==== 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 TRANSFERASE 05-JUN-08 3DDD . COMPND 2 MOLECULE: PUTATIVE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 281 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 23.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 1 0 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 3 3 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 0 0 0 0 0 0 0 1 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 -11 A H 0 0 123 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.4 44.8 48.0 -0.8 2 -10 A H + 0 0 165 1,-0.3 2,-0.4 0, 0.0 0, 0.0 0.373 360.0 54.4-155.7 -68.0 45.5 46.3 -4.1 3 -9 A H - 0 0 144 2,-0.0 2,-0.6 1,-0.0 -1,-0.3 -0.799 57.8-160.8-102.6 132.2 44.5 42.5 -4.5 4 -8 A H + 0 0 173 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.0 -0.865 12.1 175.0-120.8 98.2 41.0 41.3 -3.9 5 -7 A H - 0 0 153 -2,-0.6 4,-0.1 1,-0.1 -2,-0.0 -0.892 16.9-160.0-106.5 123.7 40.5 37.6 -3.2 6 -6 A E + 0 0 185 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.154 69.5 64.0 -97.4 21.0 36.9 36.6 -2.2 7 -5 A N S S- 0 0 94 1,-0.0 -2,-0.1 7,-0.0 3,-0.1 -0.970 94.2 -88.5-131.9 157.6 37.8 33.3 -0.7 8 -4 A L - 0 0 107 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.167 48.6-110.3 -43.5 147.0 39.9 32.2 2.4 9 -3 A Y + 0 0 195 -4,-0.1 2,-0.2 3,-0.1 -1,-0.1 -0.774 43.5 167.5 -86.6 131.3 43.6 31.7 1.6 10 -2 A F S > S- 0 0 39 -2,-0.4 3,-2.4 3,-0.4 -2,-0.0 -0.743 71.3 -49.2-146.7 94.9 44.7 28.0 1.7 11 -1 A Q T 3 S- 0 0 78 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.731 101.6 -67.2 53.4 28.5 48.1 27.2 0.3 12 0 A G T 3 S+ 0 0 42 1,-0.2 52,-0.4 51,-0.1 -1,-0.3 0.650 103.3 132.9 67.6 16.7 47.4 29.1 -3.0 13 1 A X < - 0 0 22 -3,-2.4 2,-0.4 50,-0.1 -3,-0.4 -0.538 53.2-134.9 -98.5 164.8 44.7 26.6 -3.9 14 2 A I E -A 62 0A 91 48,-2.6 48,-3.3 -2,-0.2 2,-0.5 -0.973 16.9-169.8-116.5 128.7 41.2 26.9 -5.2 15 3 A I E +A 61 0A 11 -2,-0.4 2,-0.3 46,-0.2 46,-0.2 -0.991 21.8 152.5-121.3 128.3 38.5 24.8 -3.7 16 4 A R E -A 60 0A 93 44,-2.5 44,-3.0 -2,-0.5 2,-0.2 -0.935 48.1 -77.2-148.7 168.6 35.1 24.8 -5.4 17 5 A Y E -A 59 0A 112 -2,-0.3 42,-0.2 42,-0.2 2,-0.1 -0.540 48.4-130.1 -68.3 132.1 31.9 22.9 -6.1 18 6 A A - 0 0 4 40,-3.2 40,-0.3 -2,-0.2 -1,-0.1 -0.456 21.3-166.8 -75.0 153.9 32.3 20.2 -8.8 19 7 A T > - 0 0 61 -2,-0.1 3,-2.1 37,-0.1 32,-0.0 -0.779 44.5 -90.1-125.9 175.4 30.0 20.0 -11.8 20 8 A P G > S+ 0 0 95 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.718 122.6 70.6 -63.9 -16.4 29.6 17.1 -14.2 21 9 A D G 3 S+ 0 0 152 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.695 93.1 59.4 -67.2 -16.1 32.3 18.8 -16.4 22 10 A D G <> S+ 0 0 13 -3,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.288 72.5 106.4 -92.0 9.8 34.8 17.8 -13.7 23 11 A I H <> S+ 0 0 10 