==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAR-07 2EJ3 . COMPND 2 MOLECULE: BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.GOTO . 895 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 20.1 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 . 5 0.6 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 . 56 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 0 6 1 0 0 0 0 0 2 4 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 6 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 0 0 PARALLEL BRIDGES PER LADDER . 3 6 14 7 6 0 1 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 0 0 0 0 6 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 Q 0 0 225 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.5 29.1 84.3 -7.2 2 3 A I - 0 0 96 3,-0.0 2,-1.3 1,-0.0 3,-0.3 -0.864 360.0-145.0-103.4 130.2 26.6 83.5 -4.4 3 4 A K + 0 0 78 -2,-0.5 121,-0.5 1,-0.2 -1,-0.0 -0.651 47.5 138.1 -93.7 79.8 23.2 81.9 -5.3 4 5 A A - 0 0 3 -2,-1.3 2,-0.4 1,-0.2 118,-0.2 0.816 34.1-170.8 -91.4 -36.3 21.0 83.6 -2.8 5 6 A G + 0 0 32 -3,-0.3 11,-0.5 116,-0.1 2,-0.3 -0.659 59.1 25.4 82.7-130.4 17.9 84.3 -5.0 6 7 A L S S- 0 0 61 -2,-0.4 2,-0.4 9,-0.2 116,-0.2 -0.546 73.4-164.9 -73.8 129.4 15.3 86.5 -3.4 7 8 A I E -A 14 0A 14 7,-2.6 7,-2.0 -2,-0.3 2,-0.7 -0.937 21.3-123.8-118.3 138.6 16.7 88.8 -0.8 8 9 A W E -AB 13 120A 15 112,-2.5 112,-1.7 -2,-0.4 2,-0.7 -0.724 29.8-170.7 -82.8 113.5 14.7 90.7 1.8 9 10 A M E > -AB 12 119A 40 3,-3.3 3,-1.4 -2,-0.7 110,-0.2 -0.885 60.8 -46.6-112.2 103.3 15.6 94.4 1.4 10 11 A N T 3 S- 0 0 55 108,-2.8 -1,-0.1 -2,-0.7 109,-0.1 0.841 129.2 -20.4 44.3 49.4 14.3 96.7 4.2 11 12 A G T 3 S+ 0 0 44 107,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.133 128.3 56.5 114.9 -23.6 10.7 95.4 4.2 12 13 A A E < S-A 9 0A 57 -3,-1.4 -3,-3.3 -5,-0.1 2,-0.2 -0.988 74.8-112.7-144.7 153.0 10.3 93.7 0.8 13 14 A F E +A 8 0A 38 -2,-0.3 -5,-0.2 -5,-0.3 -7,-0.1 -0.559 34.5 172.9 -84.3 147.6 11.9 90.9 -1.3 14 15 A V E -A 7 0A 32 -7,-2.0 -7,-2.6 -2,-0.2 5,-0.1 -0.961 41.9 -80.8-147.6 159.4 13.7 91.6 -4.5 15 16 A P >> - 0 0 61 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.311 46.7-112.1 -60.6 149.4 15.8 89.7 -7.0 16 17 A Q G >4 S+ 0 0 56 -11,-0.5 3,-1.7 1,-0.3 -10,-0.1 0.876 116.8 62.5 -50.4 -42.2 19.4 89.3 -5.8 17 18 A E G 34 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.0 -11,-0.0 0.708 104.7 48.0 -58.5 -20.9 20.6 91.5 -8.7 18 19 A E G <4 S+ 0 0 129 -3,-2.2 2,-2.0 1,-0.1 -1,-0.3 0.527 83.6 98.2 -97.3 -8.5 18.6 94.3 -7.2 19 20 A A << + 0 0 26 -3,-1.7 2,-0.3 -4,-0.6 -1,-0.1 -0.536 59.5 128.4 -81.0 75.8 19.9 93.8 -3.6 20 21 A K - 0 0 161 -2,-2.0 2,-0.3 -11,-0.0 -3,-0.0 -0.873 40.2-157.7-130.6 