==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-AUG-11 3T90 . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ACETYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR I.GRISHKOVSKAYA,T.HERTER,H.RIEGLER,B.USADEL . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.7 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 2 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 2 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 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 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 E 0 0 141 0, 0.0 2,-0.3 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 139.0 9.8 -3.6 -5.7 2 4 A T - 0 0 78 2,-0.0 55,-2.4 0, 0.0 2,-0.4 -0.962 360.0-147.5-137.4 141.5 12.8 -1.2 -6.0 3 5 A F E -A 56 0A 53 -2,-0.3 2,-0.5 53,-0.2 53,-0.2 -0.942 7.9-166.5-125.2 131.4 15.3 -0.4 -3.2 4 6 A K E -A 55 0A 127 51,-2.7 51,-2.7 -2,-0.4 2,-0.4 -0.975 10.9-152.5-119.0 121.5 17.2 2.8 -2.4 5 7 A I E +A 54 0A 71 -2,-0.5 2,-0.2 49,-0.2 49,-0.2 -0.746 38.1 121.9 -93.8 136.8 20.1 2.7 0.1 6 8 A R E -A 53 0A 59 47,-2.6 47,-2.7 -2,-0.4 2,-0.2 -0.904 58.7 -67.4-167.8-174.5 21.0 6.0 2.0 7 9 A K E -A 52 0A 99 45,-0.2 45,-0.3 -2,-0.2 43,-0.0 -0.646 59.6 -85.9 -90.9 157.4 21.3 7.4 5.6 8 10 A L - 0 0 17 43,-2.5 2,-0.3 -2,-0.2 43,-0.1 -0.347 47.1-161.1 -54.8 138.1 18.5 7.8 8.0 9 11 A E > - 0 0 88 1,-0.1 3,-2.3 -3,-0.1 4,-0.2 -0.861 31.3-110.0-122.2 163.0 16.6 11.1 7.6 10 12 A I G > S+ 0 0 66 -2,-0.3 3,-1.3 1,-0.3 4,-0.1 0.860 116.2 59.5 -65.9 -25.1 14.4 13.0 10.0 11 13 A S G > S+ 0 0 46 1,-0.3 3,-1.8 2,-0.1 -1,-0.3 0.527 79.4 88.5 -75.3 -11.1 11.3 12.2 7.9 12 14 A D G X > + 0 0 0 -3,-2.3 3,-1.9 1,-0.3 5,-1.2 0.643 65.4 82.0 -67.0 -10.0 11.9 8.5 8.3 13 15 A K G < 5S+ 0 0 52 -3,-1.3 3,-0.4 1,-0.3 -1,-0.3 0.759 94.8 47.1 -61.0 -22.2 9.8 8.6 11.4 14 16 A R G < 5S+ 0 0 171 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.396 101.4 68.8 -97.8 8.8 6.8 8.4 9.0 15 17 A K T < 5S- 0 0 29 -3,-1.9 47,-2.8 -4,-0.1 -1,-0.2 0.034 116.5 -94.0-116.7 24.9 8.3 5.5 6.9 16 18 A G T >5S+ 0 0 7 -3,-0.4 4,-2.1 45,-0.2 -3,-0.1 0.710 77.5 138.9 75.6 21.3 8.1 2.6 9.4 17 19 A F H > S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.940 113.6 55.9 -67.0 -38.9 10.7 2.3 14.4 19 21 A E H 4 S+ 0 0 125 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.893 107.8 48.7 -56.3 -41.2 8.3 -0.5 13.3 20 22 A L H >< S+ 0 0 4 -4,-2.1 3,-2.1 1,-0.2 4,-0.3 0.908 106.0 56.1 -68.5 -42.3 11.1 -2.3 11.5 21 23 A L H >X S+ 0 0 31 -4,-2.2 3,-2.0 1,-0.3 4,-1.9 0.821 95.5 68.4 -55.1 -32.0 13.4 -2.0 14.5 22 24 A G T 3< S+ 0 0 38 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.655 87.4 65.7 -63.5 -16.3 10.6 -3.8 16.4 23 25 A Q T <4 S+ 0 0 76 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.622 108.0 41.2 -78.2 -13.2 11.4 -6.9 14.3 24 26 A L T <4 S- 0 