==== 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 06-APR-04 1SZS . COMPND 2 MOLECULE: 4-AMINOBUTYRATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.LIU,P.E.PETERSON,J.A.LANGSTON,X.JIN,X.ZHOU,A.J.FISHER,M.D. . 1700 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1264 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 189 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 87 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 565 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 46 2.7 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 9 0 4 0 0 0 1 7 0 8 8 0 8 1 0 3 1 1 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 8 8 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 . 13 3 8 13 0 7 0 0 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 . 7 0 8 0 0 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 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 N 0 0 128 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 31.0 61.9 43.7 9.0 2 3 A S > - 0 0 32 1,-0.1 4,-2.3 36,-0.1 5,-0.2 -0.822 360.0-116.4-109.8 156.9 63.1 40.2 10.0 3 4 A N H > S+ 0 0 16 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.937 115.9 49.3 -57.6 -46.7 61.2 38.3 12.7 4 5 A K H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 110.9 49.6 -57.4 -49.6 64.2 38.3 15.0 5 6 A E H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 111.9 47.9 -55.8 -46.0 64.8 42.0 14.6 6 7 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.889 109.3 53.3 -66.8 -37.9 61.1 42.7 15.3 7 8 A M H X S+ 0 0 49 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.874 106.7 53.5 -64.4 -35.9 61.2 40.4 18.4 8 9 A Q H X S+ 0 0 103 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.945 109.6 46.9 -62.0 -47.7 64.3 42.4 19.7 9 10 A R H X S+ 0 0 76 -4,-2.0 4,-2.0 1,-0.2 3,-0.4 0.872 108.8 57.2 -60.9 -35.9 62.3 45.6 19.3 10 11 A R H X S+ 0 0 15 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.921 101.9 54.0 -59.6 -47.3 59.4 43.9 21.1 11 12 A S H < S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.768 112.3 47.1 -60.0 -27.8 61.5 43.1 24.2 12 13 A Q H < S+ 0 0 145 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.841 125.6 23.3 -81.2 -37.9 62.4 46.8 24.3 13 14 A A H < S+ 0 0 5 -4,-2.0 517,-2.3 -3,-0.1 -2,-0.2 0.615 112.8 60.5-108.2 -14.4 58.9 48.3 23.9 14 15 A I S < S- 0 0 1 -4,-3.1 517,-0.1 515,-0.2 -1,-0.1 -0.928 83.4-103.9-123.9 141.2 56.4 45.7 25.0 15 16 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 697,-0.1 -0.301 18.6-132.9 -62.4 139.0 55.9 44.0 28.4 16 17 A R T 3 S+ 0 0 123 1,-0.3 701,-0.3 -5,-0.1 703,-0.1 0.695 101.7 79.5 -63.2 -17.4 57.0 40.4 28.8 17 18 A G T 3 S+ 0 0 0 699,-0.2 702,-2.1 694,-0.2 700,-1.8 0.777 74.2 79.9 -61.9 -26.7 53.6 39.9 30.3 18 19 A V B < S-a 719 0A 2 -3,-1.8 702,-0.1 698,-0.2 -1,-0.1 -0.756 87.2-142.6 -81.8 103.5 52.1 39.8 26.8 19 20 A G - 0 0 17 -2,-1.1 2,-0.4 700,-0.7 -2,-0.1 -0.167 8.5-150.7 -64.5 161.9 53.0 36.2 25.9 20 21 A Q - 0 0 38 1,-0.1 485,-0.2 -4,-0.1 484,-0.1 -0.857 11.9-175.9-137.8 97.8 54.1 35.3 22.4 21 22 A I S S+ 0 0 83 483,-2.4 484,-0.2 -2,-0.4 -1,-0.1 0.912 