==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-AUG-09 3IT6 . COMPND 2 MOLECULE: ARGININE BIOSYNTHESIS BIFUNCTIONAL PROTEIN ARGJ . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.SANKARANARAYANAN,M.M.CHERNEY,C.GAREN,G.GAREN,M.YUAN, . 798 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 17.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 51 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 0 0 1 0 5 2 2 0 0 2 4 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 2 2 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 . 8 2 3 3 3 6 3 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 2 1 3 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 7 A T 0 0 114 0, 0.0 2,-0.3 0, 0.0 170,-0.0 0.000 360.0 360.0 360.0 95.6 11.8 38.6 -3.5 2 8 A T - 0 0 44 170,-0.1 2,-0.4 168,-0.0 170,-0.2 -0.630 360.0-167.4 -75.6 132.5 13.5 35.6 -1.9 3 9 A R E -A 171 0A 148 168,-3.0 168,-3.4 -2,-0.3 2,-0.5 -0.983 20.5-154.9-133.7 136.4 11.1 33.4 0.1 4 10 A L E -A 170 0A 48 -2,-0.4 2,-0.4 166,-0.3 166,-0.3 -0.930 26.3-176.0-108.5 120.0 11.4 30.5 2.6 5 11 A L E -A 169 0A 52 164,-3.3 164,-1.7 -2,-0.5 3,-0.4 -0.955 19.6-152.3-130.0 128.8 8.3 28.3 2.7 6 12 A R S S+ 0 0 129 -2,-0.4 162,-0.2 162,-0.2 3,-0.1 -0.173 80.4 56.1 -76.9-178.5 7.1 25.3 4.7 7 13 A A S S+ 0 0 80 160,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.650 98.2 93.3 60.7 18.1 4.7 22.7 3.3 8 14 A Q + 0 0 38 -3,-0.4 172,-0.3 172,-0.1 -1,-0.2 -0.990 49.7 151.7-141.1 147.4 7.3 22.3 0.6 9 15 A G > - 0 0 0 -2,-0.3 3,-1.3 158,-0.2 172,-0.1 -0.148 53.4 -18.1-144.5-134.4 10.2 19.9 0.3 10 16 A V T 3 S+ 0 0 1 1,-0.3 169,-0.2 169,-0.2 171,-0.1 0.649 122.7 54.2 -75.5 -19.4 12.6 17.9 -1.8 11 17 A T T 3 S+ 0 0 9 137,-0.2 -1,-0.3 1,-0.2 5,-0.2 0.218 84.3 88.1 -98.4 13.5 10.6 18.1 -5.1 12 18 A A S < S+ 0 0 23 -3,-1.3 -1,-0.2 136,-0.1 -2,-0.2 0.886 77.7 68.2 -72.8 -45.1 10.4 21.9 -5.0 13 19 A P S > S- 0 0 2 0, 0.0 3,-0.5 0, 0.0 2,-0.2 -0.474 99.7-104.6 -70.6 151.4 13.6 22.4 -6.9 14 20 A A T 3 S+ 0 0 50 1,-0.2 231,-0.5 -2,-0.1 229,-0.3 -0.509 98.9 45.2 -76.2 144.7 13.5 21.2 -10.5 15 21 A G T 3 S+ 0 0 10 1,-0.3 24,-2.8 -2,-0.2 25,-0.7 0.625 89.1 103.0 101.1 18.7 15.2 17.9 -11.4 16 22 A F E < -G 38 0B 2 -3,-0.5 