0 85 -3,-2.0 2,-0.3 1,-0.4 -2,-0.2 0.871 131.0 -39.2 -94.7 -62.9 14.8 -7.0 16.1 25 27 A T S < S- 0 0 96 -4,-1.9 -1,-0.4 0, 0.0 0, 0.0 -0.934 83.3 -43.3-154.2-174.8 13.8 -6.2 19.7 26 28 A V + 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.0 -0.254 44.7 168.2 -57.1 130.9 11.5 -4.1 21.9 27 29 A T - 0 0 54 -5,-0.1 -1,-0.2 -8,-0.0 -8,-0.0 0.659 30.4-143.5-106.4 -28.1 11.2 -0.4 20.8 28 30 A G - 0 0 43 1,-0.1 2,-1.3 2,-0.1 -6,-0.1 -0.163 49.2 -57.7 71.2-179.0 8.3 0.8 22.8 29 31 A S - 0 0 127 -2,-0.0 2,-0.2 -11,-0.0 -1,-0.1 -0.579 64.4-157.3-100.5 82.1 5.9 3.4 21.2 30 32 A V - 0 0 56 -2,-1.3 -12,-0.1 1,-0.1 -2,-0.1 -0.350 9.0-137.5 -69.8 122.5 8.5 6.1 20.3 31 33 A T > - 0 0 74 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.316 20.6-112.6 -74.1 162.3 6.9 9.5 19.9 32 34 A D H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 119.4 54.6 -60.8 -36.7 7.8 12.0 17.1 33 35 A E H > S+ 0 0 147 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 112.2 42.0 -62.6 -48.3 9.2 14.3 19.8 34 36 A E H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.912 111.7 55.4 -68.1 -37.7 11.5 11.5 21.1 35 37 A F H X S+ 0 0 13 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.946 111.8 43.9 -58.6 -49.2 12.4 10.4 17.6 36 38 A D H X S+ 0 0 56 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.879 111.7 53.4 -68.0 -35.0 13.6 13.9 16.7 37 39 A R H X S+ 0 0 106 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.933 114.9 39.9 -62.0 -50.0 15.4 14.3 20.0 38 40 A R H X S+ 0 0 122 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.874 111.7 56.8 -74.9 -32.8 17.4 11.1 19.5 39 41 A F H X S+ 0 0 21 -4,-3.0 4,-2.8 -5,-0.3 -1,-0.2 0.950 110.2 46.5 -58.2 -44.2 17.9 11.7 15.8 40 42 A E H X S+ 0 0 102 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.887 110.3 52.3 -63.8 -42.3 19.5 15.1 16.7 41 43 A E H < S+ 0 0 77 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.879 114.6 42.1 -65.6 -36.6 21.7 13.6 19.4 42 44 A I H >< S+ 0 0 35 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.901 110.3 56.1 -75.7 -38.6 23.0 10.9 17.0 43 45 A R H >< S+ 0 0 139 -4,-2.8 3,-2.1 1,-0.3 -2,-0.2 0.819 95.0 70.2 -60.1 -29.1 23.4 13.4 14.1 44 46 A S T 3< S+ 0 0 85 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.752 90.0 61.3 -63.7 -20.8 25.6 15.4 16.5 45 47 A Y T X S- 0 0 135 -3,-1.9 3,-2.1 -4,-0.3 -1,-0.3 0.477 87.5-168.6 -85.8 -6.4 28.3 12.7 16.3 46 48 A G G X - 0 0 40 -3,-2.1 3,-1.8 1,-0.3 -1,-0.2 -0.175 65.6 -2.4 61.0-138.3 28.7 13.2 12.6 47 49 A D G 3 S+ 0 0 93 1,-0.3 -1,-0.3 3,-0.0 3,-0.2 0.580 123.5 73.2 -67.7 -8.9 30.7 10.6 10.8 48 50 A D G < S+ 0 0 36 -3,-2.1 22,-3.0 1,-0.3 -1,-0.3 0.501 104.8 36.8 -81.4 -4.2 31.4 8.8 14.1 49 51 A H E < S+ B 0 69A 39 -3,-1.8 2,-0.3 20,-0.2 -1,-0.3 -0.655 74.1 173.4-153.9 100.5 27.8 7.5 14.2 50 52 A V E - B 0 68A 8 18,-1.6 