==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-FEB-06 2FY2 . COMPND 2 MOLECULE: CHOLINE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.R.KIM,R.J.RYLETT,B.H.SHILTON . 585 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 9.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 45 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 1 1 0 1 0 1 2 2 0 2 3 0 1 0 1 1 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 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 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 8 A S 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-140.3 4.5 -30.1 56.6 2 9 A E + 0 0 201 2,-0.1 2,-0.3 3,-0.0 3,-0.0 0.296 360.0 114.9 -72.3 -0.9 3.5 -26.4 56.3 3 10 A E S S- 0 0 169 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.607 76.7-101.8 -79.5 139.0 2.8 -25.9 60.0 4 11 A S - 0 0 57 -2,-0.3 -1,-0.1 1,-0.2 421,-0.1 -0.336 19.1-156.2 -63.3 132.7 5.1 -23.4 61.8 5 12 A G + 0 0 85 -2,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.356 62.5 109.9 -87.8 3.8 7.7 -25.0 63.9 6 13 A L S S- 0 0 33 1,-0.1 2,-0.2 130,-0.0 418,-0.1 -0.341 76.1-104.4 -74.4 159.4 7.9 -21.8 66.0 7 14 A P - 0 0 59 0, 0.0 418,-1.9 0, 0.0 2,-0.2 -0.499 36.3-108.7 -80.4 156.4 6.6 -21.7 69.6 8 15 A K - 0 0 77 416,-0.2 59,-0.1 -2,-0.2 58,-0.1 -0.561 45.1 -85.0 -83.1 150.7 3.3 -20.0 70.4 9 16 A L - 0 0 3 57,-0.5 59,-0.2 416,-0.3 -1,-0.1 -0.354 55.3-118.2 -56.0 122.9 3.3 -16.7 72.2 10 17 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 414,-0.0 -0.384 13.4-136.6 -68.3 139.6 3.4 -17.5 75.9 11 18 A V - 0 0 24 -2,-0.1 3,-0.1 469,-0.0 469,-0.1 -0.867 24.3-137.5 -96.5 114.5 0.6 -16.7 78.3 12 19 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 468,-0.1 -0.290 31.1 -88.1 -66.3 154.6 2.1 -15.3 81.5 13 20 A P >> - 0 0 65 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.391 35.6-124.4 -65.4 136.8 0.7 -16.4 84.8 14 21 A L H 3> S+ 0 0 13 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.894 108.3 47.3 -50.9 -51.9 -2.1 -14.3 86.0 15 22 A Q H 3> S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.811 107.1 58.3 -62.7 -30.7 -0.6 -13.3 89.3 16 23 A Q H <> S+ 0 0 75 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.935 109.4 43.7 -64.9 -45.3 2.8 -12.5 87.7 17 24 A T H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.916 112.7 51.4 -66.8 -43.6 1.3 -9.9 85.5 18 25 A L H X S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.909 111.7 46.6 -61.8 -42.8 -0.9 -8.4 88.2 19 26 A A H X S+ 0 0 64 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.940 114.3 47.0 -65.7 -46.3 2.0 -8.0 90.6 20 27 A T H X S+ 0 0 23 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.922 110.0 55.5 -59.6 -43.9 4.3 -6.5 87.9 21 28 A Y H X S+ 0 0 2 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.931 110.5 42.7 -54.4 -52.7 1.5 -4.2 86.8 22 29 A L H X S+ 0 0 33 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.911 113.8 53.1 -61.7 -42.0 1.0 -2.7 90.3 23 30 A Q H < S+ 0 0 77 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.861 108.8 51.4 -60.4 -36.5 4.8 -2.5 90.7 24 31 A C H < S+ 0 0 8 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.853 118.3 34.6 -69.8 -37.2 4.9 -0.6 87.4 25 32 A M H >X S+ 0 0 2 -4,-1.8 3,-2.6 -5,-0.2 4,-0.6 0.673 87.9 93.4 -95.7 -18.6 2.4 2.0 88.3 26 33 A R G >< S+ 0 0 150 -4,-2.3 3,-0.9 1,-0.3 8,-0.1 0.873 95.3 38.5 -41.5 -54.0 2.9 2.6 92.1 27 34 A H G 34 S+ 