162.8 22.5 96.5 -3.8 21 22 A T - 0 0 63 -2,-0.3 4,-0.1 4,-0.0 -2,-0.0 -0.977 35.5 -79.7-141.7 153.5 23.6 99.6 -1.8 22 23 A S > - 0 0 55 -2,-0.3 3,-1.8 1,-0.2 6,-0.2 -0.161 29.1-134.8 -51.1 137.6 25.5 102.8 -2.3 23 24 A V T 3 S+ 0 0 104 1,-0.3 -1,-0.2 5,-0.0 0, 0.0 0.512 107.2 66.7 -72.7 -3.0 29.3 102.6 -2.4 24 25 A L T 3 S+ 0 0 96 4,-0.0 -1,-0.3 79,-0.0 2,-0.2 0.244 72.5 134.7 -98.1 10.1 29.1 105.6 -0.1 25 26 A S X> - 0 0 1 -3,-1.8 3,-1.2 1,-0.1 4,-0.9 -0.426 61.7-131.6 -63.2 130.7 27.5 103.5 2.6 26 27 A H H >> S+ 0 0 0 76,-2.6 4,-3.1 1,-0.3 3,-1.1 0.884 105.9 54.0 -48.5 -47.5 29.1 104.2 6.0 27 28 A A H 3> S+ 0 0 14 74,-2.0 4,-1.4 5,-0.3 -1,-0.3 0.760 101.1 58.6 -63.4 -27.3 29.6 100.4 6.7 28 29 A L H <4 S+ 0 0 118 -3,-1.2 -1,-0.3 73,-0.3 -2,-0.2 0.729 118.4 32.4 -74.2 -21.2 31.4 99.9 3.4 29 30 A H H << S+ 0 0 90 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.773 133.5 24.7-102.4 -36.0 34.0 102.4 4.6 30 31 A Y H < S- 0 0 98 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.303 97.7-113.5-117.9 9.5 34.1 102.0 8.3 31 32 A G < + 0 0 21 -4,-1.4 123,-2.0 -5,-0.3 2,-1.9 0.683 60.1 153.6 67.7 19.0 32.9 98.4 9.0 32 33 A T + 0 0 15 -6,-0.3 69,-1.9 121,-0.2 2,-0.3 -0.423 31.9 102.6 -83.5 67.2 29.8 99.7 10.8 33 34 A S E -C 100 0A 18 -2,-1.9 120,-2.9 67,-0.2 2,-0.3 -0.916 52.2-150.8-139.6 162.8 27.5 96.7 10.2 34 35 A V E +CD 99 152A 0 65,-2.6 65,-2.6 -2,-0.3 2,-0.3 -0.967 19.8 174.0-134.7 150.0 26.2 93.9 12.3 35 36 A F E -C 98 0A 22 116,-1.8 2,-0.3 -2,-0.3 63,-0.2 -0.923 17.3-144.5-149.7 173.4 25.2 90.4 11.2 36 37 A E - 0 0 1 61,-1.6 2,-0.5 -2,-0.3 20,-0.0 -0.918 10.6-141.0-139.1 164.5 24.0 86.9 12.2 37 38 A G + 0 0 2 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.977 30.4 169.2-129.8 113.2 24.5 83.4 11.0 38 39 A I E -E 95 0A 1 57,-2.4 57,-4.0 -2,-0.5 2,-0.4 -0.974 16.5-150.6-128.8 141.8 21.4 81.2 11.3 39 40 A R E -E 94 0A 9 11,-0.4 11,-3.0 -2,-0.4 2,-0.4 -0.877 8.7-161.1-119.8 148.9 20.7 77.8 10.0 40 41 A A E -EF 93 49A 1 53,-2.1 53,-1.7 -2,-0.4 2,-0.3 -0.977 16.5-164.4-118.7 132.6 17.6 75.9 8.8 41 42 A Y E - F 0 48A 15 7,-2.8 7,-2.6 -2,-0.4 2,-0.3 -0.885 24.4-109.3-117.4 151.9 17.9 72.1 8.7 42 43 A E E + F 0 47A 88 -2,-0.3 2,-0.3 5,-0.2 50,-0.1 -0.632 41.3 176.5 -81.2 135.4 15.5 69.7 6.9 43 44 A T E > - F 0 46A 14 3,-0.7 3,-2.2 -2,-0.3 242,-0.1 -0.843 49.5 -96.5-130.9 169.2 13.4 67.6 9.2 44 45 A A T 3 S+ 0 0 118 240,-0.5 241,-0.1 1,-0.3 -2,-0.0 0.715 128.3 48.8 -59.3 -18.5 10.6 65.0 8.6 45 46 A K T 3 S- 0 0 68 1,-0.4 -1,-0.3 3,-0.0 253,-0.3 -0.028 125.8 -88.9-111.2 29.2 8.3 68.0 9.2 46 47 A G E < S-F 43 0A 18 -3,-2.2 -3,-0.7 251,-0.1 -1,-0.4 -0.250 73.7 -21.0 93.1 176.6 9.9 70.4 6.8 47 48 A P E -F 42 0A 7 0, 