18,-2.8 -3,-0.2 2,-0.5 -0.788 15.9-162.1-113.4 128.9 26.0 6.5 10.9 51 53 A I E - B 0 67A 20 -2,-0.3 -43,-2.5 16,-0.2 2,-0.4 -0.992 12.0-158.7-110.9 122.1 22.6 4.8 10.5 52 54 A C E -AB 7 66A 0 14,-3.2 14,-1.9 -2,-0.5 2,-0.3 -0.793 11.2-177.3 -97.2 139.5 22.0 3.2 7.0 53 55 A V E -AB 6 65A 0 -47,-2.7 -47,-2.6 -2,-0.4 2,-0.5 -0.976 18.5-151.0-129.3 151.7 18.5 2.6 5.7 54 56 A I E -AB 5 64A 2 10,-2.5 9,-3.1 -2,-0.3 10,-1.4 -0.991 16.8-156.9-117.3 123.7 17.2 1.0 2.6 55 57 A E E -AB 4 62A 28 -51,-2.7 -51,-2.7 -2,-0.5 2,-0.7 -0.812 12.6-138.7 -97.2 135.2 13.8 2.2 1.5 56 58 A E E >> -AB 3 61A 2 5,-2.9 4,-2.1 -2,-0.4 5,-1.0 -0.867 19.6-150.3 -92.1 123.1 11.5 0.2 -0.7 57 59 A E T 45S+ 0 0 92 -55,-2.4 -1,-0.1 -2,-0.7 -54,-0.1 0.827 84.3 53.7 -67.4 -42.6 10.2 2.7 -3.1 58 60 A T T 45S+ 0 0 105 -56,-0.3 -1,-0.2 1,-0.2 -55,-0.1 0.904 122.1 30.4 -64.3 -42.5 6.7 1.4 -4.0 59 61 A S T 45S- 0 0 55 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.738 97.4-139.4 -83.8 -25.1 5.6 1.1 -0.4 60 62 A G T <5 + 0 0 18 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.835 60.1 125.6 63.1 30.3 7.8 4.0 0.7 61 63 A K E S+ 0 0 182 -2,-0.2 4,-2.3 4,-0.2 3,-0.2 0.726 87.0 77.0 -94.6 -33.1 44.5 4.3 22.6 75 77 A L H > S+ 0 0 108 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 -0.116 82.2 44.2 -70.4 168.9 45.6 0.9 21.3 76 78 A R H 4 S- 0 0 165 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.930 141.9 -55.5 59.8 43.3 46.3 0.3 17.7 77 79 A N H 4 S- 0 0 170 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.954 109.2 -45.4 56.0 51.7 48.2 3.6 17.4 78 80 A C H < S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.970 102.5 176.9 52.8 54.0 45.3 5.6 18.8 79 81 A G < - 0 0 12 -4,-2.7 -6,-2.9 -7,-0.1 2,-0.4 -0.101 27.3-124.9 -82.4-177.3 43.0 3.6 16.4 80 82 A K E -C 72 0A 51 34,-0.4 36,-2.4 -8,-0.2 37,-0.7 -0.988 15.4-162.5-135.4 131.9 39.3 3.5 15.7 81 83 A A E -Cd 71 117A 0 -10,-2.4 -10,-3.1 -2,-0.4 2,-0.4 -0.984 14.2-137.3-116.5 139.9 37.0 0.5 15.7 82 84 A G E -Cd 70 118A 0 35,-2.6 37,-2.6 -2,-0.4 2,-0.6 -0.705 9.6-158.6 -94.4 131.5 33.5 0.4 14.2 83 85 A H E -Cd 69 119A 42 -14,-2.6 -14,-2.0 -2,-0.4 2,-0.4 -0.937 10.3-154.3-107.9 103.9 30.7 -1.3 16.2 84 86 A I E +C 68 0A 2 35,-2.9 37,-0.5 -2,-0.6 2,-0.3 -0.681 26.6 167.6 -83.5 131.8 27.9 -2.4 13.8 85 87 A E E +C 67 0A 88 -18,-2.4 -18,-3.0 -2,-0.4 35,-0.0 -0.928 41.2 27.1-137.2 158.8 24.6 -2.5 15.6 86 88 A D E + 0 0 78 -2,-0.3 2,-0.5 -20,-0.2 -1,-0.1 0.852 64.6 171.6 58.2 40.9 20.8 -2.8 15.1 87 89 A V E + 0 0 27 -21,-0.2 2,-0.3 -3,-0.1 -21,-0.2 -0.759 8.8 155.2 -83.5 120.9 20.9 -4.7 11.8 88 90 A V E -C 65 0A 10 -23,-2.5 -23,-2.2 -2,-0.5 2,-0.4 -0.988 28.3-160.1-153.0 137.4 17.4 -5.8 10.7 89 91 A V E -C 64 0A 22 -2,-0.3 -25,-0.2 -25,-0.2 5,-0.1 -0.988 37.5-104.6-114.9 132.9 15.7 -6.7 7.4 90 92 A D > - 0 0 8 -27,-2.8 