==== 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 2EIY . 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) . 35634.0 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 . 50 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 19.6 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 . 13 1.5 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 . 4 0.4 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 . 60 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 22.9 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 3 3 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 8 15 4 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 0 177 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.2 28.5 84.1 -7.1 2 3 A I - 0 0 95 1,-0.1 2,-1.4 3,-0.0 3,-0.3 -0.576 360.0-140.5 -77.3 131.4 26.2 83.4 -4.2 3 4 A K + 0 0 161 -2,-0.3 121,-0.5 1,-0.2 -1,-0.1 -0.633 51.1 138.2 -92.6 78.0 22.9 81.8 -5.0 4 5 A A - 0 0 3 -2,-1.4 2,-0.4 1,-0.2 118,-0.3 0.808 30.9-176.6 -90.7 -35.9 20.7 83.7 -2.6 5 6 A G + 0 0 31 -3,-0.3 11,-0.5 116,-0.1 2,-0.4 -0.578 58.6 26.9 76.5-129.4 17.7 84.4 -4.8 6 7 A L S S- 0 0 61 -2,-0.4 2,-0.4 9,-0.2 116,-0.3 -0.559 73.7-167.1 -73.8 125.7 15.0 86.5 -3.2 7 8 A I E -A 14 0A 15 7,-2.7 7,-2.4 -2,-0.4 2,-0.6 -0.939 22.2-124.7-117.9 135.7 16.4 88.8 -0.5 8 9 A W E -AB 13 120A 16 112,-2.4 112,-1.9 -2,-0.4 2,-0.6 -0.692 30.2-171.4 -79.3 118.2 14.4 90.7 2.1 9 10 A M E > -AB 12 119A 38 3,-3.3 3,-1.4 -2,-0.6 110,-0.2 -0.925 61.1 -44.2-118.4 107.3 15.4 94.4 1.8 10 11 A N T 3 S- 0 0 52 108,-3.0 -1,-0.1 -2,-0.6 109,-0.1 0.856 130.3 -22.1 39.3 55.4 14.1 96.8 4.4 11 12 A G T 3 S+ 0 0 45 107,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.218 127.6 61.3 106.6 -16.8 10.6 95.4 4.5 12 13 A A E < S-A 9 0A 55 -3,-1.4 -3,-3.3 -5,-0.1 2,-0.2 -1.000 74.7-113.9-148.0 147.0 10.2 93.7 1.1 13 14 A F E +A 8 0A 40 -2,-0.3 -5,-0.2 -5,-0.3 -7,-0.1 -0.556 36.3 173.8 -79.3 140.6 11.7 90.8 -0.9 14 15 A V E -A 7 0A 32 -7,-2.4 -7,-2.7 -2,-0.2 5,-0.1 -0.960 40.1 -84.1-142.1 156.1 13.5 91.7 -4.1 15 16 A P >> - 0 0 50 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.287 44.7-111.3 -59.8 149.3 15.6 89.7 -6.7 16 17 A Q G >4 S+ 0 0 60 -11,-0.5 3,-1.5 1,-0.3 -10,-0.1 0.864 117.7 61.9 -48.7 -41.1 19.2 89.2 -5.7 17 18 A E G 34 S+ 0 0 150 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.765 104.7 47.2 -58.3 -28.1 20.2 91.5 -8.5 18 19 A E G <4 S+ 0 0 117 -3,-2.0 2,-1.8 1,-0.1 -1,-0.3 0.500 84.5 98.8 -93.2 -5.9 18.3 94.4 -6.9 19 20 A A << + 0 0 27 -3,-1.5 2,-0.3 -4,-0.6 -1,-0.1 -0.539 57.5 126.7 -83.8 75.5 19.7 93.9 -3.5 20 21 A K - 0 0 167 -2,-1.8 2,-0.3 0, 0.0 -3,-0.0 -0.893 40.8-157.1-131.1 161.1 22.4 