==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUL-08 3DTF . COMPND 2 MOLECULE: BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR A.CASTELL,T.UNGE . 726 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 20.9 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 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 . 50 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 1 2 0 0 0 5 1 0 2 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 3 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 . 2 3 12 4 1 3 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 2 2 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 6 A L 0 0 105 0, 0.0 2,-0.4 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 112.1 27.4 3.8 3.1 2 7 A E - 0 0 144 46,-0.0 46,-0.4 47,-0.0 2,-0.4 -0.821 360.0-137.6-109.0 143.7 30.5 1.6 3.5 3 8 A F - 0 0 8 -2,-0.4 2,-0.3 44,-0.1 46,-0.3 -0.774 9.8-153.0 -97.5 136.4 31.1 -1.5 5.6 4 9 A T E -a 49 0A 85 44,-1.7 46,-2.8 -2,-0.4 2,-0.5 -0.780 17.8-133.5-101.9 151.2 34.2 -2.1 7.6 5 10 A V E -a 50 0A 79 -2,-0.3 2,-0.6 44,-0.2 46,-0.2 -0.931 20.6-176.6-117.9 125.5 35.2 -5.7 8.3 6 11 A S - 0 0 58 44,-3.3 3,-0.0 -2,-0.5 -2,-0.0 -0.929 28.9-139.7-114.9 101.5 36.3 -7.3 11.6 7 12 A A - 0 0 71 -2,-0.6 2,-0.6 44,-0.1 3,-0.0 -0.255 16.3-111.7 -64.5 145.7 37.3 -10.9 10.9 8 13 A N - 0 0 32 1,-0.2 -1,-0.1 43,-0.1 25,-0.1 -0.701 25.7-167.1 -80.0 118.5 36.3 -13.6 13.3 9 14 A T S S+ 0 0 140 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.600 84.9 41.4 -82.3 -13.5 39.6 -14.9 14.8 10 15 A N S S+ 0 0 141 22,-0.1 -1,-0.2 -3,-0.0 3,-0.1 -0.371 80.4 161.4-131.3 56.0 38.0 -18.0 16.3 11 16 A P - 0 0 52 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.105 51.8 -76.6 -69.6 172.8 35.5 -19.3 13.6 12 17 A A - 0 0 28 1,-0.1 20,-0.1 2,-0.1 5,-0.0 -0.481 56.8-104.6 -69.9 139.9 34.1 -22.8 13.5 13 18 A T > - 0 0 84 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.226 28.1-111.6 -61.7 157.4 36.6 -25.3 12.3 14 19 A D H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 120.6 54.5 -59.8 -32.5 36.1 -26.5 8.7 15 20 A A H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 110.0 45.4 -66.2 -48.3 35.2 -29.9 10.2 16 21 A V H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.932 113.6 49.4 -60.8 -47.4 32.5 -28.4 12.4 17 22 A R H X S+ 0 0 15 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.955 112.2 47.5 -56.5 -53.1 31.1 -26.2 9.6 18 23 A E H X S+ 0 0 108 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.893 110.6 53.1 -55.2 -42.4 30.9 -29.2 7.3 19 24 A S H X S+ 0 0 80 -4,-2.4 4,-0.8 2,-0.2 3,-0.4 0.940 110.0 47.9 -59.4 -47.3 29.2 -31.2 10.0 20 25 A I H >< S+ 0 0 15 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.951 