==== 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 30-DEC-08 2KCW . COMPND 2 MOLECULE: UNCHARACTERIZED ACETYLTRANSFERASE YJAB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.LU,X.WANG,C.JIN . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 21.8 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 0 0 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 M 0 0 138 0, 0.0 2,-0.1 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 131.6 2.8 0.9 -2.1 2 2 A V - 0 0 84 2,-0.0 56,-0.5 0, 0.0 2,-0.3 -0.412 360.0-157.5 -74.7 156.0 0.3 1.8 -4.8 3 3 A I E +A 57 0A 42 54,-0.2 2,-0.3 -2,-0.1 54,-0.2 -0.991 14.5 170.8-135.2 141.8 0.7 0.5 -8.5 4 4 A S E -A 56 0A 70 52,-2.0 52,-2.8 -2,-0.3 2,-0.4 -0.909 22.6-135.9-136.3 166.2 -0.6 1.9 -11.7 5 5 A I E +A 55 0A 24 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.961 31.3 151.7-123.1 142.2 0.1 0.9 -15.4 6 6 A R E -A 54 0A 51 48,-1.9 48,-3.0 -2,-0.4 2,-0.1 -0.946 50.6 -71.6-150.5 172.0 0.7 3.3 -18.3 7 7 A R E -A 53 0A 115 -2,-0.3 46,-0.3 46,-0.3 2,-0.1 -0.425 58.8-108.5 -61.7 148.4 2.6 3.5 -21.6 8 8 A S - 0 0 29 44,-1.2 2,-0.3 42,-0.2 -1,-0.1 -0.277 22.1-132.7 -70.8 160.8 6.4 3.8 -21.3 9 9 A R - 0 0 106 1,-0.1 4,-0.1 -2,-0.1 -1,-0.1 -0.762 17.8-122.7-103.1 161.7 8.5 6.8 -22.0 10 10 A H S > S+ 0 0 133 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 0.908 106.4 53.7 -62.8 -51.8 11.7 6.7 -24.0 11 11 A E T > S+ 0 0 166 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.781 104.4 55.0 -70.7 -24.9 14.0 8.1 -21.5 12 12 A E T >> S+ 0 0 11 1,-0.2 4,-1.2 2,-0.1 3,-1.0 0.447 79.6 101.3 -82.4 -0.6 13.0 5.6 -18.8 13 13 A G H <> S+ 0 0 0 -3,-2.0 4,-2.2 1,-0.3 3,-0.4 0.847 73.6 58.8 -52.5 -39.4 13.9 2.8 -21.3 14 14 A E H <> S+ 0 0 129 -3,-0.6 4,-2.5 1,-0.3 -1,-0.3 0.829 101.2 55.3 -65.6 -28.6 17.3 2.2 -19.6 15 15 A E H <> S+ 0 0 92 -3,-1.0 4,-2.9 2,-0.2 -1,-0.3 0.860 107.1 50.7 -68.2 -32.8 15.4 1.4 -16.3 16 16 A L H X S+ 0 0 0 -4,-1.2 4,-2.9 -3,-0.4 -2,-0.2 0.917 109.2 49.8 -73.9 -38.8 13.5 -1.3 -18.3 17 17 A V H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.937 112.3 49.1 -57.3 -46.5 16.8 -2.7 -19.6 18 18 A A H X S+ 0 0 51 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.938 111.0 48.9 -60.8 -47.2 17.9 -2.7 -16.0 19 19 A I H X S+ 0 0 9 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.921 112.3 48.4 -57.8 -50.4 14.7 -4.5 -14.8 20 20 A W H X S+ 0 0 13 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.939 109.2 54.8 -53.8 -47.1 15.1 -7.1 -17.6 21 21 A C H X S+ 0 0 45 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.917 112.4 41.0 -59.1 -47.3 18.7 -7.6 -16.6 22 22 A R H X S+ 0 0 123 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.839 110.9 56.7 -72.2 -32.6 17.9 -8.3 -12.9 23 23 A