==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JAN-07 2JDC . COMPND 2 MOLECULE: GLYPHOSATE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR D.L.SIEHL,L.A.CASTLE,R.GORTON,R.J.KEENAN . 145 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 26.2 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 0.7 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.8 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 1 1 0 0 0 0 0 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 2 1 2 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 2 A I 0 0 74 0, 0.0 2,-0.5 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 129.2 20.4 -1.0 -6.1 2 3 A E E -A 44 0A 121 42,-2.3 42,-2.7 2,-0.0 2,-0.5 -0.944 360.0-149.9-112.8 123.2 23.5 -3.3 -5.8 3 4 A V E +A 43 0A 36 -2,-0.5 40,-0.2 40,-0.2 38,-0.0 -0.808 26.3 167.0 -92.9 128.4 24.3 -4.6 -2.3 4 5 A K E -A 42 0A 89 38,-2.5 38,-2.9 -2,-0.5 2,-0.1 -0.974 40.0 -99.4-137.8 152.1 28.0 -5.2 -1.8 5 6 A P E -A 41 0A 111 0, 0.0 2,-0.3 0, 0.0 36,-0.2 -0.455 43.3-174.3 -66.2 146.2 30.3 -5.9 1.1 6 7 A I E -A 40 0A 10 34,-1.9 34,-0.6 -2,-0.1 2,-0.2 -0.910 21.9-112.0-134.5 166.9 32.1 -2.8 2.4 7 8 A N > - 0 0 105 -2,-0.3 3,-1.3 32,-0.1 4,-0.5 -0.599 31.7-108.0 -95.5 159.6 34.8 -2.2 5.0 8 9 A A G > S+ 0 0 16 1,-0.3 3,-2.0 -2,-0.2 4,-0.5 0.912 119.5 56.1 -52.5 -45.5 34.3 -0.3 8.3 9 10 A E G > S+ 0 0 127 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.775 97.6 64.2 -60.9 -25.1 36.3 2.6 7.0 10 11 A D G < S+ 0 0 71 -3,-1.3 4,-0.3 1,-0.2 -1,-0.3 0.582 97.9 56.5 -73.7 -13.6 34.0 2.9 4.0 11 12 A T G <> S+ 0 0 0 -3,-2.0 4,-2.5 -4,-0.5 5,-0.2 0.602 82.7 84.1 -88.7 -16.7 31.1 3.8 6.3 12 13 A Y H <> S+ 0 0 48 -3,-0.8 4,-2.6 -4,-0.5 5,-0.2 0.873 85.5 53.3 -63.5 -39.6 32.6 6.8 8.1 13 14 A E H > S+ 0 0 134 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.936 115.2 39.1 -62.5 -48.2 31.7 9.4 5.5 14 15 A L H >>S+ 0 0 9 -4,-0.3 4,-2.6 2,-0.2 5,-0.7 0.871 114.2 54.5 -73.3 -34.5 28.0 8.6 5.3 15 16 A R H X>S+ 0 0 0 -4,-2.5 5,-2.2 3,-0.2 4,-1.5 0.941 114.3 42.8 -59.2 -43.1 27.8 8.0 9.1 16 17 A H H <5S+ 0 0 56 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.942 117.6 44.3 -70.2 -46.3 29.3 11.5 9.5 17 18 A R H <5S+ 0 0 131 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.881 129.2 23.4 -63.7 -40.7 27.1 13.2 6.9 18 19 A I H <5S+ 0 0 35 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.869 133.3 24.9 -98.4 -46.4 23.8 11.6 7.8 19 20 A L T < < + 0 0 32 -5,-2.2 3,-1.5 -6,-0.1 -1,-0.1 -0.299 64.6 146.5-133.8 53.6 26.6 12.6 13.3 21 22 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.741 73.6 55.1 -67.4 -19.0 27.4 15.7 11.2 22 23 A N T 3 S+ 0 0 162 -3,-0.1 -5,-0.1 2,-0.1 -6,-0.0 0.299 99.5 69.2-100.3 12.1 28.0 18.0 14.3 23 24 A Q S < S- 0 0 51 -3,-1.5 -3,-0.1 -7,-0.2 5,-0.0 -0.827 95.5 -86.1-117.7 