==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JAN-07 2JDD . 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) . 8401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 67.6 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 . 7 4.8 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 71 0, 0.0 2,-0.6 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 134.4 20.7 -1.3 -6.0 2 3 A E E -A 44 0A 122 42,-2.3 42,-2.7 2,-0.0 2,-0.5 -0.930 360.0-151.3-105.2 122.4 23.9 -3.4 -5.9 3 4 A V E +A 43 0A 39 -2,-0.6 40,-0.2 40,-0.2 38,-0.0 -0.804 24.9 167.0 -93.3 127.7 24.7 -4.7 -2.4 4 5 A K E -A 42 0A 90 38,-2.5 38,-3.0 -2,-0.5 2,-0.1 -0.976 39.6-100.4-136.3 152.5 28.4 -5.3 -1.8 5 6 A P E -A 41 0A 111 0, 0.0 2,-0.3 0, 0.0 36,-0.2 -0.457 42.8-174.0 -65.2 146.8 30.7 -5.9 1.2 6 7 A I E -A 40 0A 10 34,-2.0 34,-0.6 -2,-0.1 2,-0.2 -0.915 22.0-111.0-136.2 166.1 32.5 -2.9 2.4 7 8 A N > - 0 0 103 -2,-0.3 3,-1.3 32,-0.1 4,-0.4 -0.576 31.8-108.2 -93.2 160.3 35.2 -2.2 5.0 8 9 A A G > S+ 0 0 18 1,-0.3 3,-2.1 -2,-0.2 4,-0.5 0.911 119.3 56.1 -52.1 -46.1 34.7 -0.4 8.3 9 10 A E G > S+ 0 0 128 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.758 97.3 64.6 -60.1 -24.9 36.7 2.6 7.0 10 11 A D G < S+ 0 0 70 -3,-1.3 4,-0.3 1,-0.2 -1,-0.3 0.580 97.5 56.6 -75.5 -11.8 34.4 2.9 4.0 11 12 A T G <> S+ 0 0 0 -3,-2.1 4,-2.5 -4,-0.4 5,-0.2 0.623 83.0 83.4 -91.0 -16.8 31.4 3.7 6.3 12 13 A Y H <> S+ 0 0 49 -3,-0.7 4,-2.6 -4,-0.5 5,-0.2 0.853 86.2 52.9 -64.7 -39.9 32.9 6.8 8.1 13 14 A E H > S+ 0 0 155 -4,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.939 115.6 39.3 -61.7 -49.2 32.1 9.4 5.4 14 15 A L H >>S+ 0 0 10 -4,-0.3 4,-2.6 2,-0.2 5,-0.7 0.881 114.2 54.3 -71.5 -35.0 28.4 8.5 5.2 15 16 A R H X>S+ 0 0 0 -4,-2.5 5,-2.1 3,-0.2 4,-1.5 0.938 114.2 42.8 -57.6 -46.4 28.1 8.0 9.0 16 17 A H H <5S+ 0 0 61 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.935 117.5 44.6 -66.5 -46.3 29.6 11.5 9.4 17 18 A R H <5S+ 0 0 150 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.903 128.8 22.8 -66.1 -41.9 27.4 13.1 6.7 18 19 A I H <5S+ 0 0 34 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.884 133.1 25.6 -96.4 -45.2 24.1 11.6 7.6 19 20 A L T < < + 0 0 54 -5,-2.1 3,-1.4 1,-0.1 -1,-0.2 -0.330 64.9 146.1-135.4 53.1 26.7 12.6 13.1 21 22 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.739 73.9 55.2 -67.3 -20.7 27.5 15.7 11.1 22 23 A N T 3 S+ 0 0 160 -3,-0.1 -5,-0.1 2,-0.1 -6,-0.0 0.087 99.9 71.3-101.2 24.3 28.0 17.9 14.2 23 24 A Q S < S- 0 0 35 -3,-1.4 -3,-0.1 -7,-0.2 5,-0.1 -0.894 92.9 -84.9-132.2 160.3 30.6 15.8 15.9 24 25 A P > - 0 0 87 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.286 43.1-109.7 -64.0 156.7 34.3 15.0 15.2 25 26 A I G > S+ 0 0 65 