==== 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 27-OCT-04 1WRV . COMPND 2 MOLECULE: BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.GOTO,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI . 897 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 177 19.7 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 . 14 1.6 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 . 62 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 23.2 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 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 2 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 PARALLEL BRIDGES PER LADDER . 3 7 14 7 5 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 2 0 0 0 5 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 0 226 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.5 28.9 83.6 -7.2 2 3 A I - 0 0 95 1,-0.1 2,-1.4 3,-0.0 3,-0.3 -0.635 360.0-148.5 -81.6 126.4 26.4 83.3 -4.3 3 4 A K + 0 0 167 -2,-0.4 121,-0.5 1,-0.2 -1,-0.1 -0.550 46.7 138.9 -92.6 70.3 23.1 81.7 -5.2 4 5 A A - 0 0 3 -2,-1.4 2,-0.4 1,-0.2 118,-0.3 0.866 30.9-177.0 -81.9 -40.0 20.9 83.6 -2.8 5 6 A G + 0 0 29 -3,-0.3 11,-0.6 116,-0.1 2,-0.4 -0.623 57.7 26.0 80.3-131.4 17.9 84.3 -5.0 6 7 A L E S-A 15 0A 60 -2,-0.4 2,-0.4 9,-0.2 116,-0.2 -0.556 74.6-166.0 -72.7 125.3 15.2 86.4 -3.4 7 8 A I E -A 14 0A 13 7,-2.9 7,-2.3 -2,-0.4 2,-0.6 -0.937 21.3-125.4-117.8 135.7 16.6 88.7 -0.7 8 9 A W E -AB 13 120A 12 112,-2.4 112,-2.2 -2,-0.4 2,-0.6 -0.695 29.9-171.3 -79.7 117.1 14.6 90.6 1.9 9 10 A M E > -AB 12 119A 35 3,-3.3 3,-1.4 -2,-0.6 110,-0.2 -0.914 60.6 -45.9-117.7 106.4 15.5 94.3 1.6 10 11 A N T 3 S- 0 0 60 108,-3.0 109,-0.1 -2,-0.6 -1,-0.1 0.834 130.0 -20.7 39.3 51.3 14.3 96.7 4.3 11 12 A G T 3 S+ 0 0 44 107,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.133 127.1 58.1 114.7 -22.9 10.7 95.3 4.2 12 13 A A E < S-A 9 0A 56 -3,-1.4 -3,-3.3 -5,-0.1 2,-0.3 -0.988 75.2-110.6-143.9 152.4 10.3 93.6 0.9 13 14 A F E +A 8 0A 40 -2,-0.3 -5,-0.2 -5,-0.3 -7,-0.1 -0.581 36.7 173.0 -82.2 141.8 11.7 90.8 -1.2 14 15 A V E -A 7 0A 32 -7,-2.3 -7,-2.9 -2,-0.3 5,-0.1 -0.962 40.0 -86.0-142.9 156.1 13.7 91.6 -4.3 15 16 A P E >> -A 6 0A 47 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.327 43.7-111.3 -62.8 149.0 15.7 89.6 -6.8 16 17 A Q G >4 S+ 0 0 74 -11,-0.6 3,-2.0 1,-0.3 -10,-0.1 0.887 118.2 62.1 -45.4 -47.2 19.4 89.2 -5.8 17 18 A E G 34 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.0 -11,-0.0 0.792 105.5 46.3 -49.9 -34.9 20.4 91.4 -8.7 18 19 A E G <4 S+ 0 0 119 -3,-1.9 2,-1.9 1,-0.1 -1,-0.3 0.505 84.8 98.6 -89.3 -7.5 18.4 94.3 -7.1 19 20 A A << + 0 0 26 -3,-2.0 2,-0.3 -4,-0.7 -1,-0.1 -0.533 57.2 128.1 -83.7 