96.6 -3.6 21 22 A T - 0 0 64 -2,-0.3 4,-0.1 4,-0.0 -2,-0.0 -0.945 36.7 -80.4-136.8 155.8 23.4 99.6 -1.5 22 23 A S > - 0 0 57 -2,-0.3 3,-1.7 1,-0.2 6,-0.2 -0.216 28.9-133.0 -55.8 140.7 25.3 102.8 -2.1 23 24 A V T 3 S+ 0 0 104 1,-0.3 -1,-0.2 5,-0.0 0, 0.0 0.518 107.6 67.2 -72.6 -2.6 29.1 102.5 -2.2 24 25 A L T 3 S+ 0 0 94 4,-0.0 -1,-0.3 5,-0.0 2,-0.2 0.224 72.1 133.6 -98.8 12.0 29.0 105.6 0.1 25 26 A S X> - 0 0 1 -3,-1.7 3,-1.5 1,-0.1 4,-0.9 -0.470 62.7-130.9 -66.7 130.4 27.4 103.5 2.8 26 27 A H H >> S+ 0 0 0 76,-2.6 4,-2.8 1,-0.3 3,-1.0 0.865 105.9 56.4 -47.7 -44.7 29.1 104.1 6.2 27 28 A A H 3> S+ 0 0 15 74,-2.2 4,-1.3 1,-0.3 -1,-0.3 0.761 100.1 57.3 -64.5 -26.1 29.4 100.4 6.8 28 29 A L H <4 S+ 0 0 122 -3,-1.5 -1,-0.3 73,-0.3 -2,-0.2 0.739 118.4 33.4 -76.5 -21.3 31.4 99.8 3.6 29 30 A H H << S+ 0 0 92 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.755 132.8 24.3-100.9 -32.7 34.0 102.4 4.7 30 31 A Y H < S- 0 0 102 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.259 97.0-113.3-123.8 12.2 34.0 101.9 8.5 31 32 A G < + 0 0 21 -4,-1.3 123,-2.1 -5,-0.2 2,-1.9 0.629 60.1 152.0 66.4 17.0 32.8 98.4 9.3 32 33 A T + 0 0 16 -6,-0.3 69,-1.8 121,-0.2 2,-0.3 -0.417 32.4 103.2 -82.7 65.6 29.7 99.7 11.0 33 34 A S E -C 100 0A 18 -2,-1.9 120,-2.7 67,-0.2 2,-0.3 -0.889 52.0-151.2-136.7 164.3 27.4 96.7 10.4 34 35 A V E +CD 99 152A 0 65,-2.6 65,-2.7 -2,-0.3 2,-0.3 -0.982 19.8 173.0-136.8 147.7 26.1 93.8 12.5 35 36 A F E -C 98 0A 23 116,-1.9 2,-0.3 -2,-0.3 63,-0.2 -0.906 18.0-143.6-147.4 174.4 25.1 90.4 11.3 36 37 A E - 0 0 1 61,-1.6 2,-0.5 -2,-0.3 20,-0.0 -0.919 10.4-140.7-138.4 163.9 24.0 86.9 12.4 37 38 A G + 0 0 3 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.979 31.1 168.4-128.5 114.2 24.6 83.3 11.2 38 39 A I E -E 95 0A 1 57,-2.4 57,-3.9 -2,-0.5 2,-0.4 -0.964 16.7-151.9-129.9 145.2 21.5 81.2 11.5 39 40 A R E -E 94 0A 8 -2,-0.4 11,-2.6 11,-0.3 2,-0.4 -0.907 6.9-159.8-123.4 149.4 20.7 77.7 10.1 40 41 A A E -EF 93 49A 1 53,-2.4 53,-1.4 -2,-0.4 2,-0.4 -0.958 14.7-164.5-118.8 138.4 17.7 75.9 9.0 41 42 A Y E - F 0 48A 16 7,-2.5 7,-2.5 -2,-0.4 2,-0.2 -0.948 24.5-110.5-124.2 147.5 17.8 72.1 8.8 42 43 A E + 0 0 75 -2,-0.4 2,-0.3 5,-0.2 49,-0.1 -0.555 41.9 175.6 -76.6 138.9 15.4 69.7 7.1 43 44 A T > - 0 0 17 3,-0.5 3,-1.8 -2,-0.2 242,-0.1 -0.800 50.2 -92.7-133.1 176.3 13.3 67.6 9.4 44 45 A A T 3 S+ 0 0 113 240,-0.5 241,-0.1 1,-0.3 -2,-0.0 0.728 129.6 47.4 -64.0 -20.3 10.4 65.1 9.0 45 46 A K T 3 S- 0 0 137 1,-0.4 253,-0.3 240,-0.0 -1,-0.3 -0.033 125.3 -92.7-110.3 29.0 8.1 68.1 9.5 46 47 A G S < S- 0 0 13 -3,-1.8 -3,-0.5 251,-0.1 -1,-0.4 -0.264 75.4 -13.6 90.4-179.9 9.9 70.4 7.1 47 48 A P - 0 0 8 0, 0.0 250,-2.3 