109.9 52.1 -57.7 -52.0 26.6 -28.5 10.4 21 26 A L H 3< S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.754 106.8 53.3 -58.5 -27.4 26.0 -28.2 6.7 22 27 A A H 3< S+ 0 0 82 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.664 131.1 14.0 -82.8 -15.4 25.4 -32.0 6.5 23 28 A N S << S+ 0 0 130 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 -0.381 76.5 150.2-157.3 67.7 22.8 -31.8 9.2 24 29 A P - 0 0 8 0, 0.0 4,-0.5 0, 0.0 5,-0.4 0.744 26.2-166.9 -76.7 -26.8 21.8 -28.1 9.8 25 30 A G - 0 0 37 3,-0.1 144,-1.9 2,-0.1 2,-0.4 -0.461 48.1 -59.8 66.1-148.8 18.2 -28.4 11.0 26 31 A F S S- 0 0 29 142,-0.2 490,-0.2 145,-0.1 142,-0.2 -0.986 105.7 -13.5-138.4 130.0 16.7 -24.9 10.9 27 32 A G S S+ 0 0 1 140,-0.5 488,-2.0 -2,-0.4 489,-0.4 0.787 101.8 109.3 55.2 31.1 17.7 -21.8 12.7 28 33 A K S S+ 0 0 128 -4,-0.5 2,-0.3 139,-0.4 -3,-0.1 0.817 70.9 37.6-102.8 -43.3 19.9 -23.8 15.0 29 34 A Y - 0 0 74 -5,-0.4 2,-0.3 138,-0.4 -1,-0.2 -0.811 68.2-152.3-111.9 153.9 23.5 -22.9 13.9 30 35 A Y - 0 0 33 -2,-0.3 136,-0.2 136,-0.2 23,-0.1 -0.933 19.8-109.5-127.5 150.8 24.9 -19.6 12.8 31 36 A T - 0 0 2 134,-2.0 -1,-0.1 -2,-0.3 134,-0.1 -0.010 40.1 -98.0 -65.4 176.4 27.7 -18.6 10.5 32 37 A D S S+ 0 0 21 20,-0.1 21,-3.5 -20,-0.1 2,-0.2 0.768 98.5 38.0 -71.4 -28.4 31.0 -17.0 11.8 33 38 A H E -B 52 0A 17 19,-0.3 132,-0.4 88,-0.1 2,-0.3 -0.684 58.8-166.0-121.1 173.8 30.1 -13.4 11.1 34 39 A M E -B 51 0A 4 17,-2.6 17,-2.8 -2,-0.2 2,-0.4 -0.971 22.3-117.9-152.6 159.3 27.1 -10.9 11.2 35 40 A V E -BC 50 163A 0 128,-2.2 128,-1.8 -2,-0.3 2,-0.4 -0.837 25.6-170.3-105.9 142.5 26.3 -7.5 9.9 36 41 A S E +BC 49 162A 0 13,-2.7 13,-2.4 -2,-0.4 2,-0.4 -0.997 9.3 176.1-136.3 132.1 25.6 -4.5 12.1 37 42 A I E - C 0 161A 0 124,-2.1 124,-3.2 -2,-0.4 2,-0.2 -0.996 17.4-149.4-135.5 127.4 24.3 -1.0 11.2 38 43 A D E -BC 46 160A 43 8,-2.5 8,-3.0 -2,-0.4 2,-0.4 -0.651 7.3-158.1 -97.6 153.1 23.5 1.6 13.9 39 44 A Y E +BC 45 159A 46 120,-2.2 120,-1.7 -2,-0.2 2,-0.3 -0.996 17.4 162.0-136.0 134.4 20.8 4.3 13.7 40 45 A T E > -BC 44 158A 32 4,-1.1 4,-2.1 -2,-0.4 118,-0.2 -0.936 46.7-114.4-139.8 156.2 20.5 7.6 15.5 41 46 A V T 4 S+ 0 0 84 116,-0.7 4,-0.1 -2,-0.3 117,-0.1 0.861 114.5 46.1 -62.4 -36.1 18.3 10.6 14.5 42 47 A D T 4 S+ 0 0 154 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.772 126.8 24.6 -81.3 -26.5 21.3 12.8 13.9 43 48 A E T 4 S- 0 0 132 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.463 89.4-157.0-114.6 -5.0 23.5 10.4 11.9 44 49 A G E < - B 0 40A 20 -4,-2.1 -4,-1.1 2,-0.1 2,-0.5 -0.303 65.5 -0.9 60.3-148.7 20.8 8.1 10.5 45 50 A W E S+ B 0 39A 34 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.595 92.3 136.5 -75.7 123.0 22.1 4.7 9.4 46 51 A H E + B 0 38A 42 -8,-3.0 -8,-2.5 -2,-0.5 3,-0.1 -0.899 31.4 56.9-153.7-177.9 25.8 4.5 10.1 47 52 A N E - 0 0 82 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.912 66.0-173.7 51.6 48.3 28.7 2.5 11.4 48 53 A A E + 0 0 3 -46,-0.4 -44,-1.7 -11,-0.2 2,-0.3 -0.546 13.9 158.7 -73.5 132.2 27.9 -0.3 9.0 49 54 A Q E -aB 4 36A 35 -13,-2.4 -13,-2.7 -2,-0.3 2,-0.6 -0.996 46.3-131.4-157.5 160.4 30.1 -3.3 9.6 50 55 A V E +aB 5 35A 0 -46,-2.8 -44,-3.3 -2,-0.3 -15,-0.2 -0.971 43.0 166.7-111.1 116.6 30.8 -7.0 9.3 51 56 A I E - B 0 34A 27 -17,-2.8 -17,-2.6 -2,-0.6 -43,-0.1 -0.802 42.1 -75.3-127.8 169.5 31.8 -8.4 12.7 52 57 A P E - B 0 33A 46 0, 0.0 2,-0.3 0, 0.0 -19,-0.3 -0.307 56.1-100.7 -62.8 148.5 32.2 -11.8 14.4 53 58 A Y S S+ 0 0 38 -21,-3.5 -19,-0.0 -22,-0.1 111,-0.0 -0.571 72.0 126.0 -68.8 128.4 29.0 -13.6 15.3 54 59 A G - 0 0 17 -2,-0.3 368,-0.1 -3,-0.1 -3,-0.0 -0.992 58.5 -46.5-173.2 171.3 28.7 -12.9 19.1 55 60 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 368,-0.2 -0.082 49.8-140.7 -49.4 146.1 26.6 -11.7 22.1 56 61 A I E -I 422 0B 2 366,-3.2 366,-2.2 2,-0.0 2,-0.4 -0.837 10.2-134.0-110.7 147.3 25.0 -8.3 21.7 57 62 A Q E +I 421 0B 125 -2,-0.3 2,-0.3 364,-0.2 364,-0.2 -0.874 24.7 173.9-108.1 137.4 24.8 -5.7 24.5 58 63 A L E -I 420 0B 9 362,-2.3 362,-3.6 -2,-0.4 90,-0.1 -0.991 36.3-110.5-139.2 145.1 21.7 -3.8 25.5 59 64 A D > - 0 0 50 88,-0.4 3,-2.3 -2,-0.3 358,-0.0 -0.462 37.2-115.2 -68.4 146.4 20.9 -1.4 28.3 60 65 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 468,-0.1 0.793 117.4 50.4 -56.0 -26.2 18.5 -3.0 30.8 61 66 A S T 3 S+ 0 0 0 86,-0.1 5,-0.1 5,-0.0 -2,-0.0 0.229 77.9 144.5 -97.0 14.1 16.0 -0.3 29.8 62 67 A A X - 0 0 0 -3,-2.3 3,-1.9 87,-0.1 4,-0.4 -0.288 56.8-124.7 -56.3 133.4 16.3 -0.8 26.1 63 68 A I G >> S+ 0 0 1 85,-1.9 4,-3.2 1,-0.3 3,-2.1 0.843 107.8 59.7 -46.3 -47.6 12.9 -0.2 24.3 64 69 A V G 34 S+ 0 0 0 82,-2.3 4,-0.5 1,-0.3 -1,-0.3 0.774 102.4 56.2 -57.5 -24.5 12.9 -3.6 22.5 65 70 A L G <4 S+ 0 0 2 -3,-1.9 -1,-0.3 81,-0.2 -2,-0.2 0.517 123.5 20.5 -86.0 -5.2 13.1 -5.3 26.0 66 71 A H T <4 S+ 0 0 2 -3,-2.1 -2,-0.2 -4,-0.4 502,-0.2 0.661 132.9 29.7-128.5 -44.6 10.0 -3.6 27.3 67 72 A Y S < S- 0 0 12 -4,-3.2 502,-0.4 -5,-0.2 -3,-0.2 0.116 91.7-127.5-113.0 21.7 7.8 -2.3 24.4 68 73 A G + 0 0 1 -4,-0.5 2,-1.4 -5,-0.4 134,-0.4 0.665 42.0 166.3 40.6 36.4 8.6 -4.9 21.7 69 74 A Q + 0 0 0 -6,-0.3 77,-1.7 77,-0.1 2,-0.3 -0.651 32.1 116.2 -82.0 95.2 9.5 -2.4 19.0 70 75 A E E -D 145 0A 2 -2,-1.4 131,-0.4 75,-0.2 132,-0.3 -0.983 38.5-172.4-157.5 155.1 11.2 -4.8 16.6 71 76 A I E -D 144 0A 3 73,-2.0 73,-2.2 -2,-0.3 2,-0.3 -0.941 6.9-171.6-146.3 164.2 10.8 -6.3 13.0 72 77 A F E -D 143 0A 5 127,-1.8 2,-0.3 -2,-0.3 71,-0.2 -0.961 9.6-152.4-153.4 170.2 12.4 -9.0 