==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-DEC-07 3BSW . COMPND 2 MOLECULE: ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR N.B.OLIVIER,B.IMPERIALI . 191 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 25 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 15 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 2 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 3 A R 0 0 146 0, 0.0 4,-0.1 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 138.6 21.6 45.0 -6.7 2 4 A T - 0 0 44 2,-0.2 24,-0.1 1,-0.1 44,-0.1 -0.215 360.0-119.4 -77.9 166.3 22.3 41.4 -7.8 3 5 A E S S+ 0 0 56 22,-0.1 23,-3.0 23,-0.1 24,-1.3 0.742 99.9 44.3 -76.6 -25.5 19.7 38.9 -9.0 4 6 A K E S-a 27 0A 84 22,-0.2 43,-0.8 21,-0.2 2,-0.3 -0.822 70.2-160.8-117.0 160.0 20.6 36.6 -6.0 5 7 A I E -ab 28 47A 0 22,-1.8 24,-2.6 -2,-0.3 2,-0.4 -0.998 13.3-138.3-143.3 137.8 21.2 37.3 -2.4 6 8 A Y E -ab 29 48A 8 41,-2.6 43,-2.2 -2,-0.3 2,-0.5 -0.846 20.1-162.1 -90.6 134.9 22.9 35.4 0.5 7 9 A I E -ab 30 49A 0 22,-2.6 24,-2.3 -2,-0.4 2,-0.8 -0.978 12.0-154.5-122.2 120.9 21.1 35.5 3.8 8 10 A Y E b 0 50A 20 41,-2.7 43,-2.5 -2,-0.5 24,-0.2 -0.863 360.0 360.0 -89.0 107.8 22.9 34.7 7.0 9 11 A G 0 0 41 -2,-0.8 4,-0.3 41,-0.2 3,-0.3 0.621 360.0 360.0-116.3 360.0 19.9 33.5 9.1 10 ! 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 11 14 A G > 0 0 93 0, 0.0 4,-1.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -20.9 13.1 31.7 11.5 12 15 A H H > + 0 0 111 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.768 360.0 68.4 -64.3 -27.6 14.2 35.3 10.7 13 16 A G H > S+ 0 0 7 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.912 98.5 46.7 -58.4 -47.9 15.9 34.0 7.5 14 17 A L H > S+ 0 0 108 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.869 111.9 51.8 -64.2 -37.8 12.6 33.1 5.8 15 18 A V H X S+ 0 0 65 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.939 111.3 46.2 -64.9 -46.5 11.1 36.5 6.7 16 19 A C H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.869 109.1 57.1 -63.5 -35.4 14.1 38.3 5.3 17 20 A E H X S+ 0 0 29 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.920 104.7 51.2 -58.6 -45.0 13.9 36.1 2.2 18 21 A D H X S+ 0 0 110 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.899 111.2 48.0 -59.7 -40.9 10.3 37.2 1.7 19 22 A V H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.925 110.8 50.8 -66.9 -42.7 11.4 40.9 1.9 20 23 A A H X>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 4,-0.8 0.928 111.2 48.6 -58.9 -44.5 14.3 40.2 -0.6 21 24 A K H ><5S+ 0 0 100 