S H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 5,-0.4 0.883 111.4 45.0 -60.2 -38.1 14.9 -10.4 -13.9 24 24 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.930 113.4 49.0 -70.4 -42.7 17.4 -12.5 -15.9 25 25 A D H < S+ 0 0 104 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.878 117.2 42.6 -63.4 -35.0 20.0 -12.6 -13.1 26 26 A A H < S+ 0 0 52 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.794 136.8 4.6 -81.8 -33.9 17.3 -13.7 -10.6 27 27 A T H < S+ 0 0 20 -4,-1.6 85,-0.3 -5,-0.2 86,-0.2 0.498 128.9 46.3-139.1 -5.1 15.4 -16.3 -12.6 28 28 A H >< + 0 0 21 -4,-2.3 3,-2.6 -5,-0.4 -3,-0.1 -0.049 61.8 135.8-126.6 30.1 17.0 -16.9 -16.1 29 29 A D T 3 + 0 0 94 1,-0.3 -4,-0.1 -4,-0.2 -1,-0.1 0.752 55.8 82.8 -60.8 -18.9 20.6 -17.3 -14.9 30 30 A F T 3 + 0 0 104 -6,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.683 65.9 109.0 -52.1 -23.5 21.0 -20.3 -17.2 31 31 A L S < S- 0 0 12 -3,-2.6 -3,-0.1 -7,-0.2 5,-0.1 -0.549 75.8-129.7 -60.9 106.0 21.6 -17.6 -19.9 32 32 A S > - 0 0 58 -2,-0.8 4,-2.8 1,-0.1 5,-0.2 -0.150 22.2-106.6 -56.2 151.1 25.3 -18.0 -20.7 33 33 A A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.803 117.2 53.1 -57.1 -34.4 27.3 -14.7 -20.6 34 34 A E H > S+ 0 0 161 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.970 113.7 41.4 -68.1 -47.9 27.6 -14.5 -24.5 35 35 A Y H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.871 112.2 56.7 -68.7 -35.0 23.9 -14.8 -25.0 36 36 A R H X S+ 0 0 50 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.921 108.5 47.9 -53.9 -49.3 23.3 -12.5 -22.0 37 37 A T H X S+ 0 0 90 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 113.5 45.6 -62.9 -47.1 25.5 -9.8 -23.7 38 38 A E H X S+ 0 0 120 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.873 115.0 47.6 -70.4 -36.5 23.8 -10.2 -27.1 39 39 A L H X S+ 0 0 30 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.957 110.5 51.9 -62.5 -50.8 20.3 -10.1 -25.6 40 40 A E H X S+ 0 0 54 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.878 110.2 49.5 -58.7 -39.1 21.2 -7.1 -23.4 41 41 A D H X S+ 0 0 103 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.968 115.3 41.8 -62.1 -51.1 22.4 -5.2 -26.5 42 42 A L H < S+ 0 0 88 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.895 114.3 52.7 -68.8 -37.2 19.3 -5.9 -28.5 43 43 A V H >X S+ 0 0 13 -4,-3.1 4,-2.7 1,-0.2 3,-1.8 0.923 109.2 49.7 -58.5 -47.0 17.1 -5.3 -25.5 44 44 A R H 3< S+ 0 0 115 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.739 110.5 50.9 -67.7 -18.0 18.8 -1.9 -25.1 45 45 A S T 3< S+ 0 0 75 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.177 124.2 28.5 -95.0 10.6 18.1 -1.3 -28.8 46 46 A F T X> S+ 0 0 88 -3,-1.8 4,-2.3 -5,-0.1 3,-2.3 0.585 104.8 61.2-140.1 -56.3 14.4 -2.2 -28.2 47 47 A L T 3< S+ 0 0 9 -4,-2.7 5,-0.3 1,-0.3 -3,-0.1 0.869 102.3 57.9 -55.8 -40.2 12.9 -1.5 -24.8 48 48 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 -35,-0.2 0.585 122.9 24.9 -60.7 -11.6 13.6 2.3 -25.1 49 49 A E T <4 S+ 0 0 149 -3,-2.3 -2,-0.2 -36,-0.1 -39,-0.1 0.473 95.2 110.2-130.0 -15.4 11.5 2.4 -28.3 50 50 A A S < S- 0 0 12 -4,-2.3 2,-2.5 1,-0.1 -42,-0.2 -0.373 80.0-110.5 -68.0 148.2 9.1 -0.5 -28.0 51 51 A P + 0 0 70 0, 0.0 17,-0.4 0, 0.0 -1,-0.1 -0.431 64.6 158.4 -77.8 65.2 5.3 0.1 -27.5 52 52 A L - 0 0 1 -2,-2.5 -44,-1.2 -5,-0.3 2,-0.4 -0.305 40.4-137.0 -83.9 170.9 5.5 -1.2 -23.9 53 53 A W E -AB 7 66A 45 13,-2.3 13,-2.5 -46,-0.3 2,-0.4 -0.980 22.5-152.8-122.7 138.9 3.3 -0.7 -20.8 54 54 A V E -AB 6 65A 0 -48,-3.0 -48,-1.9 -2,-0.4 2,-0.4 -0.936 13.3-135.2-116.5 135.6 5.1 -0.1 -17.5 55 55 A A E -AB 5 64A 0 9,-2.0 8,-3.0 -2,-0.4 9,-1.3 -0.789 33.0-167.4 -75.3 133.0 4.0 -0.9 -13.9 56 56 A V E -AB 4 62A 7 -52,-2.8 -52,-2.0 -2,-0.4 2,-0.1 -0.952 13.1-138.8-127.4 140.6 4.9 2.2 -11.9 57 57 A N E > -A 3 0A 20 4,-1.9 3,-2.2 -2,-0.4 4,-0.4 -0.193 53.1 -70.6 -79.2-174.6 5.0 2.7 -8.1 58 58 A E T 3 S+ 0 0 152 -56,-0.5 -55,-0.1 1,-0.3 -1,-0.0 0.641 131.8 60.7 -55.5 -19.5 3.7 5.9 -6.3 59 59 A R T 3 S- 0 0 206 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.303 114.3-113.6 -88.4 4.9 6.7 7.9 -7.7 60 60 A D S < S+ 0 0 67 -3,-2.2 -2,-0.1 1,-0.2 -4,-0.0 0.947 74.7 140.2 52.2 52.4 5.7 7.3 -11.3 61 61 A Q - 0 0 68 -4,-0.4 -4,-1.9 -7,-0.0 -1,-0.2 -0.995 58.3-107.3-131.7 124.6 8.9 5.2 -11.5 62 62 A P E +B 56 0A 3 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.326 39.8 165.0 -67.2 137.8 8.9 1.9 -13.5 63 63 A V E S- 0 0 9 -8,-3.0 16,-2.5 1,-0.4 2,-0.3 0.450 71.3 -3.8-125.9 -11.1 9.1 -1.4 -11.5 64 64 A G E -BC 55 78A 0 -9,-1.3 -9,-2.0 14,-0.3 -1,-0.4 -0.962 61.9-147.6-165.9 171.5 8.1 -3.7 -14.3 65 65 A F E -BC 54 77A 1 12,-2.8 12,-2.3 -11,-0.3 2,-0.3 -0.966 3.8-164.1-146.7 162.0 7.0 -3.8 -18.0 66 66 A M E -BC 53 76A 0 -13,-2.5 -13,-2.3 -2,-0.3 2,-0.5 -0.986 10.6-149.1-147.3 138.9 4.8 -5.8 -20.4 67 67 A L E + C 0 75A 17 8,-2.5 8,-1.1 -2,-0.3 7,-0.4 -0.991 28.8 159.9-112.6 121.3 4.5 -5.9 -24.2 68 68 A L E + 0 0 6 -2,-0.5 2,-0.3 -17,-0.4 5,-0.2 -0.972 5.3 151.0-141.6 133.3 1.1 -6.7 -25.6 69 69 A S E > S+ C 0 72A 73 3,-1.2 3,-2.2 -2,-0.3 2,-0.5 -0.933 71.5 3.3-147.3 160.2 -0.4 -6.1 -29.0 70 70 A G T 3 S- 0 0 74 -2,-0.3 32,-0.1 1,-0.2 -2,-0.0 -0.576 129.5 -51.6 59.0-115.0 -3.1 -8.1 -30.8 71 71 A Q T 3 S+ 0 0 75 -2,-0.5 32,-2.2 30,-0.1 2,-0.5 -0.096 114.3 106.4-135.5 32.7 -3.8 -10.6 -28.0 72 72 A H E < -Cd 69 103A 64 -3,-2.2 2,-1.3 30,-0.2 -3,-1.2 -0.937 52.8-160.8-128.2 103.1 -0.3 -11.6 -27.4 73 73 A M E + d 0 104A 0 30,-3.0 32,-0.7 -2,-0.5 -5,-0.3 -0.738 16.9 