==== 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 11-MAY-04 1T82 . COMPND 2 MOLECULE: HYPOTHETICAL ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR F.FOROUHAR,I.LEE,S.M.VOROBIEV,R.XIAO,T.B.ACTON,G.T.MONTELION . 570 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 33.0 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 43 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 1 4 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 0 0 8 6 0 0 0 0 4 4 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 2 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 X > 0 0 123 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -18.2 -2.1 33.7 -37.5 2 2 A D H > + 0 0 146 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.961 360.0 42.7 -60.7 -53.8 -0.3 37.0 -37.0 3 3 A E H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 114.7 52.8 -59.5 -42.1 -3.5 38.8 -35.8 4 4 A L H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.938 112.2 42.4 -61.1 -50.7 -4.4 35.7 -33.7 5 5 A L H X S+ 0 0 17 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.856 112.1 55.6 -66.7 -33.8 -1.1 35.6 -31.9 6 6 A N H X S+ 0 0 76 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.901 107.6 49.3 -64.6 -40.0 -1.1 39.3 -31.5 7 7 A R H X S+ 0 0 111 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.891 109.3 52.6 -65.5 -39.8 -4.5 39.1 -29.8 8 8 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.947 109.2 48.6 -61.2 -49.2 -3.2 36.4 -27.5 9 9 A R H X S+ 0 0 75 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.916 111.8 49.8 -57.0 -44.8 -0.2 38.5 -26.4 10 10 A Q H X S+ 0 0 86 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.870 109.0 52.6 -62.8 -37.6 -2.5 41.5 -25.8 11 11 A T H X S+ 0 0 32 -4,-2.2 4,-1.6 2,-0.2 5,-0.3 0.941 111.3 46.5 -65.1 -46.7 -4.8 39.3 -23.7 12 12 A W H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 3,-0.4 0.969 115.4 43.7 -59.5 -55.9 -1.9 38.1 -21.5 13 13 A H H < S+ 0 0 36 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.853 115.1 49.1 -61.2 -35.3 -0.3 41.5 -20.9 14 14 A S H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.758 123.6 29.3 -76.8 -25.7 -3.7 43.2 -20.3 15 15 A T H < S+ 0 0 33 -4,-1.6 182,-0.2 -3,-0.4 -2,-0.2 0.640 121.0 47.5-108.4 -18.4 -4.9 40.6 -17.8 16 16 A I >X - 0 0 6 -4,-2.8 3,-1.4 -5,-0.3 4,-1.2 -0.806 59.5-170.2-129.1 90.0 -1.8 39.2 -16.2 17 17 A P H 3> S+ 0 0 32 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.818 87.9 59.1 -45.8 -38.5 0.7 42.0 -15.1 18 18 A V H 3> S+ 0 0 1 175,-0.4 4,-2.6 173,-0.4 5,-0.2 0.872 100.5 54.5 -62.6 -36.6 3.4 39.4 -14.4 19 19 A S H <4>S+ 0 0 0 -3,-1.4 5,-2.1 -7,-0.3 4,-0.3 0.834 108.7 50.0 -67.7 -29.0 3.3 38.2 -18.0 20 20 A E H ><5S+ 0 0 115 -4,-1.2 3,-0.7 -3,-0.3 -2,-0.2 0.907 110.9 47.8 -74.1 -42.8 3.9 41.8 -19.1 21 21 A F H 3<5S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.916 112.6 48.3 -64.1 -42.8 6.9 42.2 -16.8 22 22 A X T 3<5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.563 107.2-133.2 -73.7 -7.5 8.4 38.8 -17.9 23 23 A Q T < 5 + 0 0 107 -3,-0.7 2,-0.4 -4,-0.3 -3,-0.2 0.894 37.6 177.2 55.3 45.7 7.8 40.0 -21.5 24 24 A I < + 0 0 0 -5,-2.1 14,-0.2 14,-0.2 -1,-0.2 -0.653 4.7 163.7 -81.9 129.5 6.3 36.7 -22.5 25 25 A A E -A 37 0A 29 12,-2.6 12,-2.6 -2,-0.4 -19,-0.1 -0.999 39.4-102.9-149.9 147.0 5.0 36.7 -26.1 26 26 A P E -A 36 0A 22 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.333 