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.803 115.7 70.1 -57.5 -32.1 35.0 12.2 12.7 26 27 A E G > S+ 0 0 127 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.759 85.7 67.7 -55.4 -29.4 36.3 10.1 15.5 27 28 A A G < S+ 0 0 31 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.738 97.3 54.3 -64.8 -22.1 32.7 9.8 16.8 28 29 A C G < S+ 0 0 0 -3,-2.0 2,-1.4 -4,-0.3 -1,-0.3 0.463 84.2 88.8 -87.6 -4.3 32.0 7.8 13.6 29 30 A M S < S- 0 0 79 -3,-1.4 -1,-0.1 -4,-0.3 2,-0.1 -0.690 76.7-154.8 -95.5 81.8 34.7 5.3 14.4 30 31 A F > - 0 0 14 -2,-1.4 3,-1.8 1,-0.2 4,-0.3 -0.331 18.3-141.4 -68.0 132.1 32.6 3.0 16.4 31 32 A E G > S+ 0 0 172 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.877 102.2 67.1 -60.6 -30.1 34.3 0.9 19.0 32 33 A S G > S+ 0 0 10 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.727 83.0 73.2 -64.8 -20.3 31.9 -1.9 18.0 33 34 A D G < S+ 0 0 20 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.754 95.3 54.4 -60.3 -21.8 33.5 -2.0 14.6 34 35 A L G < S+ 0 0 159 -3,-2.2 -1,-0.3 -4,-0.3 2,-0.3 0.230 85.5 109.5 -98.9 12.0 36.5 -3.7 16.4 35 36 A L S X S- 0 0 91 -3,-1.7 3,-1.9 1,-0.1 22,-0.1 -0.636 84.4 -79.1 -87.7 149.8 34.3 -6.4 18.0 36 37 A R T 3 S+ 0 0 235 -2,-0.3 21,-0.7 1,-0.2 -1,-0.1 -0.139 110.8 6.0 -51.5 129.8 34.7 -10.0 16.8 37 38 A G T 3 S+ 0 0 37 1,-0.2 -1,-0.2 19,-0.1 18,-0.1 0.510 83.1 161.4 80.9 5.2 32.9 -10.9 13.6 38 39 A A < - 0 0 30 -3,-1.9 2,-0.3 -5,-0.1 18,-0.2 -0.310 13.1-179.7 -53.7 139.9 31.8 -7.3 12.7 39 40 A F E - B 0 55A 25 16,-2.4 16,-2.9 -32,-0.1 2,-0.3 -0.968 14.3-150.8-144.3 161.7 30.8 -6.9 9.0 40 41 A H E -AB 6 54A 16 -34,-0.6 -34,-2.0 -2,-0.3 2,-0.4 -0.982 2.7-159.4-137.6 143.3 29.6 -4.0 6.8 41 42 A L E -AB 5 53A 5 12,-2.6 12,-1.6 -2,-0.3 2,-0.4 -0.951 5.3-157.9-126.2 143.4 27.4 -3.8 3.7 42 43 A G E -AB 4 52A 0 -38,-3.0 -38,-2.5 -2,-0.4 2,-0.5 -0.942 9.6-145.9-119.2 142.7 27.2 -1.0 1.1 43 44 A G E -AB 3 51A 0 8,-2.8 7,-3.0 -2,-0.4 8,-1.2 -0.942 22.2-162.7-105.1 122.8 24.4 -0.2 -1.3 44 45 A Y E +AB 2 49A 59 -42,-2.7 -42,-2.3 -2,-0.5 2,-0.3 -0.876 14.0 170.6-111.4 139.9 25.7 1.2 -4.6 45 46 A Y E > - B 0 48A 117 3,-2.5 3,-1.3 -2,-0.4 -2,-0.0 -0.967 66.7 -8.6-149.8 131.7 23.8 3.1 -7.2 46 47 A G T 3 S- 0 0 82 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.766 130.0 -49.7 54.9 31.9 24.9 4.9 -10.3 47 48 A G T 3 S+ 0 0 86 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.600 118.0 101.5 87.3 14.4 28.6 4.5 -9.4 48 49 A K E < S-B 45 0A 91 -3,-1.3 -3,-2.5 0, 0.0 2,-0.6 -0.976 74.5-119.9-133.3 141.1 28.3 5.8 -5.8 49 50 A L E +B 44 0A 34 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.728 43.2 160.7 -71.5 117.8 28.1 4.3 -2.3 50 51 A I E + 0 0 0 -7,-3.0 27,-2.7 -2,-0.6 2,-0.3 0.482 53.0 39.0-125.8 -2.5 24.7 5.5 -1.1 51 52 A S E -BC 