==== 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 3IT4 . 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, . 786 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 17.3 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 . 44 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 0 0 6 1 3 0 0 2 4 0 0 0 0 0 0 2 2 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 2 4 4 6 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 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 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 0 111 0, 0.0 2,-0.3 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 69.9 7.0 -9.7 63.0 2 8 A T - 0 0 44 168,-0.1 2,-0.4 171,-0.0 170,-0.2 -0.530 360.0-172.0 -65.4 126.3 6.8 -6.5 60.9 3 9 A R E -A 171 0A 128 168,-1.6 168,-2.6 -2,-0.3 2,-0.6 -0.966 24.5-149.2-128.2 140.5 3.1 -5.6 60.5 4 10 A L E -A 170 0A 54 -2,-0.4 2,-0.5 166,-0.2 166,-0.2 -0.945 27.6-171.1-106.6 115.8 1.2 -3.1 58.4 5 11 A L E -A 169 0A 46 164,-3.2 164,-1.6 -2,-0.6 3,-0.5 -0.934 12.8-150.4-124.2 119.0 -1.9 -2.0 60.2 6 12 A R E S+A 168 0A 136 -2,-0.5 162,-0.2 162,-0.2 3,-0.1 -0.276 79.8 43.4 -76.6 165.9 -4.9 0.1 59.1 7 13 A A S S+ 0 0 81 160,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.697 98.3 94.8 66.0 20.6 -7.1 2.3 61.4 8 14 A Q + 0 0 42 -3,-0.5 172,-0.4 172,-0.1 -1,-0.2 -0.988 50.6 150.6-135.7 141.0 -3.8 3.4 63.0 9 15 A G > - 0 0 2 -2,-0.3 3,-2.0 158,-0.2 172,-0.2 -0.127 52.9 -11.5-142.8-130.4 -2.0 6.6 62.0 10 16 A V T 3 S+ 0 0 0 1,-0.3 169,-0.2 141,-0.2 171,-0.1 0.653 124.9 51.7 -71.5 -16.4 0.2 9.4 63.0 11 17 A T T 3 S+ 0 0 10 137,-0.2 -1,-0.3 1,-0.1 5,-0.2 0.366 84.4 89.6 -98.4 6.0 0.0 8.8 66.8 12 18 A A S < S+ 0 0 23 -3,-2.0 -2,-0.2 156,-0.1 -1,-0.1 0.935 79.1 66.3 -62.1 -47.8 1.0 5.1 66.4 13 19 A P S > S- 0 0 2 0, 0.0 3,-0.6 0, 0.0 2,-0.1 -0.461 98.5-104.5 -72.0 152.9 4.7 5.9 66.8 14 20 A A T 3 S+ 0 0 54 1,-0.2 231,-0.4 -2,-0.1 229,-0.2 -0.404 98.5 45.5 -74.2 150.8 5.9 7.3 70.1 15 21 A G T 3 S+ 0 0 10 1,-0.2 24,-3.4 230,-0.1 25,-0.6 0.583 91.1 104.8 94.7 14.7 6.7 11.0 70.5 16 22 A F E < -F 38 0B 4 -3,-0.6 2,-0.3 22,-0.2 -1,-0.2 -0.986 42.1-175.9-133.2 133.9 3.6 12.3 68.7 17 23 A R E +F 37 0B 62 20,-2.4 20,-2.9 -2,-0.4 2,-0.3 -0.858 12.8 171.8-115.1 160.8 0.3 13.9 69.8 18 24 A A E +FG 36 145B 0 127,-2.1 127,-2.1 -2,-0.3 2,-0.3 -0.987 8.5 173.6-157.9 163.1 -2.7 14.8 67.5 19 25 A A E -F 35 0B 0 16,-1.6 16,-2.2 -2,-0.3 2,-0.3 -0.967 15.4-148.3-159.3 169.4 -6.3 16.1 67.5 20 26 A G E -F 34 0B 3 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.978 18.7-178.6-145.6 135.8 -9.0 17.3 65.3 21 27 A V