0.0 250,-2.3 0, 0.0 251,-0.5 -0.276 58.8-165.1 -61.2 141.7 12.7 73.0 7.3 48 49 A A E -FG 41 296A 1 -7,-2.6 -7,-2.8 43,-0.3 2,-0.5 -0.995 14.4-137.7-135.1 128.8 13.4 74.2 10.8 49 50 A I E > -FG 40 295A 0 246,-2.5 246,-1.4 -2,-0.4 3,-0.6 -0.725 25.9-124.7 -85.9 127.0 15.4 77.2 11.9 50 51 A F E 3 S- G 0 294A 5 -11,-3.0 -11,-0.4 -2,-0.5 244,-0.2 -0.624 77.3 -26.1 -80.9 118.6 17.8 76.5 14.8 51 52 A R T 3> S+ 0 0 27 242,-3.9 4,-1.7 -2,-0.6 -1,-0.2 0.900 74.9 172.8 45.2 57.3 17.3 78.9 17.8 52 53 A L H <> S+ 0 0 4 -3,-0.6 4,-2.5 241,-0.3 5,-0.2 0.883 72.0 51.9 -58.8 -45.1 15.9 81.8 15.7 53 54 A K H > S+ 0 0 138 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.908 107.5 51.0 -63.3 -43.2 15.0 83.9 18.7 54 55 A E H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 112.6 48.3 -62.0 -38.5 18.4 83.7 20.3 55 56 A H H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.918 112.6 46.5 -67.5 -44.5 20.0 84.7 17.0 56 57 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.910 110.2 54.2 -64.9 -40.6 17.6 87.7 16.5 57 58 A K H X S+ 0 0 76 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.909 110.2 46.4 -59.3 -42.6 18.1 88.8 20.1 58 59 A R H X S+ 0 0 21 -4,-1.8 4,-2.8 2,-0.2 93,-0.2 0.826 106.5 59.9 -68.5 -31.4 21.9 88.8 19.5 59 60 A F H X S+ 0 0 1 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.937 110.6 40.8 -60.7 -47.3 21.4 90.7 16.2 60 61 A Y H X S+ 0 0 51 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.867 113.0 54.4 -70.0 -36.5 19.7 93.5 18.1 61 62 A N H X S+ 0 0 21 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.905 107.0 51.1 -63.5 -40.3 22.3 93.3 21.0 62 63 A S H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.907 108.9 52.0 -62.3 -40.7 25.1 93.7 18.4 63 64 A A H <>S+ 0 0 2 -4,-1.6 5,-3.2 1,-0.2 3,-0.4 0.902 104.3 56.3 -62.3 -41.7 23.3 96.8 17.0 64 65 A K H ><5S+ 0 0 45 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.872 99.8 60.0 -59.2 -37.5 23.0 98.3 20.5 65 66 A V H 3<5S+ 0 0 9 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.909 111.7 38.7 -57.4 -42.1 26.8 98.1 20.8 66 67 A L T 3<5S- 0 0 41 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.374 114.0-119.7 -87.5 4.5 27.2 100.3 17.8 67 68 A R T < 5 + 0 0 96 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.855 60.5 161.0 57.3 34.2 24.2 102.4 19.0 68 69 A M < - 0 0 8 -5,-3.2 2,-0.6 -6,-0.2 -1,-0.2 -0.713 35.7-138.6 -89.6 134.4 22.7 101.4 15.7 69 70 A E - 0 0 120 -2,-0.4 47,-3.1 -3,-0.1 -9,-0.0 -0.845 6.7-154.8 -98.3 120.9 18.9 101.6 15.3 70 71 A I - 0 0 19 -2,-0.6 2,-2.0 45,-0.2 47,-0.1 -0.843 10.5-147.6 -95.3 108.3 17.2 98.7 13.5 71 72 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.118 71.9 74.5 -70.4 42.2 13.9 100.2 