==== 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 23-SEP-09 3JZ6 . COMPND 2 MOLECULE: BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR A.CASTELL,C.MILLE,T.UNGE . 726 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 473 65.2 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 . 157 21.6 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 0.8 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 . 49 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.3 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 2 2 0 0 0 5 1 0 2 0 3 3 0 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 . 5 4 11 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 0 4 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 0 106 0, 0.0 2,-0.4 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 123.1 27.4 3.5 3.0 2 7 A E - 0 0 148 47,-0.0 2,-0.5 2,-0.0 46,-0.4 -0.791 360.0-144.6 -98.6 133.2 30.8 2.0 3.5 3 8 A F - 0 0 10 -2,-0.4 2,-0.4 44,-0.1 46,-0.3 -0.832 6.7-154.4-100.1 131.6 31.2 -1.3 5.3 4 9 A T E -a 49 0A 64 44,-1.6 46,-3.4 -2,-0.5 2,-0.5 -0.815 13.1-139.8-101.2 143.0 34.2 -2.0 7.6 5 10 A V E -a 50 0A 79 -2,-0.4 2,-0.6 44,-0.2 46,-0.2 -0.900 18.8-177.2-113.2 126.4 35.3 -5.7 8.1 6 11 A S - 0 0 59 44,-3.4 3,-0.1 -2,-0.5 -2,-0.0 -0.830 28.9-141.8-117.2 88.0 36.5 -7.1 11.4 7 12 A A - 0 0 71 -2,-0.6 2,-0.7 1,-0.1 26,-0.0 -0.029 16.4-111.9 -49.7 148.1 37.4 -10.7 10.6 8 13 A N - 0 0 31 1,-0.1 -1,-0.1 43,-0.1 25,-0.0 -0.779 25.1-167.7 -86.1 114.1 36.7 -13.5 13.1 9 14 A T S S+ 0 0 145 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.1 0.488 86.0 43.7 -81.4 -3.6 40.0 -14.8 14.4 10 15 A N S S+ 0 0 135 22,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.323 80.1 160.2-136.0 53.8 38.3 -17.8 15.9 11 16 A P - 0 0 52 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.148 53.3 -74.8 -70.4 170.6 35.8 -19.1 13.3 12 17 A A - 0 0 30 1,-0.1 20,-0.1 2,-0.1 -2,-0.0 -0.444 56.7-108.6 -66.6 137.6 34.4 -22.6 13.3 13 18 A T > - 0 0 85 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.178 27.6-108.6 -61.0 160.0 36.9 -25.1 12.1 14 19 A D H > S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 121.8 55.0 -59.0 -34.8 36.4 -26.7 8.6 15 20 A A H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.952 110.3 43.5 -63.5 -50.6 35.4 -29.9 10.4 16 21 A V H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.929 115.1 49.1 -61.2 -47.4 32.7 -28.2 12.5 17 22 A R H X S+ 0 0 17 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.947 112.9 46.5 -58.4 -50.9 31.4 -26.2 9.6 18 23 A E H X S+ 0 0 105 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.862 111.3 53.4 -60.1 -36.9 31.2 -29.3 7.3 19 24 A S H X S+ 0 0 82 -4,-2.2 4,-1.5 -5,-0.2 3,-0.4 0.941 110.1 47.1 -63.3 -46.7 29.6 -31.2 10.1 20 25 A I H < S+ 0 0 15 