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.886 107.3 55.5 -64.9 -38.6 11.8 38.6 -3.0 22 25 A N H 3<5S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 104.8 53.5 -56.2 -41.0 9.4 41.5 -2.6 23 26 A M H 3<5S- 0 0 50 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.681 129.8 -97.6 -68.6 -20.7 12.3 43.8 -3.6 24 27 A G T <<5 + 0 0 32 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.453 69.7 152.1 115.4 3.4 12.8 41.7 -6.8 25 28 A Y < - 0 0 10 -5,-2.2 -1,-0.3 -6,-0.2 -21,-0.2 -0.462 33.7-152.8 -61.3 137.5 15.6 39.4 -5.8 26 29 A K + 0 0 153 -23,-3.0 2,-0.4 1,-0.2 -22,-0.2 0.845 69.1 16.1 -85.7 -40.4 15.2 36.2 -7.8 27 30 A E E -a 4 0A 32 -24,-1.3 -22,-1.8 -7,-0.1 2,-0.4 -0.991 60.8-150.9-140.1 145.8 16.9 33.6 -5.5 28 31 A C E -a 5 0A 22 -2,-0.4 2,-0.5 -24,-0.2 -22,-0.2 -0.953 6.9-162.6-117.6 137.6 18.0 33.5 -1.9 29 32 A I E -a 6 0A 50 -24,-2.6 -22,-2.6 -2,-0.4 2,-0.4 -0.974 14.4-141.3-120.5 115.7 20.9 31.4 -0.7 30 33 A F E +a 7 0A 84 -2,-0.5 2,-0.3 -24,-0.2 -22,-0.2 -0.649 20.4 177.5 -81.9 129.7 21.1 30.7 3.1 31 34 A L + 0 0 31 -24,-2.3 -1,-0.1 -2,-0.4 -2,-0.0 -0.718 12.5 158.6-132.1 80.1 24.6 30.7 4.6 32 35 A D + 0 0 61 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.1 0.434 33.2 113.8 -87.9 -2.8 24.2 30.1 8.3 33 36 A D - 0 0 117 1,-0.1 3,-0.0 3,-0.1 -2,-0.0 -0.551 37.5-177.2 -82.2 133.0 27.7 28.9 9.2 34 37 A F > + 0 0 63 -2,-0.3 3,-1.1 2,-0.1 2,-0.4 0.869 69.4 67.0 -89.2 -47.0 30.0 31.0 11.4 35 38 A K T 3 S+ 0 0 70 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 -0.643 108.7 21.1 -80.1 130.8 33.1 28.8 11.3 36 39 A G T > S+ 0 0 34 -2,-0.4 3,-1.2 3,-0.0 4,-0.5 0.554 79.5 134.7 86.2 10.7 34.8 28.7 7.9 37 40 A M G X + 0 0 14 -3,-1.1 3,-1.5 1,-0.3 4,-0.3 0.834 62.1 68.4 -57.9 -35.9 33.1 31.9 6.9 38 41 A K G > S+ 0 0 128 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.818 92.3 59.5 -52.6 -34.6 36.4 33.1 5.5 39 42 A F G X S+ 0 0 127 -3,-1.2 3,-2.1 1,-0.3 -1,-0.3 0.738 86.7 75.4 -68.8 -24.2 36.1 30.5 2.7 40 43 A E G X S+ 0 0 22 -3,-1.5 3,-2.2 -4,-0.5 -1,-0.3 0.694 75.0 80.3 -60.9 -18.2 32.9 32.0 1.5 41 44 A S G < S+ 0 0 46 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.676 81.6 65.3 -64.9 -15.8 35.0 34.7 -0.0 42 45 A T G < S+ 0 0 123 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.472 88.0 93.2 -81.6 -3.8 35.6 32.3 -2.9 43 46 A L S < S- 0 0 61 -3,-2.2 -3,-0.0 1,-0.1 0, 0.0 -0.505 95.1 -81.8 -86.9 159.5 31.9 32.5 -3.8 44 47 A P - 0 0 69 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 -0.325 49.2-112.4 -56.9 140.5 30.3 34.8 -6.4 45 48 A K + 0 0 94 -3,-0.1 2,-0.1 -4,-0.1 