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.886 76.9 50.9 -61.1 -43.1 34.1 14.1 -14.0 24 12 A E H > S+ 0 0 90 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.936 112.4 47.1 -62.6 -44.8 37.4 13.2 -15.7 25 13 A D H > S+ 0 0 56 2,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.900 111.1 51.0 -61.7 -41.8 39.4 15.1 -13.1 26 14 A X H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.944 111.0 49.5 -60.8 -46.2 37.5 13.5 -10.2 27 15 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.884 110.4 50.1 -59.4 -41.8 38.2 10.1 -11.8 28 16 A S H X S+ 0 0 36 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.910 111.0 48.7 -64.7 -43.6 41.9 10.8 -12.1 29 17 A I H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.941 113.2 48.4 -57.3 -47.0 42.2 12.0 -8.5 30 18 A F H X S+ 0 0 34 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.897 110.8 48.4 -65.5 -42.2 40.4 8.8 -7.4 31 19 A I H X>S+ 0 0 40 -4,-2.4 5,-1.6 2,-0.2 4,-0.6 0.871 116.9 43.8 -68.0 -43.9 42.5 6.4 -9.4 32 20 A D H ><5S+ 0 0 44 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.988 116.8 44.9 -55.7 -64.7 45.7 8.1 -8.2 33 21 A A H 3<5S+ 0 0 10 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.884 124.0 33.7 -54.7 -43.8 44.6 8.3 -4.6 34 22 A Y H 3<5S- 0 0 110 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.398 101.2-127.5 -96.5 4.0 43.2 4.7 -4.4 35 23 A N T <<5 - 0 0 103 -3,-1.4 -3,-0.2 -4,-0.6 -4,-0.1 0.922 37.2-168.7 51.0 50.7 45.8 3.1 -6.8 36 24 A F < - 0 0 61 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.0 -0.592 20.8-177.0 -82.5 118.0 42.9 1.7 -8.7 37 25 A P + 0 0 128 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.616 53.9 96.5 -90.9 -7.6 44.1 -0.9 -11.2 38 26 A G S S- 0 0 30 1,-0.2 2,-0.1 2,-0.1 5,-0.0 0.065 88.7 -63.1 -72.3-178.4 40.6 -1.5 -12.7 39 27 A P >> - 0 0 92 0, 0.0 3,-0.7 0, 0.0 4,-0.7 -0.426 39.2-132.0 -73.1 144.1 39.0 0.1 -15.8 40 28 A R H >> S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 3,-1.2 0.888 101.5 62.7 -57.9 -50.3 38.4 3.8 -15.9 41 29 A E H 3> S+ 0 0 89 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.777 94.3 65.4 -49.9 -32.7 34.8 3.7 -17.0 42 30 A S H <> S+ 0 0 44 -3,-0.7 4,-1.4 2,-0.2 -1,-0.3 0.948 107.9 37.8 -55.4 -51.0 34.0 1.9 -13.9 43 31 A V H < - 0 0 15 -4,-2.7 3,-2.2 -5,-0.2 4,-0.3 -0.701 66.8-178.4-142.9 82.7 24.0 15.1 -4.7 55 43 A P T 3 S+ 0 0 85 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.806 91.0 36.0 -53.9 -34.1 24.6 17.6 -7.5 56 44 A D T 3 S+ 0 0 86 1,-0.2 -5,-0.1 -39,-0.1 -37,-0.1 -0.079 95.2 96.4-104.7 28.8 26.2 20.1 -5.1 57 45 A G < + 0 0 1 -3,-2.2 16,-1.7 -6,-0.1 2,-0.6 0.569 60.6 84.6 -98.4 -9.3 27.9 17.5 -3.0 58 46 A C E - B 0 72A 1 -3,-0.3 -40,-3.2 -40,-0.3 2,-0.4 -0.863 52.7-167.0-109.6 121.2 31.4 17.4 -4.4 59 47 A L E -AB 17 71A 9 12,-2.4 12,-1.7 -2,-0.6 2,-0.4 -0.877 9.7-163.5 -98.7 133.8 34.2 19.8 -3.4 60 48 A L E -AB 16 70A 0 -44,-3.0 -44,-2.5 -2,-0.4 2,-0.4 -0.973 7.1-149.3-121.6 135.9 37.3 19.8 -5.6 61 49 A A E -AB 15 69A 0 8,-3.3 7,-3.0 -2,-0.4 8,-1.5 -0.904 16.8-172.5-109.2 129.1 40.8 21.3 -4.7 62 50 A F E -AB 14 67A 13 -48,-3.3 -48,-2.6 -2,-0.4 2,-0.6 -0.959 20.7-160.3-124.5 134.7 42.9 22.8 -7.4 63 51 A L E > S- B 0 66A 43 3,-2.4 3,-1.2 -2,-0.4 -50,-0.1 -0.916 87.3 -33.2-111.0 97.6 46.5 24.0 -7.4 64 52 A K T 3 S- 0 0 169 -2,-0.6 -1,-0.1 -52,-0.4 -51,-0.1 0.965 122.7 -44.7 55.5 64.1 46.6 26.2 -10.5 65 53 A D T 3 S+ 0 0 137 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.327 113.0 116.5 68.5 -10.9 44.2 24.2 -12.7 66 54 A E E < -B 63 0A 76 -3,-1.2 -3,-2.4 1,-0.0 2,-0.4 -0.815 69.3-129.6 -85.3 122.3 45.8 20.9 -11.7 67 55 A P E +B 62 0A 9 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.660 39.5 162.2 -76.3 129.0 43.2 18.9 -9.9 68 56 A V E + 0 0 0 -7,-3.0 20,-2.7 -2,-0.4 2,-0.3 0.722 50.8 11.9-119.3 -34.5 44.6 17.7 -6.6 69 57 A G E +BC 61 87A 0 -8,-1.5 -8,-3.3 18,-0.2 -1,-0.3 -0.992 51.6 178.6-156.5 153.3 41.9 16.6 -4.2 70 58 A X E +BC 60 86A 2 16,-2.5 16,-2.0 -2,-0.3 2,-0.3 -0.976 3.4 171.9-152.0 164.0 38.2 15.9 -3.8 71 59 A G E -B 59 0A 0 -12,-1.7 -12,-2.4 -2,-0.3 2,-0.3 -0.953 15.1-141.7-170.3 162.6 35.5 14.8 -1.4 72 60 A C E -BC 58 83A 3 11,-2.3 11,-2.1 -2,-0.3 2,-0.4 -0.962 6.1-159.9-137.2 149.2 31.7 14.4 -1.2 73 61 A I E - C 0 82A 1 -16,-1.7 2,-0.5 -2,-0.3 9,-0.2 -0.972 11.2-164.0-122.9 135.2 28.8 14.8 1.2 74 62 A F E - C 0 81A 1 7,-2.3 7,-2.5 -2,-0.4 2,-0.4 -0.992 13.2-146.3-122.7 119.8 25.5 13.0 0.6 75 63 A F E + C 0 80A 13 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.736 22.1 167.7 -93.4 132.1 22.3 14.2 2.4 76 64 A Y - 0 0 11 3,-2.9 100,-0.1 -2,-0.4 98,-0.0 -0.416 55.0 -81.3-113.8-159.1 19.4 12.2 3.7 77 65 A N S S+ 0 0 108 98,-0.2 3,-0.1 -2,-0.2 97,-0.1 0.883 120.8 11.3 -78.9 -36.9 16.7 13.4 6.1 78 66 A K S S+ 0 0 95 1,-0.1 36,-0.6 34,-0.1 35,-0.5 0.525 129.4 27.4-118.2 -18.5 18.5 13.0 9.4 79 67 A Q E - d 0 114A 0 34,-0.1 -3,-2.9 33,-0.1 2,-0.3 -0.930 58.1-143.8-142.7 162.4 22.1 12.3 8.5 80 68 A A E -Cd 75 115A 0 34,-1.4 36,-2.7 -2,-0.3 2,-0.4 -0.956 15.1-141.7-124.8 151.4 24.7 12.9 5.8 81 69 A W E -Cd 74 116A 0 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.5 -0.936 6.8-150.3-107.4 134.1 27.4 10.6 4.6 82 70 A I E +Cd 73 117A 4 34,-2.3 36,-0.5 -2,-0.4 2,-0.3 -0.923 35.1 146.9-102.0 127.7 30.9 11.8 3.7 83 71 A G E +C 72 0A 7 -11,-2.1 -11,-2.3 -2,-0.5 196,-0.1 -0.899 34.4 51.5-145.3 174.0 32.6 9.7 1.1 84 72 A L E + 0 0 23 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.731 61.0 171.0 67.1 26.6 35.0 9.6 -1.9 85 73 A X E + 0 0 17 -14,-0.1 2,-0.3 -13,-0.1 -14,-0.2 -0.499 9.2 154.9 -66.7 136.4 37.8 11.5 -0.1 86 74 A G E -C 70 0A 9 -16,-2.0 -16,-2.5 -2,-0.2 2,-0.4 -0.915 