==== 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 15-JUL-08 3DTG . 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) . 27082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 21.1 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 0.8 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 . 54 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 21.8 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 2 0 0 0 0 3 1 0 1 1 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 0 PARALLEL BRIDGES PER LADDER . 2 4 11 2 3 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 0 111 0, 0.0 2,-0.5 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 132.4 27.5 3.4 3.0 2 7 A E - 0 0 152 46,-0.0 2,-0.4 47,-0.0 46,-0.4 -0.773 360.0-151.0 -95.0 128.4 31.0 2.0 3.8 3 8 A F - 0 0 11 -2,-0.5 2,-0.3 44,-0.1 46,-0.3 -0.801 3.7-153.5 -99.1 138.3 31.3 -1.3 5.6 4 9 A T E -a 49 0A 70 44,-1.3 46,-3.3 -2,-0.4 2,-0.5 -0.832 12.2-141.7-106.2 146.4 34.3 -2.1 7.8 5 10 A V E -a 50 0A 79 -2,-0.3 2,-0.6 44,-0.2 46,-0.2 -0.940 18.9-178.9-120.3 124.6 35.4 -5.8 8.4 6 11 A S - 0 0 63 44,-2.8 3,-0.0 -2,-0.5 -2,-0.0 -0.944 30.2-137.4-116.8 103.0 36.7 -7.3 11.6 7 12 A A - 0 0 74 -2,-0.6 2,-0.5 1,-0.1 3,-0.0 -0.254 17.5-109.6 -64.0 146.1 37.5 -10.9 10.9 8 13 A N - 0 0 33 1,-0.2 -1,-0.1 43,-0.1 25,-0.1 -0.676 25.5-162.8 -77.6 122.3 36.5 -13.7 13.3 9 14 A T S S+ 0 0 140 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.681 86.0 36.8 -80.0 -21.1 39.8 -15.0 14.8 10 15 A N S S+ 0 0 140 22,-0.1 -1,-0.2 -3,-0.0 3,-0.1 -0.495 80.9 164.6-131.6 64.7 38.2 -18.2 16.1 11 16 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 20,-0.0 -0.226 51.2 -73.4 -74.9 168.7 35.7 -19.3 13.5 12 17 A A - 0 0 28 1,-0.1 20,-0.1 2,-0.1 19,-0.0 -0.368 57.9-106.9 -62.5 141.0 34.1 -22.8 13.3 13 18 A T > - 0 0 81 1,-0.1 4,-3.0 -3,-0.1 5,-0.2 -0.254 27.3-109.6 -65.6 159.4 36.6 -25.3 12.0 14 19 A D H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.826 121.6 52.2 -59.8 -31.7 36.1 -26.7 8.5 15 20 A A H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 110.9 45.2 -70.4 -47.4 35.1 -30.0 10.1 16 21 A V H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.924 114.8 48.7 -62.2 -45.4 32.5 -28.4 12.4 17 22 A R H X S+ 0 0 16 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.951 112.2 47.3 -60.4 -50.9 31.1 -26.2 9.6 18 23 A E H X S+ 0 0 113 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.888 110.1 54.1 -58.3 -39.9 30.9 -29.2 7.2 19 24 A S H X S+ 0 0 80 -4,-2.3 4,-1.6 1,-0.2 3,-0.4 0.941 110.3 46.8 -58.7 -48.1 29.2 -31.2 9.9 20 25 A I H < S+ 0 0 16 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 108.5 53.5 -60.5 -47.0 26.6 -28.5 10.4 21 26 A L H < S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.757 108.5 52.7 -61.7 -24.1 25.9 -28.1 6.6 22 27 A A H < S+ 0 0 71 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.860 130.0 14.5 -79.1 -38.1 25.3 -31.9 6.5 23 28 A N S < S+ 0 0 136 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 -0.598 78.7 148.6-136.7 72.3 22.7 -31.8 9.4 24 29 A P - 0 0 6 0, 0.0 4,-0.5 0, 0.0 5,-0.4 0.792 25.5-170.7 -78.5 -30.8 21.8 -28.1 9.8 25 30 A G - 0 0 41 3,-0.1 144,-2.7 2,-0.1 2,-0.4 -0.492 47.8 -57.3 68.4-145.1 18.1 -28.3 11.0 26 31 A F S S- 0 0 31 142,-0.2 490,-0.3 143,-0.1 142,-0.2 -0.975 105.8 -14.8-140.6 129.2 16.7 -24.8 11.0 27 32 A G S S+ 0 0 1 140,-0.4 488,-1.7 -2,-0.4 489,-0.3 0.733 101.5 110.4 57.5 24.2 17.8 -21.7 12.8 28 33 A K S S+ 0 0 127 -4,-0.5 2,-0.3 139,-0.4 -3,-0.1 0.866 71.0 36.7 -93.5 -48.1 20.0 -23.8 15.0 29 34 A Y - 0 0 81 -5,-0.4 2,-0.3 138,-0.4 -1,-0.2 -0.793 67.7-152.8-110.5 153.9 23.5 -22.9 13.9 30 35 A Y - 0 0 34 -2,-0.3 136,-0.2 136,-0.2 4,-0.1 -0.889 20.0-109.8-125.2 153.8 24.9 -19.5 12.8 31 36 A T - 0 0 4 134,-1.6 -1,-0.1 -2,-0.3 22,-0.1 -0.018 39.6 -96.5 -70.8-178.6 27.8 -18.5 10.5 32 37 A D S S+ 0 0 20 20,-0.1 21,-3.0 -20,-0.1 2,-0.2 0.737 99.8 36.2 -74.8 -24.8 31.1 -17.0 11.7 33 38 A H E -B 52 0A 15 19,-0.3 132,-0.4 88,-0.1 2,-0.3 -0.757 58.0-166.0-126.4 173.2 30.1 -13.3 11.1 34 39 A M E -B 51 0A 4 17,-2.7 17,-2.5 -2,-0.2 2,-0.4 -0.954 23.6-118.1-150.2 160.9 27.2 -11.0 11.2 35 40 A V E -BC 50 163A 0 128,-2.1 128,-1.9 -2,-0.3 2,-0.4 -0.885 26.9-172.3-108.2 139.8 26.4 -7.5 9.9 36 41 A S E +BC 49 162A 0 13,-2.6 13,-2.0 -2,-0.4 2,-0.4 -0.997 8.3 175.0-135.0 131.8 25.7 -4.6 12.2 37 42 A I E - C 0 161A 0 124,-2.2 124,-3.2 -2,-0.4 2,-0.2 -0.998 18.2-145.9-136.4 131.0 24.6 -1.0 11.3 38 43 A D E -BC 46 160A 40 8,-2.4 8,-2.8 -2,-0.4 2,-0.4 -0.587 7.1-157.7 -97.3 159.1 23.6 1.6 13.9 39 44 A Y E +BC 45 159A 48 120,-2.1 120,-1.8 6,-0.2 2,-0.3 -0.990 16.8 162.9-140.3 130.6 21.0 4.3 13.7 40 45 A T E > -BC 44 158A 30 4,-1.3 4,-2.4 -2,-0.4 118,-0.2 -0.947 46.9-114.4-136.8 154.1 20.7 7.6 15.6 41 46 A V T 4 S+ 0 0 83 116,-0.7 -1,-0.1 -2,-0.3 4,-0.1 0.879 115.0 45.5 -58.4 -38.8 18.5 10.6 14.6 42 47 A D T 4 S+ 0 0 156 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.832 125.5 27.2 -76.5 -34.5 21.5 12.8 13.9 43 48 A E T 4 S- 0 0 131 1,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.528 89.2-156.7-106.0 -7.6 23.7 10.4 11.9 44 49 A G E < - B 0 40A 21 -4,-2.4 -4,-1.3 2,-0.1 2,-0.4 -0.364 66.2 -3.1 63.2-148.5 21.0 8.2 10.4 45 50 A W E S+ B 0 39A 31 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.633 92.2 138.9 -78.0 126.0 22.3 4.7 9.5 46 51 A H E + B 0 38A 35 -8,-2.8 -8,-2.4 -2,-0.4 3,-0.1 -0.911 33.3 54.4-153.8 179.5 26.0 