3,-0.1 -0.440 52.6 161.6 -83.3 69.1 29.8 38.2 -4.8 46 49 A Y - 0 0 66 -2,-2.1 25,-0.3 1,-0.1 -41,-0.2 -0.467 53.9 -79.5 -72.8 158.8 26.0 38.4 -4.6 47 50 A D E -b 5 0A 6 -43,-0.8 -41,-2.6 -2,-0.1 2,-0.3 -0.202 52.2-144.6 -53.2 151.9 24.5 40.9 -2.2 48 51 A F E -bc 6 72A 0 23,-2.5 25,-1.8 -43,-0.2 2,-0.3 -0.930 17.0-174.0-124.9 148.6 24.5 39.8 1.4 49 52 A F E -b 7 0A 4 -43,-2.2 -41,-2.7 -2,-0.3 2,-0.7 -0.996 19.1-140.2-139.1 147.4 22.1 40.3 4.3 50 53 A I E -b 8 0A 5 -2,-0.3 2,-1.3 -43,-0.2 -41,-0.2 -0.885 13.2-169.4-108.6 104.7 22.3 39.3 8.0 51 54 A A + 0 0 3 -43,-2.5 2,-0.5 -2,-0.7 -39,-0.2 -0.438 40.0 126.5 -95.0 61.4 18.9 38.1 9.2 52 55 A I - 0 0 22 -2,-1.3 6,-0.1 1,-0.1 -2,-0.1 -0.968 46.4-159.3-122.6 119.2 19.7 38.0 13.0 53 56 A G S S+ 0 0 13 -2,-0.5 2,-0.4 4,-0.1 -1,-0.1 0.795 70.7 94.2 -65.0 -29.9 17.4 39.8 15.4 54 57 A N > - 0 0 93 1,-0.1 4,-2.3 2,-0.0 5,-0.2 -0.525 68.9-150.0 -68.5 122.6 20.1 39.9 18.1 55 58 A N H > S+ 0 0 22 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.834 90.8 46.2 -65.0 -38.4 22.0 43.2 17.8 56 59 A E H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.864 115.1 45.1 -76.9 -38.4 25.4 42.0 19.0 57 60 A I H > S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.923 111.2 54.7 -67.4 -45.9 25.6 38.9 16.9 58 61 A R H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.902 109.3 47.4 -55.0 -44.4 24.3 40.8 13.8 59 62 A K H X S+ 0 0 63 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.881 111.0 51.0 -65.8 -40.5 27.2 43.4 14.3 60 63 A K H X S+ 0 0 49 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.950 114.6 42.7 -60.4 -51.6 29.8 40.6 14.7 61 64 A I H X S+ 0 0 16 -4,-2.8 4,-3.3 1,-0.2 5,-0.3 0.903 111.5 56.6 -62.7 -41.9 28.6 38.9 11.5 62 65 A Y H X S+ 0 0 21 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.918 109.3 45.2 -54.3 -46.9 28.3 42.2 9.7 63 66 A Q H X S+ 0 0 115 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.883 115.7 46.9 -67.5 -38.0 32.0 43.0 10.4 64 67 A K H X S+ 0 0 39 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.911 113.3 47.4 -70.3 -45.0 33.1 39.5 9.4 65 68 A I H ><>S+ 0 0 0 -4,-3.3 5,-1.3 1,-0.2 3,-1.0 0.916 111.4 51.2 -62.0 -45.4 31.0 39.5 6.1 66 69 A S H ><5S+ 0 0 48 -4,-2.3 3,-1.3 -5,-0.3 -1,-0.2 0.858 106.4 54.7 -61.9 -36.2 32.3 42.9 5.2 67 70 A E H 3<5S+ 0 0 87 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.652 100.0 62.6 -72.1 -17.5 35.9 41.9 5.7 68 71 A N T <<5S- 0 0 35 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.216 124.1 -98.0 -93.5 13.0 35.4 39.0 3.3 69 72 A G T < 5S+ 0 0 53 