43 76A 0 -8,-1.2 -8,-2.8 25,-0.2 2,-0.3 -0.990 59.0-173.7-150.7 144.2 23.7 3.3 1.8 52 53 A I E +BC 42 75A 0 23,-2.5 23,-2.0 -2,-0.3 2,-0.3 -0.961 6.7 174.1-138.0 152.6 25.5 1.7 4.7 53 54 A A E -B 41 0A 0 -12,-1.6 -12,-2.6 -2,-0.3 2,-0.4 -0.943 10.9-159.8-159.5 138.0 24.9 -0.8 7.5 54 55 A S E -BC 40 72A 3 18,-2.3 18,-2.8 -2,-0.3 2,-0.3 -0.964 8.0-172.1-127.3 140.6 27.1 -2.4 10.1 55 56 A F E +BC 39 71A 2 -16,-2.9 -16,-2.4 -2,-0.4 2,-0.3 -0.970 9.7 162.9-134.2 143.0 26.5 -5.6 12.1 56 57 A H E - C 0 70A 7 14,-1.6 14,-2.9 -2,-0.3 2,-0.3 -0.981 44.9 -91.0-155.8 156.8 28.3 -7.3 15.0 57 58 A Q E + C 0 69A 73 -21,-0.7 12,-0.3 -2,-0.3 2,-0.3 -0.504 55.7 148.3 -72.5 127.5 27.4 -10.0 17.6 58 59 A A - 0 0 23 10,-2.2 2,-0.7 -2,-0.3 -2,-0.1 -0.842 35.8-144.4-161.4 120.0 26.0 -8.5 20.8 59 60 A E - 0 0 94 -2,-0.3 2,-0.4 7,-0.1 7,-0.0 -0.829 15.5-145.1 -95.0 118.2 23.4 -10.1 23.2 60 61 A H > - 0 0 38 -2,-0.7 3,-1.7 1,-0.1 5,-0.1 -0.664 10.1-137.6 -81.2 127.3 21.0 -7.6 24.7 61 62 A S T 3 S+ 0 0 105 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.725 102.1 50.1 -57.2 -24.7 20.0 -8.5 28.3 62 63 A E T 3 S+ 0 0 118 2,-0.0 2,-0.4 63,-0.0 -1,-0.3 0.233 100.7 72.1-102.9 9.1 16.4 -7.6 27.6 63 64 A L S < S- 0 0 4 -3,-1.7 2,-0.5 2,-0.1 41,-0.0 -0.956 77.4-131.0-122.0 147.6 16.0 -9.6 24.4 64 65 A Q + 0 0 141 -2,-0.4 2,-0.2 39,-0.1 3,-0.1 -0.858 56.6 95.6-107.8 128.9 15.8 -13.3 24.3 65 66 A G - 0 0 24 -2,-0.5 3,-0.1 -5,-0.1 -2,-0.1 -0.489 64.8-123.5 156.3 133.2 17.8 -15.4 21.9 66 67 A Q S S+ 0 0 183 1,-0.2 2,-0.5 -2,-0.2 36,-0.1 0.861 101.3 32.6 -65.8 -39.1 21.1 -17.2 22.4 67 68 A K S S+ 0 0 45 34,-0.2 36,-3.4 -3,-0.1 37,-0.9 -0.983 76.3 171.8-123.5 118.6 23.0 -15.5 19.5 68 69 A Q E - d 0 104A 4 -2,-0.5 -10,-2.2 34,-0.2 2,-0.4 -0.937 16.9-154.3-129.2 150.3 22.1 -11.9 18.7 69 70 A Y E -Cd 57 105A 5 35,-2.2 37,-2.6 -2,-0.3 2,-0.4 -0.958 9.6-141.7-123.7 145.0 23.5 -9.2 16.4 70 71 A Q E -Cd 56 106A 26 -14,-2.9 -14,-1.6 -2,-0.4 2,-0.5 -0.894 9.6-142.5-105.1 135.3 23.3 -5.4 16.7 71 72 A L E +C 55 0A 2 35,-2.7 37,-0.4 -2,-0.4 2,-0.3 -0.831 26.5 172.2 -89.2 129.4 22.8 -3.1 13.7 72 73 A R E +C 54 0A 66 -18,-2.8 -18,-2.3 -2,-0.5 35,-0.0 -0.930 53.3 24.2-129.7 156.3 24.7 0.2 13.8 73 74 A G E + 0 0 9 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.828 66.5 172.7 63.8 38.6 25.3 3.0 11.3 74 75 A M E + 0 0 26 -21,-0.1 2,-0.3 -3,-0.1 -21,-0.2 -0.709 17.3 145.5 -81.1 117.9 22.2 2.5 9.1 75 76 A A E -C 52 0A 7 -23,-2.0 -23,-2.5 -2,-0.6 2,-0.4 -0.983 33.8-165.0-158.3 141.8 22.0 5.3 6.7 76 77 A T E -C 51 0A 20 -2,-0.3 -25,-0.2 -25,-0.2 5,-0.1 -0.995 34.2-111.3-127.3 137.1 21.0 6.2 3.1 77 78 A L > - 0 0 9 -27,-2.7 3,-2.4 -2,-0.4 4,-0.3 -0.399 36.2-101.0 -67.9 137.6 22.0 9.4 1.4 78 79 A E