163.2 30.6 15.8 16.0 24 25 A P > - 0 0 89 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.267 44.2-106.6 -62.0 156.9 34.2 15.1 14.9 25 26 A I G > S+ 0 0 58 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.780 116.0 71.3 -58.3 -28.9 34.7 12.2 12.5 26 27 A E G > S+ 0 0 124 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.764 85.1 68.7 -60.6 -24.3 36.1 10.0 15.3 27 28 A A G < S+ 0 0 32 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.670 96.7 54.5 -65.7 -17.5 32.5 9.9 16.7 28 29 A C G < S+ 0 0 0 -3,-2.2 2,-1.5 -4,-0.2 -1,-0.3 0.383 81.6 92.5 -92.8 -0.4 31.6 7.7 13.7 29 30 A M S < S- 0 0 76 -3,-1.5 -1,-0.1 -4,-0.2 -3,-0.1 -0.608 74.3-156.6 -95.1 73.6 34.4 5.2 14.4 30 31 A F > - 0 0 13 -2,-1.5 3,-1.9 1,-0.2 4,-0.3 -0.267 16.8-139.9 -60.0 131.3 32.1 3.0 16.4 31 32 A E G > S+ 0 0 177 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.850 100.3 68.9 -62.4 -28.8 33.9 0.8 18.8 32 33 A S G > S+ 0 0 15 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.711 80.8 75.3 -64.7 -18.4 31.6 -2.1 17.9 33 34 A D G < S+ 0 0 19 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.761 94.9 53.2 -60.4 -24.3 33.2 -2.2 14.4 34 35 A L G < S+ 0 0 164 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.3 0.133 86.0 109.2-100.6 18.8 36.1 -3.9 16.2 35 36 A L S X S- 0 0 90 -3,-1.7 3,-2.0 1,-0.1 22,-0.1 -0.703 85.0 -77.5 -94.5 150.7 34.0 -6.6 17.8 36 37 A R T 3 S+ 0 0 232 -2,-0.3 21,-0.8 1,-0.2 -1,-0.1 -0.110 112.1 6.1 -50.6 129.4 34.2 -10.2 16.7 37 38 A G T 3 S+ 0 0 35 1,-0.2 -1,-0.2 19,-0.1 18,-0.1 0.489 83.3 161.2 80.8 3.7 32.4 -11.0 13.4 38 39 A A < + 0 0 29 -3,-2.0 2,-0.3 -6,-0.1 18,-0.2 -0.259 12.1 177.5 -52.7 142.2 31.4 -7.5 12.6 39 40 A F E - B 0 55A 25 16,-2.4 16,-2.8 -32,-0.1 2,-0.3 -0.979 15.4-150.6-147.1 161.7 30.5 -6.9 9.0 40 41 A H E -AB 6 54A 16 -34,-0.6 -34,-1.9 -2,-0.3 2,-0.4 -0.978 3.5-159.8-136.9 144.3 29.2 -4.0 6.8 41 42 A L E -AB 5 53A 4 12,-2.7 12,-1.6 -2,-0.3 2,-0.4 -0.938 4.9-159.6-124.8 145.7 27.1 -3.7 3.7 42 43 A G E -AB 4 52A 0 -38,-2.9 -38,-2.5 -2,-0.4 2,-0.5 -0.952 10.5-144.4-123.2 147.2 26.7 -0.9 1.2 43 44 A G E -AB 3 51A 0 8,-2.5 7,-3.0 -2,-0.4 8,-1.3 -0.956 21.0-160.5-109.3 124.1 24.0 -0.1 -1.3 44 45 A Y E +AB 2 49A 61 -42,-2.7 -42,-2.3 -2,-0.5 2,-0.3 -0.869 13.7 173.7-111.1 139.4 25.3 1.3 -4.6 45 46 A Y E > - B 0 48A 107 3,-2.5 3,-1.3 -2,-0.4 -2,-0.0 -0.976 67.4 -12.7-146.3 128.0 23.3 3.3 -7.1 46 47 A G T 3 S- 0 0 83 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.801 130.2 -46.5 51.7 36.2 24.5 5.1 -10.3 47 48 A G T 3 S+ 0 0 87 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.566 118.2 100.3 91.1 11.6 28.2 4.7 -9.3 48 49 A K E < S-B 45 0A 86 -3,-1.3 -3,-2.5 0, 0.0 2,-0.6 -0.975 74.0-120.9-136.2 139.1 27.9 5.9 -5.7 49 50 A L E +B 44 0A 35 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.722 