E -F 33 0B 2 12,-2.7 11,-2.8 -2,-0.3 12,-1.9 -0.880 35.1-114.5-132.3 160.7 -11.8 19.8 66.0 22 28 A A + 0 0 49 9,-0.3 9,-0.2 -2,-0.3 -2,-0.0 -0.849 34.7 174.0 -92.2 98.1 -14.8 21.4 64.4 23 29 A A - 0 0 18 -2,-0.9 113,-0.2 7,-0.2 -1,-0.1 0.462 53.1-107.7 -88.0 0.7 -13.7 25.0 64.2 24 30 A G S S+ 0 0 31 6,-0.4 109,-0.1 2,-0.1 108,-0.1 0.563 87.6 122.0 80.5 9.3 -16.8 26.2 62.2 25 31 A I + 0 0 18 5,-0.2 2,-0.4 107,-0.1 6,-0.1 0.914 67.3 62.4 -64.1 -46.4 -14.8 26.5 59.0 26 32 A K S > S- 0 0 35 4,-0.4 3,-1.2 1,-0.1 -2,-0.1 -0.702 82.1-140.4 -82.0 131.0 -17.1 24.1 57.4 27 33 A A T 3 S+ 0 0 116 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.866 105.5 60.7 -54.4 -36.7 -20.8 25.1 57.2 28 34 A S T 3 S- 0 0 94 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.816 106.1-131.1 -58.1 -33.5 -21.6 21.5 58.0 29 35 A G < + 0 0 41 -3,-1.2 -2,-0.1 1,-0.2 3,-0.1 0.690 55.7 147.3 78.6 19.7 -19.7 21.8 61.3 30 36 A A - 0 0 46 1,-0.2 -4,-0.4 2,-0.0 -6,-0.4 -0.329 65.6 -69.8 -70.1 165.3 -17.8 18.6 60.7 31 37 A L + 0 0 56 -9,-0.2 -9,-0.3 1,-0.1 -1,-0.2 -0.365 64.0 158.1 -54.9 135.7 -14.2 18.3 62.0 32 38 A D + 0 0 0 -11,-2.8 46,-2.4 1,-0.2 2,-0.4 0.326 46.5 68.4-150.2 0.0 -12.1 20.7 59.9 33 39 A L E -FH 21 77B 1 -12,-1.9 -12,-2.7 44,-0.2 2,-0.3 -0.972 55.7-176.7-136.0 122.0 -9.0 21.4 61.8 34 40 A A E -FH 20 76B 0 42,-3.3 42,-2.9 -2,-0.4 2,-0.4 -0.896 6.7-165.7-118.4 145.5 -6.1 19.0 62.6 35 41 A L E -FH 19 75B 0 -16,-2.2 -16,-1.6 -2,-0.3 2,-0.5 -0.994 5.4-171.1-129.6 134.1 -2.9 19.2 64.6 36 42 A V E -FH 18 74B 0 38,-2.4 38,-2.4 -2,-0.4 2,-0.5 -0.996 15.7-167.1-122.0 124.9 0.1 16.9 64.6 37 43 A F E -FH 17 73B 2 -20,-2.9 -20,-2.4 -2,-0.5 2,-0.6 -0.938 14.8-144.1-119.8 129.7 2.6 17.7 67.4 38 44 A N E -F 16 0B 0 34,-3.1 -22,-0.2 -2,-0.5 -23,-0.1 -0.822 8.4-169.5 -93.2 121.3 6.1 16.3 67.7 39 45 A E - 0 0 88 -24,-3.4 -23,-0.1 -2,-0.6 -1,-0.1 0.490 39.5-176.6 -83.9 -5.7 7.1 15.7 71.4 40 46 A G + 0 0 5 -25,-0.6 -1,-0.3 2,-0.3 205,-0.2 -0.371 68.0 179.8 79.4-164.2 10.8 15.2 70.5 41 47 A P S S+ 0 0 89 0, 0.0 2,-0.2 0, 0.0 203,-0.2 -0.960 103.3 30.5 -67.7 -22.9 13.5 14.5 71.5 42 48 A D - 0 0 69 201,-3.0 -2,-0.3 1,-0.1 203,-0.1 -0.614 58.0-169.3-100.5 158.3 14.3 14.9 67.8 43 49 A Y + 0 0 47 -2,-0.2 28,-2.5 -4,-0.1 200,-0.1 0.144 30.0 149.0-135.2 18.4 12.6 17.2 65.3 44 50 A A B +J 70 0C 12 198,-0.4 198,-2.5 26,-0.2 2,-0.3 -0.237 20.4 173.3 -58.9 143.5 14.0 16.1 62.0 45 51 A A E -B 241 0A 3 24,-1.7 2,-0.3 196,-0.2 196,-0.2 -0.991 21.1-169.1-152.6 154.1 11.6 16.6 59.0 46 52 A A E -B 240 0A 7 194,-1.9 194,-2.7 -2,-0.3 2,-0.3 -0.964 12.9-172.6-140.1 153.5 11.4 