2,-0.3 22,-0.2 -1,-0.3 -0.995 42.9-171.6-138.2 134.8 13.9 15.8 -8.5 17 23 A R E +G 37 0B 72 20,-2.3 20,-3.2 -2,-0.4 2,-0.3 -0.907 14.2 179.2-115.5 155.6 11.3 13.1 -8.1 18 24 A A E +GH 36 145B 0 127,-2.5 127,-1.4 -2,-0.3 2,-0.3 -0.989 7.6 170.7-152.1 154.5 10.2 11.6 -4.8 19 25 A A E -G 35 0B 0 16,-1.8 16,-2.3 -2,-0.3 2,-0.4 -0.982 16.6-151.5-157.2 163.9 7.8 9.1 -3.3 20 26 A G E +G 34 0B 5 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.986 18.4 179.6-141.0 130.8 6.9 7.2 -0.1 21 27 A V E -G 33 0B 6 12,-2.4 11,-2.4 -2,-0.4 12,-1.9 -0.905 33.6-114.8-128.4 156.2 5.3 3.8 0.2 22 28 A A + 0 0 48 -2,-0.3 9,-0.2 9,-0.3 8,-0.0 -0.850 34.4 172.9 -87.2 117.1 4.2 1.4 3.0 23 29 A A - 0 0 19 -2,-0.7 113,-0.1 7,-0.3 -1,-0.1 0.562 51.2-108.4-102.6 -13.3 6.4 -1.6 2.6 24 30 A G S S+ 0 0 29 6,-0.4 109,-0.1 2,-0.1 108,-0.1 0.529 88.3 118.6 90.6 7.4 5.4 -3.6 5.7 25 31 A I S S+ 0 0 19 5,-0.1 2,-0.6 107,-0.1 6,-0.1 0.859 71.7 62.6 -65.8 -37.0 8.7 -2.9 7.5 26 32 A K S > S- 0 0 34 4,-0.3 3,-2.3 1,-0.1 -2,-0.1 -0.824 82.6-144.4 -91.5 124.4 6.5 -1.1 10.0 27 33 A A T 3 S+ 0 0 116 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.773 100.5 63.7 -53.0 -29.0 4.0 -3.4 11.8 28 34 A S T 3 S- 0 0 93 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.627 105.2-127.9 -70.7 -19.2 1.6 -0.5 11.7 29 35 A G < + 0 0 46 -3,-2.3 -2,-0.1 1,-0.2 2,-0.1 0.639 61.7 139.8 73.9 13.4 1.4 -0.4 7.8 30 36 A A - 0 0 48 1,-0.2 -6,-0.4 -9,-0.0 -4,-0.3 -0.391 67.6 -69.6 -78.1 166.8 2.3 3.3 7.8 31 37 A L + 0 0 54 -9,-0.2 -9,-0.3 1,-0.1 -1,-0.2 -0.255 61.0 155.8 -58.6 141.2 4.7 4.7 5.2 32 38 A D + 0 0 0 -11,-2.4 46,-2.5 1,-0.2 2,-0.4 0.406 47.8 69.9-152.1 -1.8 8.3 3.5 5.8 33 39 A L E -GI 21 77B 0 -12,-1.9 -12,-2.4 44,-0.2 2,-0.4 -0.982 54.7-177.5-128.6 123.4 10.2 3.7 2.5 34 40 A A E -GI 20 76B 0 42,-3.4 42,-2.9 -2,-0.4 2,-0.4 -0.936 6.9-166.2-119.7 141.8 11.2 6.9 0.8 35 41 A L E -GI 19 75B 0 -16,-2.3 -16,-1.8 -2,-0.4 2,-0.4 -0.993 3.9-171.3-125.4 133.1 13.0 7.5 -2.5 36 42 A V E -GI 18 74B 0 38,-2.4 38,-2.5 -2,-0.4 2,-0.4 -0.991 15.7-166.9-118.9 130.8 14.5 10.8 -3.7 37 43 A F E -GI 17 73B 2 -20,-3.2 -20,-2.3 -2,-0.4 2,-0.7 -0.978 17.7-142.0-130.4 128.1 15.7 10.8 -7.3 38 44 A N E -G 16 0B 0 34,-3.4 -22,-0.2 -2,-0.4 -23,-0.1 -0.815 9.5-169.3 -88.6 111.3 17.9 13.2 -9.3 39 45 A E - 0 0 81 -24,-2.8 -23,-0.1 -2,-0.7 -1,-0.1 0.670 42.8-172.9 -69.6 -19.4 16.6 13.6 -12.9 40 46 A G S S+ 0 0 8 -25,-0.7 -1,-0.2 2,-0.3 205,-0.2 -0.508 74.4 174.1 98.9-172.9 19.8 15.5 -14.0 41 47 A P S S+ 0 0 94 0, 0.0 2,-0.2 0, 0.0 203,-0.2 -0.971 103.4 31.6 -71.9 -21.5 21.5 17.1 -15.9 42 48 A D - 0 0 68 201,-2.6 -2,-0.3 1,-0.1 203,-0.1 -0.609 53.5-172.5 -98.3 159.1 23.8 17.3 -12.9 43 49 A Y + 0 0 40 -2,-0.2 28,-2.4 26,-0.1 200,-0.2 0.066 29.1 150.8-136.7 24.1 24.5 14.8 -10.1 44 50 A A E +BC 70 242A 12 198,-0.6 198,-2.5 26,-0.2 2,-0.3 -0.329 20.5 174.3 -63.2 140.0 26.8 16.7 -7.7 45 51 A A E - C 0 241A 3 24,-1.6 2,-0.3 196,-0.2 196,-0.2 -0.971 22.2-168.0-146.4 156.8 26.5 15.7 -4.0 46 52 A A E - C 0 240A 6 194,-1.5 194,-2.5 -2,-0.3 2,-0.3 -0.981 12.1-165.5-142.2 155.8 27.9 16.2 -0.5 47 53 A G E - C 0 239A 12 -2,-0.3 2,-0.3 192,-0.2 192,-0.2 -0.999 11.7-167.9-144.3 143.1 27.3 14.3 2.7 48 54 A V E - C 0 238A 3 190,-2.3 190,-2.4 -2,-0.3 2,-0.3 -0.984 18.3-169.3-127.1 148.0 27.9 14.6 6.5 49 55 A F E - C 0 237A 8 144,-3.0 144,-2.3 -2,-0.3 188,-0.2 -0.878 31.9 -73.9-137.2 161.5 27.6 11.8 9.0 50 56 A T B -K 192 0C 1 186,-2.2 142,-0.2 -2,-0.3 -1,-0.1 -0.210 28.0-147.5 -53.8 135.6 27.4 11.0 12.7 51 57 A R + 0 0 151 140,-2.2 -1,-0.2 182,-0.0 141,-0.1 0.424 59.3 128.1 -88.2 1.1 30.8 11.2 14.4 52 58 A N - 0 0 0 181,-0.4 675,-0.2 139,-0.3 672,-0.1 -0.276 63.9-136.7 -49.1 136.7 29.6 8.4 16.6 53 59 A Q S S+ 0 0 80 673,-2.3 2,-0.9 670,-0.2 -1,-0.1 0.740 95.4 69.3 -79.0 -20.4 32.2 5.6 16.6 54 60 A V S S- 0 0 6 669,-0.2 2,-0.5 668,-0.2 -1,-0.2 -0.877 75.6-177.6 -94.3 104.6 29.5 3.1 16.3 55 61 A K - 0 0 53 -2,-0.9 29,-0.2 -4,-0.1 180,-0.2 -0.915 24.1-121.4-107.6 129.1 28.1 3.7 12.7 56 62 A A >> - 0 0 0 178,-2.6 4,-2.2 -2,-0.5 3,-0.6 -0.240 30.7-106.7 -58.5 149.6 25.2 1.8 11.1 57 63 A A H 3> S+ 0 0 7 25,-1.4 4,-2.6 1,-0.2 5,-0.2 0.851 120.7 55.1 -47.1 -45.6 25.8 -0.1 7.9 58 64 A P H 3> S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 60,-0.4 0.895 108.0 49.0 -57.2 -41.4 23.9 2.6 5.9 59 65 A V H <> S+ 0 0 1 -3,-0.6 4,-2.3 175,-0.2 -2,-0.2 0.921 112.2 48.8 -61.7 -44.8 26.2 5.3 7.2 60 66 A L H X S+ 0 0 69 