75.2 19.8 93.8 -3.6 20 21 A K - 0 0 173 -2,-1.9 2,-0.3 0, 0.0 -2,-0.0 -0.874 40.1-156.9-128.5 161.6 22.5 96.5 -3.8 21 22 A T - 0 0 60 -2,-0.3 4,-0.1 4,-0.0 -2,-0.0 -0.948 36.5 -79.9-137.5 156.0 23.5 99.4 -1.6 22 23 A S > - 0 0 54 -2,-0.3 3,-1.8 1,-0.2 6,-0.2 -0.220 29.0-133.9 -55.7 139.5 25.4 102.7 -2.2 23 24 A V T 3 S+ 0 0 106 1,-0.3 -1,-0.2 5,-0.0 0, 0.0 0.497 107.4 67.2 -72.6 -0.8 29.1 102.4 -2.2 24 25 A L T 3 S+ 0 0 95 4,-0.0 -1,-0.3 5,-0.0 2,-0.2 0.239 72.0 134.9 -99.6 10.5 29.0 105.5 0.1 25 26 A S X> - 0 0 0 -3,-1.8 3,-1.5 1,-0.1 4,-1.0 -0.432 62.1-131.5 -63.9 129.1 27.4 103.3 2.8 26 27 A H H >> S+ 0 0 0 76,-2.8 4,-2.8 1,-0.3 3,-0.9 0.870 105.6 56.5 -46.9 -44.7 29.0 104.0 6.1 27 28 A A H 3> S+ 0 0 14 74,-2.1 4,-1.3 1,-0.2 -1,-0.3 0.749 99.9 56.5 -64.6 -26.1 29.5 100.3 6.7 28 29 A L H <4 S+ 0 0 124 -3,-1.5 -1,-0.2 73,-0.3 -2,-0.2 0.736 118.6 34.7 -77.4 -21.0 31.4 99.7 3.5 29 30 A H H << S+ 0 0 92 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.1 0.768 133.0 22.8 -99.7 -34.0 33.9 102.3 4.7 30 31 A Y H < S- 0 0 98 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.267 96.7-113.8-123.6 12.6 34.0 101.8 8.5 31 32 A G < + 0 0 20 -4,-1.3 123,-2.2 -5,-0.2 2,-1.9 0.642 59.8 152.6 65.6 17.9 32.8 98.2 9.2 32 33 A T + 0 0 15 -6,-0.3 69,-1.8 121,-0.2 2,-0.3 -0.421 32.4 103.3 -82.6 65.8 29.7 99.5 10.9 33 34 A S E -C 100 0A 19 -2,-1.9 120,-2.7 67,-0.2 2,-0.3 -0.894 52.8-149.5-137.3 164.9 27.4 96.6 10.3 34 35 A V E +CD 99 152A 0 65,-2.7 65,-2.8 -2,-0.3 2,-0.3 -0.987 20.4 174.4-136.1 145.7 26.1 93.7 12.4 35 36 A F E -C 98 0A 23 116,-2.0 2,-0.3 -2,-0.3 63,-0.2 -0.900 17.2-146.7-145.2 173.5 25.2 90.2 11.2 36 37 A E - 0 0 1 61,-1.6 2,-0.5 -2,-0.3 20,-0.0 -0.923 10.6-141.5-139.2 162.7 24.1 86.8 12.2 37 38 A G + 0 0 3 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.980 30.7 168.5-128.4 113.9 24.6 83.2 11.0 38 39 A I E -E 95 0A 1 57,-2.5 57,-4.1 -2,-0.5 2,-0.4 -0.971 16.6-152.0-129.7 143.4 21.5 81.1 11.3 39 40 A R E -E 94 0A 13 -2,-0.4 11,-2.7 11,-0.3 2,-0.4 -0.892 7.2-159.0-121.7 149.5 20.8 77.6 9.8 40 41 A A E -EF 93 49A 1 53,-2.3 53,-1.7 -2,-0.4 2,-0.3 -0.966 15.9-165.1-119.0 136.8 17.7 75.8 8.8 41 42 A Y E - F 0 48A 15 7,-2.6 7,-2.5 -2,-0.4 2,-0.2 -0.908 25.0-107.8-121.6 151.6 17.8 72.0 8.6 42 43 A E + 0 0 88 -2,-0.3 2,-0.3 5,-0.2 49,-0.1 -0.575 42.1 174.9 -79.0 140.4 15.5 69.6 6.9 43 44 A T > - 0 0 16 3,-0.4 3,-1.8 -2,-0.2 242,-0.1 -0.826 50.5 -93.8-134.3 174.9 13.3 67.5 9.2 44 45 A A T 3 S+ 0 0 112 240,-0.5 241,-0.1 1,-0.3 -2,-0.0 0.775 129.3 47.4 -62.0 -24.7 10.5 65.0 8.8 45 46 A K T 3 S- 0 0 137 1,-0.4 -1,-0.3 240,-0.0 253,-0.3 -0.033 125.1 -92.4-106.7 29.0 8.2 68.0 9.3 46 47 A G S < S- 0 0 10 -3,-1.8 -3,-0.4 251,-0.1 -1,-0.4 -0.267 74.7 -14.0 91.6-180.0 9.9 70.3 6.8 47 48 A P - 0 0 8 0, 0.0 250,-2.4 0, 0.0 251,-0.5 -0.255 59.6-165.4 -59.1 139.3 12.7 73.0 7.3 48 49 A A E -FG 41 296A 0 -7,-2.5 -7,-2.6 43,-0.3 2,-0.4 -0.997 13.1-140.7-131.9 128.1 13.4 74.0 10.9 49 50 A I E -FG 40 295A 0 246,-2.9 246,-1.9 -2,-0.4 2,-0.5 -0.748 25.7-124.4 -87.7 132.3 15.5 77.0 11.8 50 51 A F E S- G 0 294A 6 -11,-2.7 -11,-0.3 -2,-0.4 244,-0.2 -0.693 75.5 -24.1 -87.4 122.4 17.7 76.4 14.8 51 52 A R S > S+ 0 0 18 242,-3.4 4,-2.0 -2,-0.5 -1,-0.2 0.874 73.9 169.2 45.2 53.2 17.4 78.7 17.8 52 53 A L H > S+ 0 0 6 -3,-0.5 4,-2.5 241,-0.4 5,-0.2 0.892 71.5 54.8 -56.2 -47.7 15.9 81.6 15.8 53 54 A K H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 108.2 47.5 -54.8 -51.4 15.0 83.5 19.0 54 55 A E H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 112.8 49.3 -60.4 -42.3 18.5 83.4 20.4 55 56 A H H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.906 111.8 47.0 -66.0 -41.9 20.1 84.5 17.1 56 57 A V H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.906 109.8 54.3 -66.7 -39.1 17.7 87.4 16.6 57 58 A K H X S+ 0 0 57 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.912 110.8 46.1 -58.9 -43.2 18.2 88.6 20.2 58 59 A R H X S+ 0 0 19 -4,-1.9 4,-2.8 2,-0.2 93,-0.3 0.831 106.7 59.2 -69.5 -31.1 21.9 88.7 19.6 59 60 A F H X S+ 0 0 4 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.949 111.8 39.8 -61.3 -47.9 21.3 90.5 16.3 60 61 A Y H X S+ 0 0 45 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.839 113.5 54.8 -70.9 -32.7 19.6 93.3 18.2 61 62 A N H X S+ 0 0 20 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.897 106.8 51.4 -67.1 -38.9 22.2 93.1 21.0 62 63 A S H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 3,-0.3 0.918 108.4 51.5 -63.3 -42.0 25.0 93.6 18.5 63 64 A A H ><>S+ 0 0 2 -4,-1.8 5,-3.1 1,-0.2 3,-0.6 0.905 104.8 56.9 -61.3 -40.6 23.2 96.6 17.1 64 65 A K H ><5S+ 0 0 45 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.855 98.9 59.9 -59.8 -36.4 22.9 98.1 20.6 65 66 A V H 3<5S+ 0 0 10 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.885 111.8 39.6 -59.1 -37.6 26.7 97.9 21.0 66 67 A L T <<5S- 0 0 39 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.394 112.8-119.4 -90.5 2.6 27.0 100.2 18.0 67 68 A R T < 5 + 0 0 93 -3,-1.2 2,-0.4 -4,-0.4 -3,-0.2 0.847 61.5 160.0 58.7 33.1 24.1 102.3 19.1 68 69 A M < - 0 0 7 -5,-3.1 2,-0.6 -6,-0.2 -1,-0.2 -0.709 35.8-139.4 -88.8 135.0 22.6 101.2 15.8 69 70 A E - 0 0 117 -2,-0.4 47,-2.9 -3,-0.1 -9,-0.0 -0.866 6.3-155.4-100.7 122.8 18.9 101.4 15.4 70 71 A I - 0 0 19 -2,-0.6 2,-1.4 45,-0.2 47,-0.1 -0.874 10.2-148.5 -98.2 109.6 17.1 98.6 13.6 71 72 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.046 71.7 