16.3 55.2 47 53 A G E -B 239 0A 12 -2,-0.3 2,-0.3 192,-0.2 192,-0.2 -0.995 13.1-163.0-148.0 150.3 8.7 17.5 52.8 48 54 A V E -B 238 0A 4 190,-2.6 190,-2.7 -2,-0.3 2,-0.3 -0.973 18.0-168.0-132.4 154.2 7.6 17.3 49.2 49 55 A F E -B 237 0A 9 144,-2.6 144,-2.5 -2,-0.3 188,-0.2 -0.897 31.7 -67.5-142.5 162.8 5.1 19.5 47.5 50 56 A T B -K 192 0D 2 186,-2.1 142,-0.2 -2,-0.3 -1,-0.1 -0.145 28.3-148.1 -54.5 135.8 3.0 20.0 44.3 51 57 A R + 0 0 149 140,-2.5 -1,-0.1 182,-0.0 141,-0.1 0.441 59.6 125.4 -82.9 -1.7 4.9 20.8 41.1 52 58 A N - 0 0 0 181,-0.4 672,-0.2 139,-0.3 671,-0.1 -0.310 65.5-136.3 -50.4 131.0 2.0 22.9 40.0 53 59 A Q S S+ 0 0 75 670,-2.3 2,-0.8 667,-0.1 -1,-0.1 0.738 95.8 71.3 -67.5 -20.5 3.2 26.4 39.1 54 60 A V S S- 0 0 6 666,-0.2 2,-0.4 665,-0.2 -2,-0.1 -0.877 75.1-177.0 -92.3 107.9 0.2 27.8 40.9 55 61 A K - 0 0 54 -2,-0.8 29,-0.2 -4,-0.1 180,-0.2 -0.946 23.0-123.3-112.2 130.0 1.0 27.1 44.6 56 62 A A >> - 0 0 0 178,-2.5 4,-2.0 -2,-0.4 3,-0.8 -0.301 31.1-106.0 -59.3 149.8 -1.3 27.9 47.6 57 63 A A H 3> S+ 0 0 7 25,-1.1 4,-2.7 1,-0.2 5,-0.2 0.862 120.1 53.5 -40.7 -50.8 -0.0 30.1 50.4 58 64 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 60,-0.4 0.834 107.7 50.8 -64.5 -30.3 0.4 27.1 52.8 59 65 A V H <> S+ 0 0 1 -3,-0.8 4,-2.3 175,-0.2 -2,-0.2 0.922 111.6 47.8 -64.9 -46.1 2.5 25.3 50.2 60 66 A L H X S+ 0 0 70 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.916 114.6 46.6 -59.6 -44.0 4.8 28.3 49.8 61 67 A W H X S+ 0 0 16 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.934 114.0 46.4 -65.6 -49.0 5.0 28.8 53.6 62 68 A T H X S+ 0 0 0 -4,-2.3 4,-3.0 56,-0.3 -1,-0.2 0.835 107.3 56.5 -67.6 -31.7 5.8 25.1 54.3 63 69 A Q H X S+ 0 0 62 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.950 110.8 46.6 -59.8 -46.9 8.4 24.9 51.6 64 70 A Q H >< S+ 0 0 99 -4,-1.6 3,-1.0 1,-0.2 4,-0.3 0.907 112.6 49.0 -55.4 -53.7 10.2 27.8 53.3 65 71 A V H >< S+ 0 0 1 -4,-2.5 3,-1.9 1,-0.2 5,-0.5 0.916 105.7 58.2 -53.9 -47.4 9.8 26.1 56.7 66 72 A L H >< S+ 0 0 22 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.672 83.5 79.4 -67.0 -13.7 11.2 22.8 55.4 67 73 A T T << S+ 0 0 124 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.722 90.5 58.6 -63.6 -18.4 14.5 24.4 54.3 68 74 A T T < S- 0 0 77 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.682 102.2-134.4 -79.2 -22.3 15.4 24.1 58.0 69 75 A G S < S+ 0 0 14 -3,-1.4 -24,-1.7 -4,-0.3 2,-0.4 0.652 71.8 107.1 74.7 15.9 15.0 20.3 58.1 70 76 A R B +J 44 0C 95 -5,-0.5 2,-0.3 -26,-0.2 -1,-0.2 -0.989 40.0 167.4-138.4 133.3 13.1 20.9 61.4 71 77 A L + 0 0 1 -28,-2.5 45,-0.2 -2,-0.4 171,-0.1 -0.996 