4.6 10.1 47 52 A N E - 0 0 79 -2,-0.3 2,-0.2 -10,-0.2 -1,-0.1 0.894 66.0-177.0 52.9 44.1 28.9 2.5 11.4 48 53 A A E + 0 0 2 -46,-0.4 -44,-1.3 -11,-0.2 2,-0.3 -0.520 13.4 156.2 -71.2 136.6 28.0 -0.3 9.1 49 54 A Q E -aB 4 36A 41 -13,-2.0 -13,-2.6 -46,-0.3 2,-0.6 -0.997 46.8-126.0-161.1 162.8 30.3 -3.2 9.6 50 55 A V E +aB 5 35A 0 -46,-3.3 -44,-2.8 -2,-0.3 -15,-0.2 -0.970 42.9 166.9-112.1 117.2 30.9 -7.0 9.3 51 56 A I E - B 0 34A 25 -17,-2.5 -17,-2.7 -2,-0.6 -43,-0.1 -0.810 41.4 -76.9-128.7 169.6 31.9 -8.4 12.7 52 57 A P E - B 0 33A 44 0, 0.0 -19,-0.3 0, 0.0 2,-0.2 -0.331 55.1-101.1 -64.2 146.1 32.3 -11.8 14.3 53 58 A Y S S+ 0 0 38 -21,-3.0 -19,-0.0 -22,-0.1 111,-0.0 -0.522 71.5 121.8 -67.7 132.9 29.1 -13.5 15.3 54 59 A G - 0 0 18 -2,-0.2 368,-0.1 -3,-0.1 -3,-0.0 -0.982 60.4 -42.7-178.0 172.8 28.8 -13.0 19.1 55 60 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 368,-0.2 -0.129 52.2-137.3 -52.5 143.0 26.7 -11.7 22.1 56 61 A I E -I 422 0B 3 366,-3.7 366,-1.9 2,-0.0 2,-0.4 -0.702 11.1-128.4-102.3 156.4 25.1 -8.3 21.7 57 62 A Q E +I 421 0B 110 -2,-0.3 2,-0.3 364,-0.2 364,-0.2 -0.891 29.3 170.8-110.2 134.0 25.1 -5.6 24.3 58 63 A L E -I 420 0B 11 362,-2.1 362,-2.8 -2,-0.4 360,-0.1 -1.000 35.9-115.1-142.8 141.3 21.9 -3.8 25.5 59 64 A D > - 0 0 47 88,-0.4 3,-2.5 -2,-0.3 358,-0.0 -0.494 35.2-118.2 -69.2 143.4 21.0 -1.3 28.2 60 65 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 468,-0.1 0.794 116.5 49.6 -53.9 -29.6 18.5 -3.0 30.7 61 66 A S T 3 S+ 0 0 0 86,-0.1 5,-0.1 5,-0.0 -2,-0.1 0.257 77.9 144.2 -94.8 12.0 16.0 -0.3 29.8 62 67 A A X - 0 0 0 -3,-2.5 3,-1.9 87,-0.2 4,-0.4 -0.267 58.2-124.1 -52.7 130.8 16.4 -0.7 26.0 63 68 A I T >> S+ 0 0 2 85,-2.2 4,-3.0 1,-0.3 3,-1.8 0.827 107.4 61.5 -48.7 -39.5 13.0 -0.1 24.4 64 69 A V H 3> S+ 0 0 0 82,-2.1 4,-0.5 1,-0.3 -1,-0.3 0.807 100.2 56.4 -61.5 -26.1 13.0 -3.5 22.6 65 70 A L H <4 S+ 0 0 1 -3,-1.9 -1,-0.3 81,-0.2 -2,-0.2 0.516 122.7 22.2 -83.7 -3.6 13.2 -5.2 26.0 66 71 A H H <4 S+ 0 0 2 -3,-1.8 -2,-0.2 -4,-0.4 502,-0.2 0.656 132.8 28.5-128.5 -41.6 10.0 -3.5 27.2 67 72 A Y H < S- 0 0 12 -4,-3.0 502,-0.2 -5,-0.2 -3,-0.2 0.081 92.5-127.1-117.5 23.5 7.8 -2.3 24.4 68 73 A G < + 0 0 1 -4,-0.5 2,-1.4 -5,-0.3 134,-0.3 0.635 41.3 167.8 39.1 36.0 8.7 -4.8 21.7 69 74 A Q + 0 0 0 -6,-0.3 77,-1.8 77,-0.1 2,-0.3 -0.622 32.7 114.1 -80.2 97.3 9.7 -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 -0.978 39.2-171.4-157.9 157.9 11.3 -4.8 16.5 71 76 A I E -D 144 0A 3 73,-1.9 73,-2.1 -2,-0.3 2,-0.3 -0.963 8.0-168.2-149.3 162.8 10.8 -6.2 13.0 72 77 A F E -D 143 0A 6 127,-2.2 2,-0.3 -2,-0.3 71,-0.2 -0.943 10.1-152.5-150.4 172.4 12.4 -8.9 10.9 73 78 A E - 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