3,-2.0 -2,-0.4 -70,-0.1 -0.359 28.3-126.2 -53.4 133.8 11.9 -6.7 7.2 91 93 A S G > S+ 0 0 69 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.816 109.4 61.7 -53.0 -36.2 10.7 -10.3 7.1 92 94 A R G 3 S+ 0 0 162 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.755 108.3 42.6 -59.1 -30.5 8.8 -9.6 3.9 93 95 A F G X S+ 0 0 4 -3,-2.0 3,-1.1 -30,-0.2 5,-0.4 0.072 79.6 130.9-111.9 21.7 12.0 -8.7 2.1 94 96 A R T < + 0 0 136 -3,-1.4 -3,-0.0 1,-0.2 -4,-0.0 -0.436 67.6 36.1 -74.2 150.2 14.3 -11.5 3.4 95 97 A G T 3 S+ 0 0 63 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.477 88.5 101.3 86.6 -2.2 16.3 -13.2 0.6 96 98 A K S < S- 0 0 94 -3,-1.1 -2,-0.1 0, 0.0 -1,-0.1 0.214 94.9-116.0 -99.4 12.1 16.7 -9.9 -1.4 97 99 A Q S > S+ 0 0 125 1,-0.1 4,-1.4 3,-0.0 -3,-0.1 0.693 73.8 134.0 61.6 27.3 20.2 -9.5 -0.2 98 100 A L H > + 0 0 4 -5,-0.4 4,-2.2 2,-0.2 5,-0.2 0.881 64.2 56.0 -74.5 -36.9 19.4 -6.3 1.7 99 101 A G H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.935 106.1 51.0 -66.6 -34.2 21.3 -7.2 4.8 100 102 A K H > S+ 0 0 78 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 109.2 52.2 -62.8 -42.6 24.5 -7.7 3.0 101 103 A K H X S+ 0 0 108 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.903 110.7 47.8 -59.6 -42.9 24.0 -4.3 1.3 102 104 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.958 113.4 46.8 -61.6 -48.2 23.5 -2.6 4.7 103 105 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.896 112.3 49.6 -65.4 -40.7 26.6 -4.3 6.2 104 106 A E H X S+ 0 0 66 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.892 107.5 54.6 -65.8 -37.1 28.8 -3.5 3.3 105 107 A F H X S+ 0 0 49 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.926 112.1 44.3 -58.1 -46.2 27.7 0.2 3.4 106 108 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.876 113.1 50.2 -69.2 -35.1 28.7 0.4 7.0 107 109 A M H X S+ 0 0 37 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.924 109.5 52.5 -66.2 -39.6 32.0 -1.4 6.5 108 110 A D H X S+ 0 0 100 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.937 109.5 49.4 -61.9 -41.5 32.7 0.9 3.6 109 111 A H H X S+ 0 0 27 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.959 112.2 46.9 -61.3 -47.0 32.1 3.9 5.8 110 112 A C H <>S+ 0 0 3 -4,-2.2 5,-2.5 2,-0.2 -2,-0.2 0.900 111.2 50.7 -66.8 -37.0 34.4 2.6 8.6 111 113 A K H ><5S+ 0 0 165 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.941 111.1 50.6 -64.0 -43.6 37.2 1.7 6.1 112 114 A S H 3<5S+ 0 0 104 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.816 106.5 54.2 -62.7 -31.4 36.9 5.2 4.7 113 115 A M T 3<5S- 0 0 45 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.387 120.7-108.1 -81.6 0.0 37.1 6.7 8.2 114 116 A G T < 5 + 0 0 54 -3,-1.8 -34,-0.4 1,-0.2 -3,-0.2 0.694 59.7 162.2 80.6 26.9 40.4 4.8 8.9 115 117 A C < - 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