10.9 73 78 A E - 0 0 0 69,-2.4 2,-0.3 -2,-0.3 21,-0.0 -0.839 7.6-151.2-137.4 173.9 12.7 -10.6 7.5 74 79 A G + 0 0 1 -2,-0.3 2,-0.2 67,-0.2 67,-0.2 -0.900 27.9 135.5-156.4 123.7 13.5 -14.0 6.1 75 80 A L E -E 140 0A 3 65,-1.8 65,-3.4 -2,-0.3 2,-0.3 -0.853 35.4-115.2-150.2-175.8 15.1 -15.1 2.8 76 81 A K E -E 139 0A 16 63,-0.3 12,-0.7 -2,-0.2 2,-0.4 -0.892 1.2-145.2-134.1 162.5 17.7 -17.5 1.5 77 82 A A E -EF 138 87A 0 61,-1.8 61,-2.3 -2,-0.3 2,-0.3 -0.987 23.1-164.8-124.0 132.3 21.0 -17.7 -0.3 78 83 A Y E - F 0 86A 20 8,-3.3 8,-2.8 -2,-0.4 2,-0.5 -0.924 15.8-133.6-122.1 146.7 21.6 -20.6 -2.7 79 84 A R E - F 0 85A 56 -2,-0.3 54,-0.5 51,-0.3 2,-0.2 -0.851 25.5-151.2 -98.6 130.0 24.8 -21.9 -4.3 80 85 A W > - 0 0 54 4,-2.8 3,-2.4 -2,-0.5 52,-0.2 -0.646 27.4-108.6-101.6 159.3 24.6 -22.7 -8.1 81 86 A A T 3 S+ 0 0 102 268,-0.4 -1,-0.1 1,-0.3 269,-0.1 0.732 118.3 60.3 -54.4 -26.4 26.5 -25.2 -10.2 82 87 A D T 3 S- 0 0 102 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.259 120.6-108.3 -87.4 11.3 28.5 -22.4 -11.8 83 88 A G S < S+ 0 0 50 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.0 0.207 77.9 128.7 84.7 -17.3 29.9 -21.5 -8.3 84 89 A S - 0 0 6 -5,-0.1 -4,-2.8 279,-0.1 2,-0.5 -0.284 53.4-135.0 -71.3 157.8 27.9 -18.2 -7.9 85 90 A I E +F 79 0A 3 -6,-0.2 277,-3.1 -3,-0.1 278,-2.9 -0.970 31.1 174.5-115.1 128.0 25.8 -17.5 -4.9 86 91 A V E -FG 78 361A 5 -8,-2.8 -8,-3.3 -2,-0.5 2,-0.3 -0.797 19.7-143.9-129.4 171.1 22.3 -16.1 -5.5 87 92 A S E -FG 77 360A 0 273,-2.8 273,-2.7 -2,-0.3 2,-0.7 -0.945 24.4-111.9-134.6 156.1 19.1 -15.1 -3.6 88 93 A F E S- G 0 359A 11 -12,-0.7 -12,-0.2 -2,-0.3 271,-0.2 -0.812 86.6 -33.7 -94.7 112.9 15.4 -15.4 -4.4 89 94 A R S >> S+ 0 0 44 269,-2.6 3,-1.2 -2,-0.7 4,-1.0 0.867 70.6 173.9 43.2 55.1 13.7 -11.9 -4.9 90 95 A P H >> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.868 74.7 62.3 -54.2 -40.1 15.9 -10.1 -2.3 91 96 A E H 3> S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.805 96.8 58.1 -57.4 -34.0 14.3 -6.8 -3.4 92 97 A A H <> S+ 0 0 19 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.891 107.8 45.5 -66.5 -37.7 10.9 -8.1 -2.2 93 98 A N H S+ 0 0 2 -4,-2.3 5,-3.3 -5,-0.2 3,-0.2 0.921 108.5 50.5 -61.0 -45.5 9.2 -0.6 9.7 102 107 A R H ><5S+ 0 0 118 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.943 108.9 51.0 -58.5 -48.4 6.6 2.0 8.8 103 108 A R H 3<5S+ 0 0 38 -4,-2.1 470,-0.4 1,-0.3 -1,-0.2 0.803 115.4 43.2 -59.6 -30.4 3.8 0.1 10.6 104 109 A L T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.193 115.8-110.6-102.3 16.9 6.0 -0.2 13.8 105 110 A A T < 5S+ 0 0 24 -3,-1.7 -3,-0.2 1,-0.2 51,-0.1 0.868 70.9 142.7 57.9 39.6 7.3 3.4 13.7 106 111 A I < - 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