0 0 44 -4,-0.4 -1,-0.3 1,-0.2 385,-0.2 0.406 110.7 62.8 -81.9 3.7 5.3 5.5 91.6 28 35 A L G <4 S+ 0 0 30 -3,-2.6 2,-0.3 2,-0.1 -1,-0.2 0.404 103.8 42.6-108.4 1.4 3.3 6.9 88.7 29 36 A V S << S- 0 0 26 -3,-0.9 5,-0.0 -4,-0.6 479,-0.0 -0.909 95.2 -78.1-139.3 166.9 0.0 7.7 90.5 30 37 A S > - 0 0 60 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.104 38.4-116.1 -61.7 163.3 -1.0 9.2 93.8 31 38 A E H > S+ 0 0 149 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.907 118.2 49.4 -66.6 -43.5 -0.9 7.2 97.1 32 39 A E H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 113.1 46.2 -61.3 -47.6 -4.6 7.3 97.4 33 40 A Q H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.889 111.6 51.9 -63.9 -39.4 -5.1 6.2 93.8 34 41 A F H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.925 106.4 54.0 -62.7 -45.2 -2.6 3.4 94.3 35 42 A R H X S+ 0 0 168 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.894 110.6 47.5 -55.8 -39.8 -4.4 2.2 97.4 36 43 A K H X S+ 0 0 117 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.894 111.4 49.5 -69.4 -40.1 -7.6 2.0 95.3 37 44 A S H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.850 105.8 58.0 -67.7 -33.8 -5.8 0.2 92.4 38 45 A Q H X S+ 0 0 78 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.933 110.4 42.8 -60.4 -45.8 -4.4 -2.3 94.9 39 46 A A H X S+ 0 0 59 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.903 113.8 51.5 -67.5 -41.8 -7.9 -3.2 96.1 40 47 A I H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 114.7 42.1 -60.3 -47.6 -9.2 -3.3 92.5 41 48 A V H X S+ 0 0 7 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.877 111.5 56.2 -67.1 -39.7 -6.5 -5.6 91.4 42 49 A Q H < S+ 0 0 125 -4,-2.4 4,-0.3 -5,-0.3 -2,-0.2 0.947 112.3 42.1 -57.0 -49.3 -6.7 -7.7 94.5 43 50 A Q H >< S+ 0 0 132 -4,-2.6 3,-0.9 1,-0.2 7,-0.3 0.887 112.9 53.8 -66.7 -39.3 -10.4 -8.3 93.8 44 51 A F H 3< S+ 0 0 10 -4,-2.3 7,-2.5 1,-0.2 8,-0.3 0.876 116.3 37.0 -64.0 -38.5 -9.9 -8.9 90.1 45 52 A G T 3< S+ 0 0 5 -4,-2.5 -1,-0.2 6,-0.2 -2,-0.2 0.192 86.8 128.7-102.2 18.2 -7.2 -11.6 90.6 46 53 A A S X S- 0 0 25 -3,-0.9 3,-2.3 -4,-0.3 6,-0.4 -0.358 74.3 -78.2 -72.9 152.2 -8.7 -13.3 93.7 47 54 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.226 121.2 9.4 -50.7 127.8 -9.2 -17.1 93.7 48 55 A G T 3 S+ 0 0 71 1,-0.2 -2,-0.1 -3,-0.1 2,-0.1 0.671 107.6 132.7 73.0 16.5 -12.3 -18.0 91.8 49 56 A G S <> S- 0 0 16 -3,-2.3 4,-1.4 -4,-0.1 -1,-0.2 -0.225 75.7 -91.7 -92.4-176.5 -12.5 -14.5 90.5 50 57 A L H > S+ 0 0 60 -7,-0.3 4,-2.8 1,-0.2 5,-0.2 0.874 119.6 60.9 -62.6 -40.2 -13.0 -12.8 87.2 51 58 A G H > S+ 0 0 0 -7,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.931 106.0 44.5 -54.1 -51.5 -9.3 -12.6 86.5 52 59 A E H > S+ 0 0 74 -6,-0.4 4,-1.8 -8,-0.3 -1,-0.2 0.838 111.7 55.2 -64.0 -32.3 -8.8 -16.4 86.6 53 60 A T H X S+ 0 0 63 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.939 111.0 43.4 -65.4 -46.5 -11.9 -16.9 84.5 54 61 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.890 109.7 58.0 -65.7 -37.4 -10.5 -14.6 81.8 55 62 A Q H X S+ 0 0 16 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.871 105.0 51.0 -60.4 -37.4 -7.1 -16.3 82.2 56 63 A Q H X S+ 0 0 106 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.889 109.8 48.7 -67.9 -39.1 -8.8 -19.7 81.4 57 64 A K H X S+ 0 0 69 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.850 110.2 52.5 -68.4 -33.3 -10.4 -18.3 78.2 58 