43.1 160.4 -71.2 118.2 27.7 4.4 -2.3 50 51 A I E + 0 0 0 -7,-3.0 27,-2.9 -2,-0.6 2,-0.3 0.463 53.1 40.8-126.4 -3.7 24.3 5.7 -1.0 51 52 A S E -BC 43 76A 0 -8,-1.3 -8,-2.5 25,-0.2 2,-0.3 -0.992 59.0-175.2-147.9 144.4 23.3 3.3 1.9 52 53 A I E +BC 42 75A 0 23,-2.5 23,-1.9 -2,-0.3 2,-0.3 -0.964 6.2 173.8-137.5 152.7 25.2 1.7 4.7 53 54 A A E -B 41 0A 0 -12,-1.6 -12,-2.7 -2,-0.3 2,-0.4 -0.934 11.5-158.2-159.9 140.4 24.5 -0.8 7.5 54 55 A S E -BC 40 72A 3 18,-2.3 18,-2.7 -2,-0.3 2,-0.3 -0.959 8.8-172.5-128.2 140.4 26.8 -2.4 10.1 55 56 A F E +BC 39 71A 2 -16,-2.8 -16,-2.4 -2,-0.4 2,-0.3 -0.964 9.5 163.1-135.2 142.2 26.2 -5.6 12.1 56 57 A H E - C 0 70A 7 14,-1.7 14,-2.9 -2,-0.3 2,-0.3 -0.987 44.7 -90.9-154.6 156.3 28.0 -7.4 15.0 57 58 A Q E + C 0 69A 73 -21,-0.8 12,-0.3 -2,-0.3 2,-0.3 -0.502 56.4 146.9 -70.9 126.9 27.1 -10.2 17.5 58 59 A A - 0 0 23 10,-2.0 2,-0.7 -2,-0.3 -2,-0.1 -0.864 36.6-143.8-161.8 121.4 25.7 -8.7 20.7 59 60 A E - 0 0 92 -2,-0.3 2,-0.3 7,-0.1 7,-0.0 -0.841 16.1-142.5 -95.1 118.7 23.1 -10.3 23.0 60 61 A H > - 0 0 38 -2,-0.7 3,-1.5 1,-0.1 5,-0.1 -0.618 9.4-138.0 -77.1 131.3 20.7 -7.8 24.6 61 62 A S T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.725 103.0 49.1 -62.5 -22.9 19.8 -8.8 28.2 62 63 A E T 3 S+ 0 0 119 2,-0.0 2,-0.3 63,-0.0 -1,-0.3 0.317 100.6 75.6-102.6 5.8 16.2 -7.9 27.6 63 64 A L S < S- 0 0 7 -3,-1.5 2,-0.5 2,-0.1 41,-0.0 -0.906 76.1-128.3-119.6 149.1 15.7 -9.8 24.3 64 65 A Q + 0 0 137 -2,-0.3 2,-0.2 39,-0.1 3,-0.1 -0.844 59.0 92.3-106.8 126.5 15.3 -13.6 24.0 65 66 A G - 0 0 26 -2,-0.5 -2,-0.1 -5,-0.1 3,-0.1 -0.447 65.0-124.8 153.5 129.9 17.5 -15.6 21.7 66 67 A Q S S+ 0 0 181 1,-0.2 2,-0.5 -2,-0.2 36,-0.1 0.862 100.8 32.0 -64.7 -39.6 20.8 -17.4 22.2 67 68 A K S S+ 0 0 46 34,-0.2 36,-3.1 -3,-0.1 37,-0.9 -0.986 76.3 171.6-124.7 123.1 22.6 -15.7 19.4 68 69 A Q E - d 0 104A 3 -2,-0.5 -10,-2.0 34,-0.2 2,-0.4 -0.948 18.2-152.7-133.7 150.2 21.8 -12.1 18.5 69 70 A Y E -Cd 57 105A 5 35,-2.0 37,-2.6 -2,-0.3 2,-0.4 -0.958 10.3-142.5-121.6 145.2 23.2 -9.3 16.3 70 71 A Q E -Cd 56 106A 27 -14,-2.9 -14,-1.7 -2,-0.4 2,-0.4 -0.894 9.7-142.7-103.2 136.0 23.0 -5.6 16.6 71 72 A L E +C 55 0A 2 35,-2.6 37,-0.5 -2,-0.4 2,-0.3 -0.836 25.8 171.2 -92.9 130.4 22.5 -3.1 13.7 72 73 A R E +C 54 0A 72 -18,-2.7 -18,-2.3 -2,-0.4 37,-0.0 -0.950 54.4 25.8-129.2 154.9 24.4 0.2 13.9 73 74 A G E + 0 0 8 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.841 65.7 171.8 67.8 37.6 25.0 2.9 11.4 74 75 A M E + 0 0 25 -21,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.709 18.0 146.2 -80.9 118.7 21.9 2.4 9.2 75 76 A A E -C 52 0A 8 -23,-1.9 -23,-2.5 -2,-0.6 2,-0.4 -0.976 33.7-164.7-159.6 140.4 21.7 5.4 6.8 76 77 A T E -C 51 0A 19 -2,-0.3 -25,-0.2 -25,-0.2 5,-0.1 -0.993 33.4-112.6-126.6 135.4 20.7 6.2 3.3 77 78 A L > - 0 0 11 -27,-2.9 3,-2.3 -2,-0.4 4,-0.3 -0.419 35.3-101.5 -67.5 137.4 21.7 9.5 1.5 78 79 A E T 3 S+ 0 0 147 1,-0.3 -1,-0.1 2,-0.2 -60,-0.0 -0.343 113.5 40.4 -52.6 136.2 19.1 12.1 0.7 79 80 A G T 3 S+ 0 0 73 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 -0.042 115.5 55.6 103.8 -26.8 18.3 11.8 -3.0 80 81 A Y S X S+ 0 0 66 -3,-2.3 3,-0.6 -30,-0.1 5,-0.4 0.286 77.4 111.8-126.0 6.2 18.4 8.0 -2.8 81 82 A R T 3 + 0 0 100 -4,-0.3 -2,-0.0 1,-0.2 -30,-0.0 -0.351 67.6 38.6 -72.8 163.3 15.9 7.2 -0.0 82 83 A E T 3 S+ 0 0 177 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.684 86.9 102.2 67.4 21.8 12.6 5.5 -0.8 83 84 A Q S < S- 0 0 94 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.1 0.209 100.1-105.6-112.2 9.3 14.3 3.2 -3.4 84 85 A K S > S+ 0 0 141 3,-0.0 4,-2.1 4,-0.0 5,-0.2 0.638 81.5 132.4 67.5 20.9 14.5 0.1 -1.0 85 86 A A H > S+ 0 0 2 -5,-0.4 4,-2.0 2,-0.2 5,-0.2 0.979 74.8 41.6 -62.2 -53.0 18.2 0.7 -0.5 86 87 A G H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.936 115.3 49.9 -61.0 -48.3 18.0 0.3 3.2 87 88 A S H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.868 108.2 54.5 -57.6 -37.9 15.6 -2.6 3.0 88 89 A S H X S+ 0 0 40 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.913 108.2 48.8 -64.9 -41.0 17.9 -4.4 0.6 89 90 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.922 112.5 48.1 -63.0 -44.9 20.8 -4.1 3.0 90 91 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.935 112.5 47.8 -64.3 -44.2 18.7 -5.5 5.9 91 92 A K H X S+ 0 0 130 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.925 112.7 48.4 -64.1 -41.8 17.4 -8.4 3.9 92 93 A H H X S+ 0 0 68 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.922 112.0 50.3 -61.9 -43.7 20.9 -9.3 2.6 93 94 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.898 104.2 58.5 -62.0 -39.8 22.2 -9.0 6.2 94 95 A E H X S+ 0 0 12 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.883 104.1 52.4 -59.3 -35.3 19.4 -11.3 7.4 95 96 A E H X S+ 0 0 127 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.946 111.6 45.5 -62.1 -46.5 20.7 -14.0 4.9 96 97 A I H X S+ 0 0 44 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.933 115.8 46.4 -62.0 -45.6 24.1 -13.7 6.4 97 98 A L H <>S+ 0 0 0 -4,-3.1 5,-2.6 2,-0.2 4,-0.2 0.900 111.1 50.7 -67.5 -43.3 22.8 -13.8 9.9 98 99 A R H ><5S+ 0 0 117 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.911 109.6 51.5 -58.6 -42.7 20.5 -16.7 9.3 99 100 A K H 3<5S+ 0 0 191 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.7 53.2 -65.5 -30.8 23.4 -18.7 7.8 100 101 A R T 3<5S- 0 0 98 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.406 120.8-109.8 -79.9 -2.5 25.5 -17.8 10.9 101 102 A G T < 5 + 0 0 43 -3,-1.5 -3,-0.2 1,-0.2 -34,-0.2 0.661 60.1 162.2 79.3 16.9 22.7 -19.3 13.2 102 103 A A < - 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