26.8-174.0-169.6 128.8 41.0 11.5 -2.2 87 75 A V E -C 69 0A 17 -2,-0.3 -18,-0.2 -18,-0.2 5,-0.1 -0.999 41.9-103.9-128.7 134.5 44.2 13.5 -2.7 88 76 A K > - 0 0 24 -20,-2.7 3,-2.7 -2,-0.4 4,-0.4 -0.274 34.6-115.9 -58.3 139.5 46.6 12.7 -5.4 89 77 A K G > S+ 0 0 92 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.793 112.8 59.0 -53.4 -35.9 49.7 10.9 -3.9 90 78 A A G 3 S+ 0 0 74 1,-0.2 -1,-0.3 -22,-0.0 -2,-0.1 0.644 112.5 41.0 -64.4 -15.8 52.1 13.7 -4.8 91 79 A Y G < S+ 0 0 54 -3,-2.7 3,-0.5 -23,-0.2 5,-0.4 0.323 89.1 120.0-118.2 5.0 50.0 16.1 -2.8 92 80 A Q < + 0 0 65 -3,-1.2 -4,-0.0 -4,-0.4 -3,-0.0 -0.244 62.6 30.4 -71.8 158.4 49.2 14.0 0.2 93 81 A R S S+ 0 0 248 1,-0.1 -1,-0.2 -6,-0.0 -4,-0.0 0.780 88.8 96.7 67.4 34.2 50.2 14.8 3.8 94 82 A R S S- 0 0 120 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.164 103.3 -90.6-132.9 21.6 50.2 18.6 3.5 95 83 A G S > S+ 0 0 32 3,-0.0 4,-1.9 4,-0.0 5,-0.1 0.417 90.3 118.6 91.8 0.0 46.7 19.4 4.9 96 84 A I H > S+ 0 0 4 -5,-0.4 4,-2.3 2,-0.2 5,-0.2 0.949 77.8 46.2 -68.7 -48.7 44.6 19.3 1.7 97 85 A G H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 110.4 54.3 -58.2 -44.1 42.3 16.4 2.7 98 86 A T H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 110.3 47.5 -54.8 -45.0 41.7 18.0 6.1 99 87 A E H X S+ 0 0 20 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.902 110.8 48.7 -65.4 -48.5 40.6 21.3 4.5 100 88 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.951 113.5 49.3 -56.0 -44.7 38.2 19.7 2.0 101 89 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.919 107.2 54.0 -64.0 -43.8 36.7 17.7 4.9 102 90 A R H X S+ 0 0 73 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.884 109.9 48.4 -51.2 -45.4 36.4 20.8 7.0 103 91 A R H X S+ 0 0 29 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.891 109.9 50.7 -67.8 -40.0 34.4 22.5 4.2 104 92 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.896 110.5 49.8 -62.2 -41.6 32.2 19.5 3.8 105 93 A L H X S+ 0 0 7 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.791 106.1 57.1 -64.9 -35.5 31.4 19.4 7.5 106 94 A E H X S+ 0 0 96 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.880 110.7 42.9 -63.3 -45.0 30.6 23.1 7.3 107 95 A I H X S+ 0 0 25 -4,-1.7 4,-0.5 2,-0.2 3,-0.3 0.865 115.5 50.1 -63.4 -45.2 28.0 22.5 4.7 108 96 A G H >X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 3,-1.0 0.870 103.1 57.9 -65.4 -42.6 26.7 19.4 6.6 109 97 A R H 3< S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.748 100.5 57.7 -61.3 -31.0 26.3 21.0 10.0 110 98 A R H 3< S+ 0 0 175 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.742 119.6 29.4 -67.0 -29.0 23.9 23.7 8.6 111 99 A K H << S+ 0 0 130 -3,-1.0 2,-0.3 -4,-0.5 -2,-0.2 0.802 122.2 25.0-104.6 -37.6 21.6 21.0 7.4 112 100 A V < - 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