12.0 72 73 A F S S- 0 0 31 -2,-2.0 -2,-0.1 -61,-0.0 -62,-0.0 -0.985 81.9-114.4-152.5 145.1 12.0 96.9 12.4 73 74 A A >> - 0 0 34 -2,-0.3 4,-1.7 1,-0.1 3,-1.1 -0.517 34.2-112.6 -78.9 149.7 10.5 95.0 15.3 74 75 A P H 3> S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.853 117.5 58.8 -49.0 -39.0 12.1 91.6 16.2 75 76 A E H 3> S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.865 104.7 49.4 -60.2 -38.8 8.9 89.9 15.1 76 77 A E H <> S+ 0 0 99 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.896 111.4 48.4 -68.8 -41.0 9.1 91.4 11.6 77 78 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.906 110.1 52.1 -65.7 -41.0 12.8 90.3 11.2 78 79 A E H X S+ 0 0 23 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.889 110.9 48.0 -62.3 -38.7 11.9 86.8 12.4 79 80 A E H X S+ 0 0 68 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.899 109.7 52.3 -68.1 -41.4 9.1 86.7 9.8 80 81 A A H X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.869 109.7 50.5 -62.4 -35.9 11.5 88.0 7.1 81 82 A I H X S+ 0 0 1 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.873 111.5 46.4 -70.5 -38.2 13.9 85.2 8.1 82 83 A K H >X S+ 0 0 54 -4,-1.8 4,-1.8 1,-0.2 3,-0.6 0.915 113.9 49.8 -69.0 -41.4 11.2 82.5 7.8 83 84 A E H 3X S+ 0 0 38 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.781 100.2 62.4 -68.2 -28.2 10.0 83.9 4.5 84 85 A V H 3X S+ 0 0 0 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.808 107.7 46.0 -68.2 -26.0 13.5 84.0 3.0 85 86 A V H <<>S+ 0 0 0 -4,-0.8 5,-2.4 -3,-0.6 4,-0.3 0.933 117.8 41.8 -77.7 -50.3 13.5 80.2 3.4 86 87 A R H ><5S+ 0 0 94 -4,-1.8 3,-3.5 3,-0.2 -2,-0.2 0.988 111.1 51.5 -59.4 -67.9 10.1 79.7 2.0 87 88 A R H 3<5S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.2 0.737 116.7 42.7 -44.3 -30.9 10.1 82.1 -1.0 88 89 A N T 3<5S- 0 0 38 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.453 108.5-126.4 -97.0 -2.3 13.4 80.5 -2.1 89 90 A G T < 5 + 0 0 64 -3,-3.5 -3,-0.2 -4,-0.3 2,-0.1 0.827 47.8 168.2 61.8 34.0 12.2 77.0 -1.4 90 91 A Y < + 0 0 29 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.471 25.6 178.5 -79.1 150.3 15.2 76.1 0.7 91 92 A R S S+ 0 0 25 1,-0.4 2,-0.4 -2,-0.1 -43,-0.3 0.637 81.6 17.3-116.4 -40.1 15.2 73.0 2.9 92 93 A S S S+ 0 0 35 -51,-0.2 33,-1.8 33,-0.1 -1,-0.4 -0.985 86.9 142.2-136.2 121.4 18.7 73.3 4.4 93 94 A C E -EH 40 124A 1 -53,-1.7 -53,-2.1 -2,-0.4 2,-0.5 -0.994 49.6-114.3-159.2 162.7 20.4 76.7 4.2 94 95 A Y E -EH 39 123A 22 29,-2.4 29,-1.8 -2,-0.3 2,-0.5 -0.884 32.3-152.4-100.8 128.7 22.5 79.4 5.9 95 96 A I E -EH 38 122A 0 -57,-4.0 -57,-2.4 -2,-0.5 27,-0.3 -0.902 8.2-167.1-107.5 129.8 20.6 82.5 6.7 96 97 A R E - 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