23.7-169.9 -65.5 147.0 4.0 34.1 -28.8 27 27 A L E - 0 0 93 8,-3.9 2,-0.3 1,-0.4 9,-0.2 0.808 59.6 -31.5-102.6 -49.0 6.6 33.4 -31.5 28 28 A S E -A 35 0A 46 7,-1.6 7,-3.0 -23,-0.0 -1,-0.4 -0.992 36.0-145.7-167.0 164.3 4.5 31.3 -34.0 29 29 A F E +A 34 0A 29 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.845 39.7 147.2-142.3 97.7 1.7 28.9 -34.6 30 30 A T E > +A 33 0A 94 3,-1.7 3,-1.2 -2,-0.3 -2,-0.0 -0.999 61.6 0.3-140.5 140.6 2.4 26.5 -37.4 31 31 A D T 3 S- 0 0 141 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.806 129.5 -54.8 57.0 32.8 1.5 22.9 -38.2 32 32 A G T 3 S+ 0 0 31 1,-0.2 71,-1.3 70,-0.1 2,-0.5 0.689 112.8 115.7 78.0 18.6 -0.3 22.6 -34.9 33 33 A E E < -AB 30 102A 48 -3,-1.2 -3,-1.7 69,-0.2 2,-0.5 -0.981 51.3-152.5-125.1 126.5 2.6 23.7 -32.8 34 34 A L E -AB 29 101A 0 67,-2.5 67,-1.8 -2,-0.5 2,-0.4 -0.831 10.7-165.1 -97.9 132.5 2.6 26.8 -30.7 35 35 A S E +AB 28 100A 9 -7,-3.0 -8,-3.9 -2,-0.5 -7,-1.6 -0.968 10.1 175.9-119.1 133.9 6.0 28.5 -30.0 36 36 A V E +AB 26 99A 0 63,-2.4 63,-3.0 -2,-0.4 2,-0.3 -0.947 0.7 175.8-134.9 152.7 6.4 31.1 -27.3 37 37 A S E -A 25 0A 19 -12,-2.6 -12,-2.6 -2,-0.3 61,-0.1 -0.889 12.5-168.0-148.1 179.2 9.4 33.0 -25.9 38 38 A A - 0 0 6 59,-0.4 -14,-0.2 -2,-0.3 -15,-0.1 -0.939 34.4 -98.0-166.9 149.4 10.6 35.7 -23.5 39 39 A P - 0 0 42 0, 0.0 4,-0.4 0, 0.0 56,-0.1 -0.346 24.0-131.0 -73.0 159.0 13.9 37.6 -23.0 40 40 A L S > S+ 0 0 23 1,-0.1 3,-1.5 2,-0.1 4,-0.3 0.919 89.4 81.1 -74.7 -44.1 16.3 36.5 -20.2 41 41 A A G > S+ 0 0 63 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.757 99.9 30.9 -30.9 -65.6 16.8 40.0 -18.8 42 42 A P G 3 S+ 0 0 14 0, 0.0 125,-0.4 0, 0.0 -1,-0.3 0.709 121.1 56.4 -74.4 -14.2 13.7 40.4 -16.5 43 43 A N G < S+ 0 0 2 -3,-1.5 8,-3.6 -4,-0.4 11,-0.2 0.170 82.2 124.6-101.9 17.3 13.7 36.7 -15.9 44 44 A I B < -L 50 0B 31 -3,-1.0 123,-0.4 -4,-0.3 2,-0.2 -0.206 38.3-164.5 -77.8 166.9 17.2 36.2 -14.5 45 45 A N > - 0 0 29 4,-1.0 3,-1.8 120,-0.1 120,-0.1 -0.548 52.4 -62.6-128.5-165.3 18.3 34.7 -11.3 46 46 A L T 3 S+ 0 0 115 1,-0.3 -2,-0.1 -2,-0.2 119,-0.0 0.882 135.8 44.0 -52.6 -47.4 21.7 34.8 -9.4 47 47 A H T 3 S- 0 0 101 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.237 115.8-112.8 -85.3 13.2 23.6 33.1 -12.2 48 48 A H S < S+ 0 0 110 -3,-1.8 2,-0.2 1,-0.2 -2,-0.1 0.798 80.9 124.4 58.5 28.2 21.9 35.2 -14.8 49 49 A T S S- 0 0 21 1,-0.1 -4,-1.0 -6,-0.0 2,-0.3 -0.635 77.6 -67.0-105.2 172.0 20.2 32.1 -16.1 50 50 A X B -L 44 0B 6 43,-2.4 43,-0.3 -2,-0.2 -6,-0.2 -0.453 54.8-115.5 -71.1 128.8 16.4 31.9 -16.3 51 51 A F >> - 0 0 10 -8,-3.6 4,-2.5 -2,-0.3 3,-0.6 -0.288 18.0-124.3 -59.5 136.6 14.6 31.9 -13.0 52 52 A A H 3> S+ 0 0 20 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.806 111.3 52.6 -52.4 -36.2 12.7 28.8 -12.1 53 53 A G H 3> S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.855 109.2 47.8 -71.2 -35.8 9.5 30.8 -11.7 54 54 A S H <> S+ 0 0 2 -3,-0.6 4,-2.9 -11,-0.2 5,-0.3 0.917 110.2 52.9 -70.8 -41.9 9.8 32.4 -15.1 55 55 A I H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.955 113.0 44.2 -56.4 -51.1 10.5 29.1 -16.7 56 56 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.925 113.9 50.4 -59.4 -46.7 7.3 27.7 -15.1 57 57 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.894 109.1 49.4 -62.7 -41.7 5.2 30.7 -15.9 58 58 A I H X S+ 0 0 2 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.915 113.5 47.1 -65.8 -38.7 6.2 30.8 -19.6 59 59 A X H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.914 110.3 52.8 -67.9 -40.7 5.4 27.1 -20.0 60 60 A T H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.920 112.0 45.2 -58.9 -46.0 2.1 27.6 -18.1 61 61 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.786 107.9 57.8 -71.2 -26.1 1.1 30.4 -20.5 62 62 A T H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.934 110.8 42.8 -68.8 -43.0 2.2 28.4 -23.5 63 63 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.943 114.4 51.3 -64.3 -45.9 -0.2 25.6 -22.6 64 64 A W H X S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.920 109.0 52.1 -54.5 -47.4 -2.9 28.3 -21.8 65 65 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.858 106.2 52.9 -60.0 -38.6 -2.3 29.8 -25.2 66 66 A X H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.919 109.6 48.1 -65.1 -42.8 -2.7 26.5 -27.0 67 67 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.937 111.9 50.7 -61.7 -44.3 -6.1 25.9 -25.3 68 68 A W H X S+ 0 0 30 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.919 111.5 47.7 -58.4 -46.1 -7.1 29.5 -26.2 69 69 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.895 110.7 50.5 -64.2 -40.6 -6.1 28.9 -29.8 70 70 A Q H X S+ 0 0 30 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.859 108.3 53.4 -67.7 -31.3 -8.0 25.6 -30.0 71 71 A Q H X>S+ 0 0 4 -4,-2.2 5,-2.4 2,-0.2 4,-0.8 0.923 108.8 50.0 -66.3 -41.8 -11.0 27.3 -28.6 72 72 A Q H ><5S+ 0 0 87 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.921 109.4 50.4 -61.4 -44.7 -10.7 29.9 -31.4 73 73 A L H 3<5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.816 114.8 44.0 -64.3 -29.2 -10.4 27.2 -34.0 74 74 A L H 3<5S- 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.513 109.6-125.9 -92.5 -6.4 -13.6 25.5 -32.6 75 75 A N T <<5S+ 0 0 148 -4,-0.8 2,-0.3 -3,-0.8 -3,-0.2 0.897 70.0 117.8 62.2 43.0 -15.4 28.8 -32.3 76 76 A V < - 0 0 30 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.852 50.0-146.3-131.6 167.0 -16.1 28.3 -28.6 77 77 A D + 0 0 129 -2,-0.3 2,-0.3 34,-0.2 -9,-0.0 -0.973 23.3 150.7-136.9 152.0 -15.2 30.1 -25.4 78 78 A G - 0 0 6 -2,-0.3 2,-0.2 38,-0.0 -7,-0.1 -0.926 50.1 -86.6-175.5 150.5 -14.5 29.0 -21.9 79 79 A D E -C 142 0A 58 63,-2.7 63,-2.4 -2,-0.3 2,-0.7 -0.479 43.0-140.7 -65.1 128.6 -12.5 29.9 -18.7 80 80 A I E +C 141 0A 13 -2,-0.2 2,-0.4 61,-0.2 61,-0.2 -0.849 26.2 178.0 -97.9 114.4 -9.1 28.3 -19.0 81 81 A V E -C 140 0A 60 59,-2.6 59,-2.7 -2,-0.7 2,-0.8 -0.955 27.4-140.7-123.9 133.5 -7.9 26.9 -15.7 82 82 A L E -C 139 0A 11 -2,-0.4 57,-0.2 57,-0.2 3,-0.1 -0.805 19.0-177.4 -89.0 113.3 -4.7 25.0 -14.8 83 83 A A E - 0 0 32 55,-2.9 155,-2.6 -2,-0.8 2,-0.3 0.872 63.0 -22.6 -79.3 -40.6 -5.7 22.2 -12.4 84 84 A D E -CD 138 237A 24 54,-0.7 54,-2.5 153,-0.2 2,-0.3 -0.977 59.3-163.8-164.9 161.6 -2.2 20.8 -11.7 85 85 A A E -CD 137 236A 0 151,-2.3 151,-2.7 -2,-0.3 2,-0.4 -0.997 11.5-152.7-155.5 152.6 1.2 20.6 -13.2 86 86 A H E -CD 136 235A 61 50,-2.3 50,-2.7 -2,-0.3 2,-0.4 -0.993 19.5-174.4-126.1 131.3 4.5 18.7 -13.0 87 87 A I E -CD 135 234A 1 147,-2.7 147,-2.5 -2,-0.4 2,-0.4 -0.993 9.6-165.6-133.3 138.0 7.7 20.4 -14.1 88 88 A R E -CD 134 233A 110 46,-2.7 46,-2.4 -2,-0.4 2,-0.7 -0.988 11.8-148.9-123.3 126.7 11.2 19.0 -14.4 89 89 A Y E +C 133 0A 34 143,-3.1 44,-0.2 -2,-0.4 43,-0.1 -0.868 21.5 171.0 -97.7 114.2 14.3 21.3 -14.8 90 90 A L - 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