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.896 114.2 45.3 -62.3 -43.1 29.2 3.2 6.3 61 67 A W H >X S+ 0 0 17 -4,-2.6 4,-2.4 -5,-0.2 3,-0.6 0.967 113.0 49.1 -63.2 -53.4 27.9 2.5 2.8 62 68 A T H 3X S+ 0 0 0 -4,-2.7 4,-2.2 56,-0.4 -2,-0.2 0.825 105.9 57.5 -63.9 -33.0 26.9 6.1 2.1 63 69 A Q H 3< S+ 0 0 65 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.886 110.3 43.7 -60.4 -41.3 30.3 7.5 3.3 64 70 A Q H X< S+ 0 0 104 -4,-1.2 3,-1.4 -3,-0.6 4,-0.3 0.929 112.8 52.9 -68.6 -47.7 32.2 5.4 0.7 65 71 A V H ><>S+ 0 0 3 -4,-2.4 3,-1.4 1,-0.2 5,-0.5 0.879 103.8 57.5 -52.1 -43.0 29.6 6.3 -2.0 66 72 A L G ><5S+ 0 0 23 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.601 82.1 81.8 -73.7 -8.2 30.1 10.0 -1.3 67 73 A T G < 5S+ 0 0 127 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.763 90.5 56.8 -65.9 -20.5 33.8 10.0 -2.0 68 74 A T G < 5S- 0 0 74 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.630 101.5-136.4 -77.6 -16.8 32.7 10.2 -5.7 69 75 A G T < 5 + 0 0 12 -3,-1.4 -24,-1.6 1,-0.2 2,-0.4 0.707 69.0 117.0 63.3 20.7 30.7 13.5 -5.1 70 76 A R B < +B 44 0A 97 -5,-0.5 2,-0.3 -26,-0.2 -1,-0.2 -0.974 35.5 164.2-130.0 126.8 28.1 11.8 -7.2 71 77 A L + 0 0 0 -28,-2.4 45,-0.2 -2,-0.4 171,-0.1 -0.993 18.7 173.4-139.5 136.4 24.5 10.7 -6.4 72 78 A R S S+ 0 0 23 43,-3.0 -34,-3.4 -2,-0.3 2,-0.3 0.702 75.0 8.3-100.3 -30.4 21.6 9.7 -8.5 73 79 A A E -Ij 37 116B 0 42,-1.7 44,-2.9 -36,-0.2 2,-0.4 -0.980 50.9-146.4-150.4 154.7 19.3 8.6 -5.7 74 80 A V E -Ij 36 117B 0 -38,-2.5 -38,-2.4 -2,-0.3 2,-0.5 -0.998 15.3-166.9-121.2 123.1 18.7 8.4 -2.0 75 81 A I E -Ij 35 118B 3 42,-3.1 44,-2.7 -2,-0.4 2,-0.4 -0.959 13.0-179.5-107.8 124.7 16.8 5.4 -0.6 76 82 A L E -Ij 34 119B 0 -42,-2.9 -42,-3.4 -2,-0.5 2,-0.4 -0.990 7.5-170.6-130.5 128.8 15.6 5.8 3.0 77 83 A N E -Ij 33 120B 6 42,-1.9 44,-1.2 -2,-0.4 -44,-0.2 -0.943 5.9-163.2-115.7 142.6 13.7 3.4 5.3 78 84 A S + 0 0 0 -46,-2.5 44,-0.2 79,-0.4 82,-0.1 -0.455 67.6 66.2 -98.2-175.0 12.1 3.8 8.7 79 85 A G S S+ 0 0 34 -2,-0.2 43,-0.3 80,-0.1 -1,-0.1 0.657 107.2 33.7 73.5 17.0 11.1 0.9 10.9 80 86 A G B -L 121 0D 7 41,-2.8 41,-0.8 -3,-0.2 42,-0.2 -0.424 59.2-148.9 163.4 126.1 14.8 -0.2 11.5 81 87 A A - 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