18.5 178.0-143.2 139.6 9.5 20.8 62.5 72 78 A R S S+ 0 0 23 43,-2.6 -34,-3.1 -2,-0.3 2,-0.3 0.653 75.1 4.0-106.0 -24.6 7.6 20.8 65.8 73 79 A A E -Hi 37 116B 0 42,-1.7 44,-2.7 -36,-0.2 2,-0.4 -0.993 50.7-146.7-156.3 160.2 4.0 20.7 64.5 74 80 A V E -Hi 36 117B 0 -38,-2.4 -38,-2.4 -2,-0.3 2,-0.4 -0.996 14.0-164.5-130.5 126.9 1.8 20.6 61.5 75 81 A I E -Hi 35 118B 1 42,-2.6 44,-2.6 -2,-0.4 2,-0.4 -0.945 12.5-177.1-111.4 133.8 -1.5 22.4 61.4 76 82 A L E -Hi 34 119B 1 -42,-2.9 -42,-3.3 -2,-0.4 2,-0.4 -0.991 5.9-171.0-136.7 129.8 -4.1 21.4 58.7 77 83 A N E -Hi 33 120B 6 42,-1.9 44,-1.6 -2,-0.4 -44,-0.2 -0.952 7.1-162.6-119.6 148.8 -7.5 22.7 57.8 78 84 A S + 0 0 0 -46,-2.4 44,-0.2 79,-0.4 82,-0.1 -0.542 68.7 65.4-105.1-178.8 -10.2 21.6 55.5 79 85 A G S S+ 0 0 38 -2,-0.2 43,-0.2 42,-0.2 2,-0.1 0.658 107.6 37.3 77.3 14.2 -13.1 23.8 54.3 80 86 A G B -L 121 0E 7 41,-2.5 41,-0.6 -3,-0.2 42,-0.2 -0.464 55.8-153.7 167.2 127.9 -10.7 26.0 52.3 81 87 A A - 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G 0 678L 2 -99,-3.0 -99,-2.2 -2,-0.6 2,-0.3 -0.718 33.0-136.1-143.2-173.3 -14.2 22.1 23.2 778 389 D T E - G 0 677L 2 -153,-0.5 -101,-0.2 -154,-0.4 2,-0.1 -0.891 28.4 -90.6-143.8 173.9 -17.3 20.9 25.2 779 390 D D - 0 0 2 -103,-0.8 2,-0.7 -2,-0.3 -73,-0.2 -0.357 34.3-112.3 -84.7 168.5 -18.3 20.0 28.7 780 391 D L + 0 0 4 -75,-1.2 -71,-0.2 -78,-0.1 2,-0.2 -0.897 49.5 174.8-106.6 104.3 -18.2 16.6 30.4 781 392 D S > - 0 0 0 -2,-0.7 4,-1.9 -108,-0.1 5,-0.1 -0.528 49.2-109.1-107.7 165.6 -21.9 15.7 30.9 782 393 D H H > S+ 0 0 48 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.902 122.2 59.1 -58.2 -37.9 -23.9 12.7 32.2 783 394 D A H > S+ 0 0 46 -110,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.873 103.1 50.0 -59.4 -40.9 -24.9 12.3 28.5 784 395 D Y H > S+ 0 0 7 -111,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.953 113.6 46.6 -57.1 -49.0 -21.2 12.0 27.5 785 396 D V H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 5,-0.2 0.905 113.5 47.1 -63.9 -45.0 -20.7 9.3 30.2 786 397 D E H >X S+ 0 0 93 -4,-3.2 4,-2.6 1,-0.2 3,-0.6 0.912 110.6 51.5 -65.6 -43.9 -23.8 7.4 29.3 787 398 D E H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 116.5 41.5 -59.2 -32.7 -23.1 7.3 25.6 788 399 D N H 3< S+ 0 0 12 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.503 123.1 35.1-100.2 -5.2 -19.6 6.0 26.3 789 400 D S H << 0 0 14 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.2 0.600 360.0 360.0-116.1 -26.8 -20.3 3.5 29.0 790 401 D A < 0 0 105 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.920 360.0 360.0 -99.2 360.0 -23.8 2.0 28.0