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.911 108.7 49.5 -68.0 -42.1 -7.0 -16.8 77.2 59 66 A L H X S+ 0 0 61 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.903 112.2 48.5 -62.9 -39.9 -5.4 -20.2 77.6 60 67 A E H X S+ 0 0 103 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.925 111.9 49.6 -64.9 -42.7 -8.2 -21.7 75.5 61 68 A R H X S+ 0 0 53 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.888 106.0 57.0 -63.0 -39.4 -7.7 -18.9 73.0 62 69 A Q H < S+ 0 0 45 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.912 109.9 44.9 -58.3 -42.6 -3.9 -19.7 72.9 63 70 A E H < S+ 0 0 149 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.8 46.7 -68.0 -44.6 -4.6 -23.3 72.0 64 71 A K H < S+ 0 0 163 -4,-2.3 2,-0.3 -5,-0.1 -1,-0.2 0.608 113.6 50.9 -75.4 -12.9 -7.2 -22.4 69.3 65 72 A T S < S- 0 0 40 -4,-1.5 3,-0.3 -3,-0.2 -57,-0.0 -0.832 75.2-129.6-123.8 162.8 -5.1 -19.7 67.6 66 73 A A S S+ 0 0 31 1,-0.3 -57,-0.5 -2,-0.3 2,-0.3 0.877 106.2 11.6 -73.8 -37.5 -1.6 -19.4 66.3 67 74 A N > - 0 0 8 -59,-0.1 3,-0.6 -6,-0.1 4,-0.4 -0.920 68.2-154.8-144.7 111.9 -1.2 -16.1 68.3 68 75 A W T 3 S+ 0 0 7 -2,-0.3 4,-0.3 -3,-0.3 -1,-0.1 0.658 94.2 40.6 -62.6 -18.1 -3.7 -15.1 70.9 69 76 A V T 3> S+ 0 0 4 2,-0.1 4,-3.5 1,-0.1 5,-0.4 0.593 83.5 97.3-107.8 -12.0 -3.0 -11.4 70.7 70 77 A S H <> S+ 0 0 30 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 0.864 91.7 38.5 -42.3 -54.5 -2.5 -10.9 67.0 71 78 A E H > S+ 0 0 118 -4,-0.4 4,-1.9 2,-0.2 5,-0.2 0.944 119.0 46.4 -65.7 -51.4 -6.1 -9.6 66.4 72 79 A Y H > S+ 0 0 23 -4,-0.3 4,-3.1 1,-0.2 5,-0.2 0.932 116.1 46.2 -56.3 -49.2 -6.4 -7.6 69.6 73 80 A W H X S+ 0 0 14 -4,-3.5 4,-3.2 1,-0.2 5,-0.5 0.932 108.7 53.2 -61.4 -50.6 -3.0 -6.0 69.1 74 81 A L H X>S+ 0 0 41 -4,-2.3 5,-1.9 -5,-0.4 4,-1.6 0.887 117.6 38.9 -53.9 -42.7 -3.4 -5.1 65.5 75 82 A N H <>S+ 0 0 26 -4,-1.9 5,-2.6 3,-0.2 6,-0.4 0.950 118.5 45.5 -74.2 -51.2 -6.7 -3.3 66.3 76 83 A D H <5S+ 0 0 73 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.891 119.9 40.3 -60.7 -41.7 -5.6 -1.7 69.6 77 84 A M H <5S- 0 0 52 -4,-3.2 -1,-0.2 -5,-0.2 -3,-0.2 0.892 138.1 -13.1 -77.4 -40.8 -2.3 -0.5 68.3 78 85 A Y T ><5S+ 0 0 19 -4,-1.6 3,-1.3 -5,-0.5 -3,-0.2 0.716 119.4 58.7-128.4 -62.3 -3.3 0.7 64.8 79 86 A L T 3 - 0 0 8 138,-0.1 4,-0.5 1,-0.1 5,-0.3 -0.361 33.3-124.5 -61.9 141.5 -4.3 10.7 60.5 85 92 A L H >>S+ 0 0 1 136,-0.6 5,-3.0 134,-0.4 4,-2.1 0.841 83.8 94.4 -59.1 -38.8 -1.4 8.4 59.6 86 93 A P H 45S-a 90 0A 0 0, 0.0 2,-3.3 0, 0.0 188,-0.1 -0.347 110.4 -17.9 -59.8 133.9 1.1 11.2 58.8 87 94 A V H 45S+ 0 0 2 3,-0.6 446,-1.7 186,-0.5 -2,-0.1 -0.196 133.2 68.4 67.5 -52.9 3.3 12.0 61.8 88 95 A N H <5S- 0 0 27 -2,-3.3 -1,-0.2 -4,-0.5 -3,-0.2 0.856 125.8 -8.0 -66.0 -35.7 0.9 10.3 64.2 89 96 A S T <5S+ 0 0 16 -4,-2.1 -4,-0.1 -5,-0.3 218,-0.1 0.703 109.1 83.2-131.1 -43.2 1.5 6.8 63.0 90 97 A S B < -a 86 0A 2 -5,-3.0 -3,-0.6 216,-0.1 216,-0.2 -0.593 62.8-150.7 -78.6 107.4 3.6 6.4 59.8 91 98 A P - 0 0 5 0, 0.0 214,-2.9 0, 0.0 2,-0.4 -0.256 9.3-145.7 -70.9 163.9 7.3 6.5 60.6 92 99 A A E -BC 304 531B 0 439,-2.3 439,-1.8 212,-0.2 2,-0.5 -0.988 5.7-151.2-133.5 142.8 9.7 7.8 58.0 93 100 A V E -BC 303 530B 2 210,-2.8 210,-2.3 -2,-0.4 2,-0.6 -0.961 13.6-152.3-113.0 128.7 13.3 6.8 57.1 94 101 A I E -BC 302 529B 0 435,-2.8 435,-1.5 -2,-0.5 208,-0.2 -0.896 6.7-153.8-105.4 121.7 15.5 9.5 55.7 95 102 A F - 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