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.922 109.3 53.1 -60.6 -45.6 26.9 -28.5 10.5 21 26 A L H < S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.774 105.4 56.6 -62.6 -26.1 26.3 -28.3 6.8 22 27 A A H < S+ 0 0 77 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.872 129.9 10.6 -72.5 -39.0 25.7 -32.1 6.8 23 28 A N S < S+ 0 0 135 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 -0.563 77.8 153.0-140.4 71.3 22.9 -31.9 9.4 24 29 A P - 0 0 5 0, 0.0 4,-0.5 0, 0.0 5,-0.4 0.771 22.9-172.3 -73.2 -28.6 22.1 -28.2 9.8 25 30 A G - 0 0 36 3,-0.1 144,-2.4 -4,-0.1 145,-0.4 -0.427 45.6 -58.9 64.3-145.0 18.5 -28.4 10.9 26 31 A F S S- 0 0 31 142,-0.2 490,-0.2 143,-0.1 142,-0.2 -0.981 105.2 -12.8-141.3 130.1 16.9 -24.9 11.0 27 32 A G S S+ 0 0 2 140,-0.4 488,-1.5 -2,-0.4 489,-0.4 0.795 102.3 107.6 55.7 29.6 17.9 -21.8 12.9 28 33 A K S S+ 0 0 121 -4,-0.5 2,-0.3 139,-0.4 -3,-0.1 0.821 72.5 36.7-101.8 -47.2 20.2 -23.9 15.0 29 34 A Y - 0 0 76 -5,-0.4 2,-0.3 138,-0.4 -1,-0.2 -0.748 67.4-154.0-109.2 157.6 23.7 -22.9 13.9 30 35 A Y - 0 0 32 -2,-0.3 136,-0.2 136,-0.2 4,-0.1 -0.949 20.6-106.6-132.7 152.4 25.1 -19.6 12.7 31 36 A T - 0 0 3 134,-1.9 22,-0.1 -2,-0.3 -1,-0.1 -0.009 38.9-100.1 -66.6 174.7 27.9 -18.5 10.4 32 37 A D S S+ 0 0 22 20,-0.1 21,-3.2 -20,-0.1 2,-0.2 0.772 99.7 38.3 -70.9 -28.8 31.2 -16.9 11.6 33 38 A H E -B 52 0A 18 19,-0.3 132,-0.4 88,-0.1 2,-0.3 -0.701 58.8-167.2-121.5 173.5 30.2 -13.4 10.9 34 39 A M E -B 51 0A 4 17,-2.7 17,-2.5 -2,-0.2 2,-0.4 -0.969 23.4-118.5-152.3 155.8 27.2 -11.0 11.1 35 40 A V E -BC 50 163A 0 128,-2.4 128,-2.0 -2,-0.3 2,-0.4 -0.837 26.7-172.1-103.7 141.2 26.4 -7.5 9.8 36 41 A S E +BC 49 162A 0 13,-2.7 13,-2.9 -2,-0.4 2,-0.4 -0.998 9.8 174.8-136.4 133.5 25.7 -4.5 12.0 37 42 A I E - C 0 161A 0 124,-2.2 124,-3.3 -2,-0.4 2,-0.2 -0.991 17.8-148.8-138.3 126.9 24.5 -1.0 11.1 38 43 A D E -BC 46 160A 44 8,-2.1 8,-2.8 -2,-0.4 2,-0.4 -0.610 7.3-155.2 -96.6 155.1 23.6 1.6 13.8 39 44 A Y E +BC 45 159A 48 120,-2.2 120,-1.5 6,-0.2 2,-0.3 -0.995 17.1 164.6-136.2 136.1 21.0 4.3 13.5 40 45 A T E > -BC 44 158A 35 4,-0.9 4,-2.4 -2,-0.4 118,-0.2 -0.953 45.5-115.8-140.7 153.6 20.6 7.7 15.3 41 46 A V T 4 S+ 0 0 86 116,-0.6 4,-0.1 -2,-0.3 -1,-0.1 0.865 115.4 42.4 -59.4 -36.9 18.4 10.7 14.4 42 47 A D T 4 S+ 0 0 155 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.892 127.3 26.6 -79.8 -41.9 21.5 12.8 13.7 43 48 A E T 4 S- 0 0 134 1,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.539 90.2-159.1 -99.3 -7.3 23.7 10.4 11.8 44 49 A G E < - B 0 40A 20 -4,-2.4 -4,-0.9 2,-0.1 2,-0.5 -0.254 63.5 -2.5 60.5-153.4 21.0 8.2 10.3 45 50 A W E S+ B 0 39A 37 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.585 93.4 137.6 -72.1 118.7 22.2 4.8 9.2 46 51 A H E + B 0 38A 38 -8,-2.8 -8,-2.1 -2,-0.5 