73.7 -70.3 34.9 13.9 100.0 12.2 72 73 A F S S- 0 0 38 -2,-1.4 -2,-0.1 -61,-0.0 -62,-0.0 -0.985 83.8-111.4-145.9 151.0 12.0 96.7 12.5 73 74 A A >> - 0 0 32 -2,-0.3 4,-1.8 1,-0.1 3,-1.3 -0.583 32.9-115.9 -81.5 146.2 10.5 94.8 15.4 74 75 A P H 3> S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.859 118.1 58.4 -48.9 -36.1 12.3 91.5 16.2 75 76 A E H 3> S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.851 104.0 50.0 -62.9 -36.1 9.1 89.7 15.3 76 77 A E H <> S+ 0 0 104 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.886 111.3 48.1 -71.4 -37.8 9.2 91.3 11.8 77 78 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.874 109.3 54.0 -68.5 -36.6 12.8 90.1 11.3 78 79 A E H X S+ 0 0 53 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.884 109.1 48.2 -64.8 -37.3 11.8 86.7 12.5 79 80 A E H X S+ 0 0 62 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.900 110.4 51.7 -69.4 -40.7 9.0 86.6 9.9 80 81 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.863 107.7 52.5 -63.7 -36.7 11.4 87.7 7.1 81 82 A I H X S+ 0 0 1 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.880 111.4 45.8 -68.0 -37.5 13.9 85.0 8.1 82 83 A K H X S+ 0 0 52 -4,-1.6 4,-2.2 1,-0.2 3,-0.5 0.924 113.8 50.0 -70.0 -41.6 11.1 82.3 7.8 83 84 A E H X S+ 0 0 39 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.848 101.6 60.6 -65.3 -36.0 10.0 83.8 4.5 84 85 A V H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.853 109.7 44.5 -62.3 -30.2 13.5 83.9 3.0 85 86 A V H <>S+ 0 0 0 -4,-0.9 5,-2.2 -3,-0.5 3,-0.5 0.953 118.4 42.2 -75.2 -51.7 13.5 80.1 3.5 86 87 A R H ><5S+ 0 0 99 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.957 110.8 53.5 -58.4 -58.5 10.0 79.6 2.1 87 88 A R H 3<5S+ 0 0 123 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.2 0.691 113.8 43.1 -53.7 -23.6 10.2 82.0 -0.9 88 89 A N T 3<5S- 0 0 37 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.422 108.9-120.0-104.6 1.0 13.3 80.4 -2.2 89 90 A G T < 5 + 0 0 59 -3,-2.0 -3,-0.2 -4,-0.5 2,-0.2 0.820 56.3 161.3 65.6 31.6 12.2 76.8 -1.7 90 91 A Y < + 0 0 19 -5,-2.2 -1,-0.2 -6,-0.2 3,-0.1 -0.497 23.8 167.8 -83.8 153.3 15.1 76.1 0.7 91 92 A R S S+ 0 0 65 1,-0.3 2,-0.7 -2,-0.2 -43,-0.3 0.537 78.2 29.7-125.2 -59.7 15.2 73.2 3.1 92 93 A S S S+ 0 0 35 -51,-0.1 33,-2.1 33,-0.1 -1,-0.3 -0.917 89.9 140.2-106.2 111.4 18.8 73.0 4.3 93 94 A C E -EH 40 124A 1 -53,-1.7 -53,-2.3 -2,-0.7 2,-0.5 -0.962 52.2-120.2-150.5 165.4 20.3 76.5 4.2 94 95 A Y E -EH 39 123A 27 29,-2.7 29,-1.9 -2,-0.3 2,-0.5 -0.929 29.4-154.3-107.6 130.4 22.5 79.2 5.8 95 96 A I E -EH 38 122A 0 -57,-4.1 -57,-2.5 -2,-0.5 27,-0.2 -0.927 8.0-168.9-112.1 127.1 20.7 82.4 6.6 96 97 A R E - 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