0, 0.0 251,-0.5 -0.265 59.7-165.2 -58.7 137.1 12.6 73.1 7.6 48 49 A A E -FG 41 296A 0 -7,-2.5 -7,-2.5 43,-0.3 2,-0.4 -0.995 12.5-141.1-129.6 127.2 13.4 74.1 11.1 49 50 A I E > -FG 40 295A 0 246,-2.8 246,-1.8 -2,-0.4 2,-0.5 -0.731 25.1-123.7 -87.5 132.5 15.4 77.1 12.1 50 51 A F E 3 S- G 0 294A 7 -11,-2.6 -11,-0.3 -2,-0.4 244,-0.2 -0.682 75.1 -25.9 -87.3 122.5 17.7 76.6 15.1 51 52 A R T 3> S+ 0 0 26 242,-3.4 4,-1.8 -2,-0.5 -1,-0.2 0.871 75.4 171.1 43.3 54.0 17.3 78.8 18.1 52 53 A L H <> S+ 0 0 3 -3,-0.5 4,-2.6 241,-0.3 5,-0.2 0.893 70.6 51.3 -56.0 -49.7 15.9 81.7 16.1 53 54 A K H > S+ 0 0 138 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 108.5 51.5 -61.5 -37.8 14.9 83.9 19.0 54 55 A E H > S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 112.2 47.1 -66.2 -38.8 18.4 83.6 20.6 55 56 A H H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.905 112.9 47.7 -69.0 -41.0 20.0 84.7 17.3 56 57 A V H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.900 109.7 54.0 -67.4 -38.4 17.6 87.6 16.8 57 58 A K H X S+ 0 0 74 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.923 110.2 46.8 -60.3 -43.1 18.1 88.7 20.4 58 59 A R H X S+ 0 0 21 -4,-1.9 4,-2.9 2,-0.2 93,-0.2 0.853 106.7 58.9 -67.9 -33.3 21.9 88.8 19.8 59 60 A F H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.948 110.9 41.0 -59.6 -48.9 21.3 90.7 16.5 60 61 A Y H X S+ 0 0 47 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.847 113.3 54.8 -69.3 -31.8 19.6 93.5 18.4 61 62 A N H X S+ 0 0 20 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.905 106.9 50.6 -66.6 -41.1 22.2 93.3 21.2 62 63 A S H X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 3,-0.3 0.914 108.5 52.5 -62.2 -42.1 25.0 93.7 18.6 63 64 A A H ><>S+ 0 0 2 -4,-1.9 5,-2.9 1,-0.2 3,-0.7 0.903 104.0 56.8 -60.7 -40.8 23.2 96.8 17.2 64 65 A K H ><5S+ 0 0 46 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.848 98.4 61.1 -60.3 -34.3 23.0 98.3 20.7 65 66 A V H 3<5S+ 0 0 10 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.877 111.6 38.7 -60.3 -36.1 26.7 98.1 21.1 66 67 A L T <<5S- 0 0 39 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.362 112.8-119.2 -93.3 4.6 27.0 100.4 18.1 67 68 A R T < 5 + 0 0 93 -3,-1.2 2,-0.4 -4,-0.3 -3,-0.2 0.850 60.8 161.2 56.9 34.1 24.1 102.5 19.2 68 69 A M < - 0 0 7 -5,-2.9 2,-0.6 -6,-0.2 -1,-0.2 -0.705 35.6-138.4 -88.4 134.4 22.6 101.4 15.9 69 70 A E - 0 0 115 -2,-0.4 47,-2.7 -3,-0.1 -9,-0.0 -0.854 7.3-155.5 -98.9 121.5 18.8 101.7 15.5 70 71 A I - 0 0 21 -2,-0.6 2,-1.0 45,-0.2 47,-0.1 -0.867 9.4-149.4 -95.9 111.7 17.1 98.8 13.8 71 72 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.002 71.2 74.1 -73.0 32.9 13.8 100.2 12.4 72 73 