T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.2 -60,-0.0 -0.318 113.4 38.3 -53.2 137.5 19.4 12.0 0.6 79 80 A G T 3 S+ 0 0 74 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.009 114.6 57.8 101.5 -25.4 18.6 11.6 -3.1 80 81 A Y S X S+ 0 0 68 -3,-2.4 3,-0.5 -30,-0.1 5,-0.4 0.278 77.9 111.8-124.0 7.9 18.8 7.9 -2.9 81 82 A R T 3 + 0 0 99 -4,-0.3 -30,-0.0 1,-0.2 -4,-0.0 -0.337 66.0 38.6 -73.7 163.0 16.2 7.1 -0.3 82 83 A E T 3 S+ 0 0 181 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.695 87.0 101.0 67.8 24.4 12.9 5.3 -1.0 83 84 A Q S < S- 0 0 105 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.189 100.6-104.1-117.5 10.4 14.7 3.0 -3.5 84 85 A K S > S+ 0 0 140 3,-0.0 4,-2.3 4,-0.0 5,-0.2 0.626 81.4 132.3 69.0 19.5 14.9 -0.1 -1.2 85 86 A A H > S+ 0 0 2 -5,-0.4 4,-2.0 2,-0.2 5,-0.2 0.985 76.0 39.9 -61.5 -55.0 18.7 0.6 -0.6 86 87 A G H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 115.5 51.5 -61.1 -45.3 18.4 0.2 3.2 87 88 A S H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.885 107.9 53.5 -58.2 -39.4 15.9 -2.7 2.9 88 89 A S H X S+ 0 0 40 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.892 108.5 49.2 -65.9 -39.2 18.3 -4.5 0.6 89 90 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.925 112.6 47.6 -63.2 -44.4 21.2 -4.2 3.0 90 91 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.931 112.6 48.2 -66.3 -42.7 19.1 -5.5 5.9 91 92 A K H X S+ 0 0 123 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.924 112.5 48.3 -64.3 -42.0 17.8 -8.5 3.9 92 93 A H H X S+ 0 0 69 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.922 112.0 50.3 -62.4 -42.9 21.2 -9.4 2.7 93 94 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.897 104.4 58.3 -61.5 -40.5 22.5 -9.1 6.3 94 95 A E H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.875 104.6 51.4 -58.7 -36.1 19.7 -11.3 7.5 95 96 A E H X S+ 0 0 127 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.934 111.9 46.1 -64.6 -44.7 20.9 -14.1 5.1 96 97 A I H X S+ 0 0 46 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.922 116.1 45.8 -62.5 -43.6 24.5 -13.8 6.5 97 98 A L H <>S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 -2,-0.2 0.900 111.0 51.2 -69.6 -41.2 23.1 -13.8 10.1 98 99 A R H ><5S+ 0 0 119 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.915 109.7 51.4 -62.1 -41.7 20.8 -16.7 9.5 99 100 A K H 3<5S+ 0 0 192 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.862 108.0 52.6 -63.6 -35.7 23.7 -18.7 8.0 100 101 A R T 3<5S- 0 0 100 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.397 119.6-111.5 -76.6 -2.1 25.7 -17.8 11.2 101 102 A G T < 5 + 0 0 42 -3,-1.5 -3,-0.2 1,-0.2 -34,-0.2 0.744 58.9 162.6 73.7 23.8 22.9 -19.2 13.4 102 103 A A < - 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