178.0 -81.1 87.1 1.7 -10.5 -24.4 74 74 A D E + 0 0 80 -2,-1.3 2,-0.3 -7,-0.4 31,-0.3 0.884 63.2 26.4 -60.3 -36.3 5.2 -11.3 -25.9 75 75 A A E +C 67 0A 15 -8,-1.1 -8,-2.5 -3,-0.2 2,-0.3 -0.958 51.1 168.2-138.8 146.5 7.1 -10.0 -22.8 76 76 A L E +C 66 0A 13 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.881 16.0 159.4-154.0 118.2 6.6 -9.5 -19.0 77 77 A F E +C 65 0A 40 -12,-2.3 -12,-2.8 -2,-0.3 2,-0.3 -0.993 9.4 178.6-144.4 143.1 9.5 -8.6 -16.7 78 78 A I E -C 64 0A 7 -2,-0.3 -14,-0.3 -14,-0.3 5,-0.1 -0.991 41.1 -90.8-150.7 141.2 9.5 -7.0 -13.2 79 79 A D >> - 0 0 30 -16,-2.5 3,-1.6 -2,-0.3 4,-0.9 -0.277 35.5-131.4 -53.5 122.9 12.1 -6.1 -10.6 80 80 A P H 3> S+ 0 0 46 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.758 102.4 69.4 -51.8 -27.2 12.6 -9.1 -8.3 81 81 A D H 34 S+ 0 0 135 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.823 113.2 27.1 -61.3 -28.3 12.2 -6.8 -5.2 82 82 A V H X4>S+ 0 0 14 -3,-1.6 5,-0.9 -19,-0.2 3,-0.6 0.379 92.1 94.9-122.7 2.0 8.5 -6.2 -6.0 83 83 A R H ><>S+ 0 0 65 -4,-0.9 3,-1.6 -3,-0.2 5,-0.6 0.917 87.1 54.0 -53.4 -44.8 7.5 -9.4 -7.8 84 84 A G T 3<5S+ 0 0 79 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.746 93.4 72.5 -64.3 -22.9 6.4 -10.8 -4.5 85 85 A C T < 5S- 0 0 91 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.498 117.9-104.9 -73.0 -7.4 4.2 -7.6 -4.1 86 86 A G T X>5S+ 0 0 25 -3,-1.6 4,-1.8 -4,-0.2 3,-1.2 0.391 81.6 131.8 102.2 1.2 1.8 -9.0 -6.8 87 87 A V H 3>< + 0 0 0 -5,-0.9 4,-2.8 1,-0.3 5,-0.3 0.828 69.0 68.6 -55.7 -31.4 2.8 -6.6 -9.7 88 88 A G H 3> S+ 0 0 113 -3,-1.2 4,-3.2 2,-0.2 5,-0.3 0.949 111.4 56.9 -64.6 -47.0 -0.8 -10.1 -11.4 90 90 A V H X S+ 0 0 52 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.885 111.0 42.9 -56.9 -43.4 -1.4 -6.3 -11.9 91 91 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.926 115.2 48.9 -69.3 -42.2 0.5 -6.4 -15.3 92 92 A V H X S+ 0 0 4 -4,-1.8 4,-2.9 -5,-0.3 -2,-0.2 0.908 111.2 50.8 -61.5 -41.2 -1.2 -9.7 -16.4 93 93 A E H X S+ 0 0 121 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.913 108.7 51.8 -65.4 -38.7 -4.6 -8.2 -15.4 94 94 A H H X S+ 0 0 57 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.929 112.0 46.4 -59.3 -46.1 -3.8 -5.1 -17.5 95 95 A A H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.6 0.923 112.7 50.1 -61.7 -45.9 -3.0 -7.3 -20.4 96 96 A L H 3< S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.820 102.2 61.1 -62.6 -34.6 -6.2 -9.3 -19.9 97 97 A S H 3< S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 114.1 35.7 -62.7 -34.0 -8.3 -6.2 -19.7 98 98 A M H << S+ 0 0 85 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.690 132.2 29.4 -87.6 -22.5 -7.2 -5.4 -23.3 99 99 A A >< - 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