3,-0.1 -0.871 32.5 54.6-149.2-178.1 25.9 4.6 9.9 47 52 A N E - 0 0 79 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.872 64.7-177.2 52.9 41.6 28.8 2.6 11.2 48 53 A A E + 0 0 1 -46,-0.4 -44,-1.6 -11,-0.2 2,-0.3 -0.580 14.1 160.5 -71.3 123.2 27.9 -0.3 8.8 49 54 A Q E -aB 4 36A 41 -13,-2.9 -13,-2.7 -2,-0.4 2,-0.6 -0.986 45.5-129.4-148.8 158.6 30.3 -3.2 9.5 50 55 A V E +aB 5 35A 0 -46,-3.4 -44,-3.4 -2,-0.3 -15,-0.2 -0.932 43.3 166.8-106.2 113.7 30.9 -6.9 9.1 51 56 A I E - B 0 34A 24 -17,-2.5 -17,-2.7 -2,-0.6 -43,-0.1 -0.789 40.9 -77.6-125.8 168.9 31.9 -8.3 12.5 52 57 A P E - B 0 33A 45 0, 0.0 2,-0.4 0, 0.0 -19,-0.3 -0.308 54.7-100.2 -64.0 147.1 32.3 -11.7 14.2 53 58 A Y S S+ 0 0 41 -21,-3.2 -23,-0.0 -22,-0.1 111,-0.0 -0.560 71.9 126.9 -68.1 123.7 29.1 -13.5 15.2 54 59 A G - 0 0 17 -2,-0.4 368,-0.1 368,-0.1 -3,-0.0 -0.990 58.2 -46.9-168.7 171.6 28.8 -12.8 19.0 55 60 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 368,-0.2 -0.043 52.2-131.3 -48.7 146.3 26.8 -11.6 22.0 56 61 A I E -J 422 0B 3 366,-3.7 366,-1.8 2,-0.0 2,-0.5 -0.815 11.9-132.3-104.4 145.3 25.0 -8.2 21.6 57 62 A Q E +J 421 0B 103 -2,-0.3 2,-0.3 364,-0.2 364,-0.2 -0.838 30.5 170.2-100.7 129.0 25.2 -5.4 24.2 58 63 A L E -J 420 0B 9 362,-2.3 362,-2.8 -2,-0.5 360,-0.1 -0.995 35.5-115.9-139.2 146.4 22.0 -3.7 25.3 59 64 A D > - 0 0 50 88,-0.4 3,-2.8 -2,-0.3 6,-0.2 -0.569 33.2-119.5 -76.0 141.6 21.0 -1.2 28.1 60 65 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 468,-0.1 0.793 116.2 49.1 -51.5 -31.2 18.5 -2.8 30.6 61 66 A S T 3 S+ 0 0 0 86,-0.1 5,-0.1 5,-0.0 -2,-0.0 0.270 78.3 144.6 -93.8 11.0 16.0 -0.1 29.6 62 67 A A X - 0 0 0 -3,-2.8 3,-1.7 87,-0.2 4,-0.3 -0.271 56.3-127.8 -51.7 129.3 16.4 -0.7 25.9 63 68 A I T >> S+ 0 0 2 85,-2.0 4,-3.2 1,-0.3 3,-2.0 0.843 105.9 61.7 -49.2 -42.1 13.0 -0.1 24.3 64 69 A V H 3> S+ 0 0 0 82,-2.0 4,-0.6 1,-0.3 -1,-0.3 0.825 101.3 54.5 -58.4 -28.1 13.1 -3.5 22.4 65 70 A L H <4 S+ 0 0 2 -3,-1.7 -1,-0.3 81,-0.2 -2,-0.2 0.517 123.7 23.0 -84.7 -2.5 13.3 -5.2 25.8 66 71 A H H <4 S+ 0 0 2 -3,-2.0 -2,-0.2 -4,-0.3 502,-0.1 0.663 132.8 27.7-127.8 -44.0 10.1 -3.5 27.1 67 72 A Y H < S- 0 0 12 -4,-3.2 502,-0.6 -5,-0.2 -3,-0.2 0.062 92.3-127.5-116.1 24.4 7.9 -2.3 24.3 68 73 A G < + 0 0 1 -4,-0.6 2,-1.2 -5,-0.3 134,-0.3 0.643 40.5 168.8 37.1 37.9 8.8 -4.8 21.6 69 74 A Q + 0 0 1 -6,-0.3 77,-1.6 77,-0.1 2,-0.3 -0.656 32.6 116.3 -79.0 100.0 9.7 -2.4 18.9 70 75 A E E -D 145 0A 2 -2,-1.2 131,-0.6 75,-0.2 132,-0.3 -0.982 38.3-172.7-164.4 153.1 11.3 -4.8 16.4 71 76 A I E -DE 144 200A 3 73,-1.8 73,-2.0 -2,-0.3 2,-0.3 -0.945 7.9-172.0-146.0 162.7 10.9 -6.3 12.9 72 77 A F E -D 143 0A 4 127,-2.0 2,-0.3 -2,-0.3 71,-0.2 -0.960 10.3-150.2-153.2 171.2 12.5 -9.0 10.8 73 78 A E - 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