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.720 78.0 135.4 83.4 23.2 34.6 41.3 0.3 70 73 A F < - 0 0 14 -5,-1.3 2,-0.6 -4,-0.0 -1,-0.3 -0.745 53.1-129.3-102.1 151.4 30.8 41.2 0.4 71 74 A K - 0 0 99 -25,-0.3 -23,-2.5 -2,-0.3 2,-0.8 -0.895 17.4-151.4 -93.6 121.4 28.3 44.1 0.1 72 75 A I B -c 48 0A 4 -2,-0.6 21,-1.0 19,-0.3 -23,-0.2 -0.852 22.3-161.5 -95.7 105.2 25.7 44.0 2.9 73 76 A V - 0 0 0 -25,-1.8 2,-0.4 -2,-0.8 20,-0.1 -0.207 19.2-108.0 -80.4 169.8 22.6 45.6 1.3 74 77 A N - 0 0 8 19,-0.2 2,-0.6 18,-0.1 21,-0.2 -0.822 23.4-145.3 -90.2 141.1 19.6 47.0 3.0 75 78 A L E +d 95 0B 0 19,-2.3 21,-2.9 -2,-0.4 2,-0.5 -0.964 25.8 174.2-106.6 116.3 16.4 45.0 2.7 76 79 A I E -d 96 0B 37 -2,-0.6 21,-0.2 19,-0.2 19,-0.1 -0.962 28.6-129.9-129.5 109.6 13.5 47.4 2.4 77 80 A H > - 0 0 38 19,-2.8 3,-1.9 -2,-0.5 23,-0.1 -0.267 22.8-121.1 -57.6 142.9 9.9 46.2 1.7 78 81 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -59,-0.2 19,-0.1 0.752 111.5 59.8 -59.8 -24.4 8.2 48.1 -1.1 79 82 A S T 3 S+ 0 0 27 2,-0.1 -1,-0.3 22,-0.0 2,-0.2 0.512 79.1 106.4 -83.2 -6.8 5.4 49.2 1.3 80 83 A A < - 0 0 13 -3,-1.9 2,-0.5 16,-0.2 21,-0.2 -0.558 64.2-145.4 -71.6 135.0 7.9 51.0 3.6 81 84 A L E -j 101 0C 113 19,-2.7 21,-3.0 -2,-0.2 2,-0.5 -0.937 18.5-177.8-108.4 122.4 7.5 54.8 3.1 82 85 A I E -j 102 0C 59 -2,-0.5 21,-0.2 19,-0.2 22,-0.1 -0.977 27.0-123.4-126.5 118.8 10.7 56.8 3.5 83 86 A S > - 0 0 28 19,-2.5 3,-1.7 -2,-0.5 22,-0.1 -0.288 20.2-126.0 -55.7 139.3 10.7 60.6 3.2 84 87 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 19,-0.1 0.760 113.3 52.2 -60.0 -22.5 13.1 61.9 0.5 85 88 A S T 3 S+ 0 0 45 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.466 91.0 96.4 -92.2 -2.6 14.7 64.0 3.2 86 89 A A S < S- 0 0 14 -3,-1.7 2,-0.5 16,-0.2 21,-0.2 -0.519 71.7-134.1 -76.9 157.3 15.2 61.1 5.6 87 90 A I E -o 107 0D 96 19,-2.8 21,-3.0 -2,-0.2 2,-0.6 -0.964 21.7-179.9-117.9 117.1 18.6 59.4 5.5 88 91 A V E -o 108 0D 25 -2,-0.5 21,-0.2 19,-0.2 -14,-0.1 -0.979 40.1-114.6-113.4 115.5 18.8 55.6 5.4 89 92 A E > - 0 0 31 19,-2.2 3,-0.6 -2,-0.6 5,-0.3 -0.283 36.7-118.0 -55.8 125.9 22.5 54.6 5.4 90 93 A E T 3 S- 0 0 175 1,-0.2 -1,-0.1 2,-0.1 20,-0.1 -0.375 84.7 -1.9 -71.2 142.2 23.2 53.0 2.0 91 94 A N T 3 S+ 0 0 71 1,-0.1 -19,-0.3 -2,-0.1 -1,-0.2 0.912 91.5 131.4 43.2 60.3 24.3 49.3 1.9 92 95 A A S < S- 0 0 4 -3,-0.6 19,-2.8 2,-0.1 -19,-0.2 0.109 77.8-104.1-133.4 23.9 24.3 49.0 5.7 93 96 A G + 0 0 5 -21,-1.0 2,-0.4 1,-0.2 -19,-0.2 0.783 64.2 158.7 62.8 28.5 22.4 45.8 6.5 94 97 A I - 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