A F S S- 0 0 30 -2,-1.0 -2,-0.1 4,-0.0 -62,-0.0 -0.992 83.2-112.6-144.2 148.0 11.9 96.9 12.7 73 74 A A >> - 0 0 32 -2,-0.3 4,-1.7 1,-0.1 3,-1.3 -0.526 33.7-114.3 -78.1 147.8 10.5 95.0 15.7 74 75 A P H 3> S+ 0 0 45 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.860 118.1 58.0 -49.0 -38.4 12.2 91.6 16.5 75 76 A E H 3> S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.839 103.3 52.1 -62.3 -34.7 9.0 89.9 15.5 76 77 A E H <> S+ 0 0 101 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.902 110.2 47.8 -69.1 -40.9 9.1 91.4 12.0 77 78 A L H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.896 109.5 53.7 -66.3 -39.4 12.7 90.2 11.5 78 79 A E H X S+ 0 0 22 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.899 109.8 47.5 -61.9 -40.1 11.7 86.8 12.7 79 80 A E H X S+ 0 0 69 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.899 110.7 51.8 -67.7 -40.3 8.9 86.7 10.1 80 81 A A H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.890 108.7 51.4 -62.7 -39.6 11.3 87.9 7.4 81 82 A I H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.889 111.1 47.1 -65.5 -39.3 13.8 85.1 8.4 82 83 A K H X S+ 0 0 54 -4,-1.9 4,-2.1 1,-0.2 3,-0.5 0.914 113.6 49.7 -67.4 -40.8 11.1 82.5 8.1 83 84 A E H X S+ 0 0 35 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.807 100.1 61.6 -68.9 -31.7 9.9 83.9 4.8 84 85 A V H X S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.818 110.4 43.9 -65.7 -26.0 13.4 84.0 3.2 85 86 A V H <>S+ 0 0 0 -4,-0.8 5,-2.2 -3,-0.5 4,-0.5 0.933 118.0 42.9 -79.6 -50.4 13.4 80.2 3.7 86 87 A R H ><5S+ 0 0 101 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.954 112.3 50.9 -59.2 -57.5 9.8 79.7 2.4 87 88 A R H 3<5S+ 0 0 126 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.2 0.728 114.7 44.1 -56.6 -26.7 9.9 82.1 -0.6 88 89 A N T 3<5S- 0 0 38 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.432 107.8-122.6 -99.5 -0.5 13.1 80.5 -1.9 89 90 A G T < 5 + 0 0 49 -3,-1.7 -3,-0.2 -4,-0.5 2,-0.2 0.828 52.8 164.8 63.9 32.7 12.0 76.9 -1.3 90 91 A Y < + 0 0 29 -5,-2.2 -1,-0.2 -6,-0.2 3,-0.1 -0.485 23.5 173.3 -81.9 152.5 15.0 76.2 0.9 91 92 A R S S+ 0 0 130 1,-0.3 2,-0.6 -2,-0.2 -43,-0.3 0.640 78.3 21.6-119.5 -62.1 15.2 73.1 3.2 92 93 A S S S+ 0 0 39 -51,-0.2 33,-2.7 33,-0.1 -1,-0.3 -0.957 90.6 142.9-113.0 112.1 18.7 73.1 4.7 93 94 A C E -EH 40 124A 0 -53,-1.4 -53,-2.4 -2,-0.6 2,-0.4 -0.943 50.5-117.7-148.4 167.6 20.2 76.6 4.4 94 95 A Y E -EH 39 123A 22 29,-2.6 29,-1.9 -2,-0.3 2,-0.5 -0.917 29.2-153.4-107.7 133.4 22.3 79.3 6.0 95 96 A I E -EH 38 122A 0 -57,-3.9 -57,-2.4 -2,-0.4 27,-0.2 -0.940 8.0-168.7-114.2 129.3 20.5 82.5 6.9 96 97 A R E - 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