2.9 -8.3 37.8 54 55 A L - 0 0 0 -39,-0.3 -40,-2.9 -3,-0.2 2,-0.4 -0.497 24.6-156.0 -73.2 135.7 0.7 -9.4 40.7 55 56 A R E +BD 13 49A 134 -6,-3.0 -7,-2.9 -42,-0.2 -6,-2.1 -0.884 16.5 171.2-113.2 145.1 -2.3 -7.3 41.4 56 57 A Y E - D 0 47A 10 -44,-2.5 2,-0.4 -2,-0.4 -9,-0.2 -0.925 26.7-125.9-146.7 166.9 -4.1 -7.0 44.8 57 58 A R E - D 0 46A 120 -11,-2.1 -11,-1.9 -2,-0.3 2,-0.6 -0.931 30.7-113.0-119.4 144.2 -6.8 -5.1 46.6 58 59 A V E - D 0 45A 58 -2,-0.4 -13,-0.2 -13,-0.2 3,-0.1 -0.658 27.5-177.8 -79.5 118.0 -6.3 -3.3 50.0 59 60 A L E - 0 0 45 -15,-2.8 2,-0.3 -2,-0.6 -14,-0.2 0.876 68.8 -13.9 -82.2 -39.8 -8.3 -4.9 52.8 60 61 A E E - D 0 44A 95 -16,-1.3 -16,-2.4 2,-0.0 -1,-0.3 -0.904 64.7-115.3-167.7 136.2 -7.3 -2.4 55.5 61 62 A E E - D 0 43A 99 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.446 34.4-169.3 -71.7 142.9 -4.8 0.4 56.1 62 63 A R E - D 0 42A 100 -20,-3.3 -20,-0.9 -2,-0.1 -2,-0.0 -0.961 25.2-108.5-135.7 152.4 -2.3 -0.2 58.9 63 64 A R - 0 0 223 -2,-0.3 -22,-0.1 -22,-0.1 -20,-0.0 -0.616 36.6-118.1 -79.2 130.3 0.3 1.9 60.7 64 65 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -22,-0.1 -0.389 34.4-106.3 -65.0 149.9 3.9 1.2 59.9 65 66 A E + 0 0 136 1,-0.2 68,-0.0 68,-0.0 3,-0.0 -0.678 47.1 168.0 -77.3 127.9 5.8 0.0 63.0 66 67 A R + 0 0 30 -2,-0.4 2,-0.2 366,-0.0 -1,-0.2 0.614 40.5 88.3-115.7 -21.0 8.1 2.9 64.0 67 68 A E S S- 0 0 49 1,-0.1 29,-0.1 364,-0.1 364,-0.0 -0.492 73.3-128.3 -86.8 154.2 9.5 2.1 67.4 68 69 A V - 0 0 4 27,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.849 46.8-121.7 -65.1 -35.2 12.6 0.1 68.3 69 70 A G S S+ 0 0 64 1,-0.3 2,-0.3 3,-0.0 -1,-0.1 0.318 83.5 52.4 112.5 -11.2 10.5 -2.0 70.6 70 71 A V S S- 0 0 33 103,-0.1 -1,-0.3 105,-0.0 -2,-0.2 -0.922 100.8 -74.6-146.0 164.3 12.2 -1.5 73.9 71 72 A E - 0 0 92 -2,-0.3 104,-3.5 -3,-0.1 2,-0.5 -0.409 40.6-166.1 -66.5 139.5 13.2 1.6 75.8 72 73 A V E -e 175 0B 0 102,-0.2 25,-3.1 23,-0.2 26,-1.7 -0.938 8.0-173.5-130.6 105.7 16.2 3.5 74.3 73 74 A V E -ef 176 98B 17 102,-3.2 104,-2.6 -2,-0.5 2,-0.7 -0.902 11.0-155.5-108.6 120.2 17.6 6.0 76.7 74 75 A L E -ef 177 99B 0 24,-2.8 26,-3.2 -2,-0.5 2,-0.8 -0.837 4.3-168.1 -96.9 115.4 20.4 8.4 75.7 75 76 A Y E +ef 178 100B 22 102,-3.6 104,-2.3 -2,-0.7 2,-0.4 -0.905 23.0 172.8-100.0 108.2 22.5 9.8 78.6 76 77 A V E -ef 179 101B 2 24,-1.9 26,-2.3 -2,-0.8 104,-0.2 -0.974 32.1-116.9-129.2 134.4 24.5 12.6 77.0 77 78 A A E - 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0 0 0 -5,-2.8 -1,-0.2 1,-0.1 -23,-0.2 -0.249 20.5-169.8 -56.0 144.8 15.5 7.2 71.2 97 98 A T S S+ 0 0 14 -25,-3.1 41,-2.2 1,-0.3 2,-0.3 0.575 72.2 24.5-110.4 -17.4 12.6 7.2 73.7 98 99 A R E -fg 73 138B 64 -26,-1.7 -24,-2.8 39,-0.3 2,-0.5 -0.995 60.9-161.0-150.6 140.3 14.2 9.3 76.4 99 100 A I E -fg 74 139B 3 39,-2.9 41,-2.5 -2,-0.3 -24,-0.2 -0.983 7.3-173.5-128.6 120.4 17.1 11.8 76.4 100 101 A Q E -f 75 0B 17 -26,-3.2 -24,-1.9 -2,-0.5 2,-0.1 -0.919 13.9-148.7-117.9 104.3 18.8 12.7 79.6 101 102 A P E -f 76 0B 1 0, 0.0 42,-1.5 0, 0.0 2,-0.4 -0.434 19.3-149.7 -68.4 144.7 21.4 15.6 79.5 102 103 A L E -fh 77 143B 0 -26,-2.3 -24,-2.6 40,-0.2 2,-0.7 -0.952 15.7-140.6-124.7 140.6 24.3 15.1 82.0 103 104 A V E + h 0 144B 38 40,-2.3 42,-1.7 -2,-0.4 2,-0.3 -0.850 39.1 176.9 -91.4 121.0 26.5 17.5 83.9 104 105 A T > - 0 0 6 -2,-0.7 3,-0.8 40,-0.1 81,-0.0 -0.762 45.3 -97.2-123.3 171.9 29.9 15.9 83.7 105 106 A R T 3 S+ 0 0 150 -2,-0.3 80,-0.1 1,-0.2 -1,-0.1 0.911 124.1 27.3 -52.3 -47.0 33.4 16.8 84.9 106 107 A H T 3 S+ 0 0 86 78,-0.3 77,-0.4 -3,-0.0 2,-0.3 0.324 86.6 123.6-101.1 7.3 34.4 18.2 81.5 107 108 A S < - 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