82.0 28.6 -61.7 -43.5 53.2 31.8 21.4 22 23 A H E S-b 506 0B 0 483,-1.4 2,-2.6 482,-0.2 485,-0.5 -0.981 76.4-139.5-122.9 122.3 55.0 32.1 18.0 23 24 A P E + 0 0 57 0, 0.0 2,-0.4 0, 0.0 -16,-0.1 -0.383 67.4 114.9 -77.6 64.8 58.0 34.5 17.6 24 25 A I E - 0 0 7 -2,-2.6 483,-1.9 481,-0.2 2,-0.7 -0.997 60.3-142.2-139.7 139.6 56.7 35.6 14.2 25 26 A F E -b 507 0B 0 -2,-0.4 12,-2.0 481,-0.2 483,-0.3 -0.895 22.3-145.9-105.0 110.2 55.5 38.9 12.8 26 27 A A E -C 36 0C 2 481,-2.8 483,-0.5 -2,-0.7 10,-0.3 -0.443 16.9-177.1 -70.8 146.0 52.6 38.3 10.4 27 28 A D E - 0 0 43 8,-3.9 2,-0.3 1,-0.5 9,-0.2 0.743 62.3 -10.0-112.1 -46.1 52.5 40.7 7.5 28 29 A R E -C 35 0C 115 7,-1.4 7,-2.8 8,-0.0 -1,-0.5 -0.944 61.5-167.7-149.5 167.0 49.4 39.8 5.5 29 30 A A E -C 34 0C 7 468,-2.8 2,-0.3 -2,-0.3 5,-0.2 -0.987 10.5-167.2-156.8 162.8 46.8 37.0 5.4 30 31 A E E > -C 33 0C 116 3,-2.7 3,-2.9 -2,-0.3 2,-0.5 -0.847 64.0 -48.3-161.7 119.7 44.0 35.5 3.4 31 32 A N B 3 S-F 56 0D 33 25,-2.7 25,-2.4 -2,-0.3 373,-0.1 -0.382 129.1 -12.2 54.2-104.2 41.5 32.9 4.5 32 33 A C T 3 S+ 0 0 0 -2,-0.5 12,-3.2 23,-0.2 2,-0.4 0.389 118.8 94.3-105.7 3.8 43.8 30.2 6.1 33 34 A R E < -CD 30 43C 53 -3,-2.9 -3,-2.7 10,-0.2 2,-0.4 -0.793 47.4-177.7-101.4 137.6 47.1 31.6 4.9 34 35 A V E -CD 29 42C 1 8,-2.0 8,-2.9 -2,-0.4 2,-0.4 -0.998 9.0-160.1-132.9 135.9 49.4 33.9 6.7 35 36 A W E -CD 28 41C 27 -7,-2.8 -8,-3.9 -2,-0.4 -7,-1.4 -0.946 13.6-143.8-112.6 133.8 52.7 35.4 5.5 36 37 A D E > -C 26 0C 2 4,-2.3 3,-1.6 -2,-0.4 -10,-0.3 -0.280 37.9 -88.2 -85.9-177.7 55.2 36.8 7.9 37 38 A V T 3 S+ 0 0 28 -12,-2.0 -11,-0.1 1,-0.3 -1,-0.1 0.603 127.4 54.7 -65.4 -15.4 57.5 39.8 7.4 38 39 A E T 3 S- 0 0 112 -13,-0.2 -1,-0.3 2,-0.1 -12,-0.1 0.436 120.7-106.3 -96.8 -4.5 60.1 37.7 5.7 39 40 A G < + 0 0 50 -3,-1.6 2,-0.1 1,-0.3 -2,-0.1 0.348 69.6 145.2 97.6 -5.2 57.6 36.3 3.2 40 41 A R - 0 0 95 -5,-0.1 -4,-2.3 1,-0.1 2,-0.3 -0.451 41.5-137.8 -70.2 139.8 57.3 32.8 4.6 41 42 A E E -D 35 0C 88 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.773 20.3-171.4-100.0 143.0 53.8 31.4 4.2 42 43 A Y E -D 34 0C 6 -8,-2.9 -8,-2.0 -2,-0.3 2,-0.6 -0.933 26.0-124.8-131.4 155.2 52.0 29.5 7.0 43 44 A L E -De 33 384C 3 340,-3.2 342,-2.6 -2,-0.3 2,-1.0 -0.871 32.2-137.7 -96.6 123.7 48.8 27.4 7.3 44 45 A D E + e 0 385C 3 -12,-3.2 342,-0.1 -2,-0.6 340,-0.1 -0.711 37.5 159.6 -93.2 100.8 46.8 28.9 10.2 45 46 A F S S+ 0 0 0 340,-1.7 354,-3.0 -2,-1.0 355,-0.4 0.248 73.6 62.5 -98.6 11.4 45.2 26.3 12.5 46 47 A A S >> S- 0 0 1 353,-0.2 4,-1.8 352,-0.2 3,-1.1 0.649 84.8-152.2-105.5 -23.7 44.8 28.8 15.4 47 48 A G H 3>> - 0 0 0 1,-0.3 5,-1.8 2,-0.2 4,-1.5 0.828 68.4 -59.0 55.0 38.6 42.4 31.1 13.6 48 49 A G H 345S- 0 0 1 1,-0.2 -1,-0.3 3,-0.2 453,-0.1 0.840 109.2 -48.3 61.5 29.7 43.5 34.2 15.5 49 50 A Q H <45S- 0 0 40 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.960 112.1 -43.9 71.4 56.0 42.4 32.2 18.6 50 51 A A H <5S+ 0 0 1 -4,-1.8 218,-0.8 349,-0.3 3,-0.3 0.593 116.7 109.9 68.0 14.9 38.9 31.1 17.4 51 52 A V T <5 + 0 0 0 -4,-1.5 221,-0.3 -5,-0.2 3,-0.3 0.624 65.4 60.9 -92.6 -15.7 38.2 34.5 16.0 52 53 A L > < + 0 0 0 -5,-1.8 3,-3.2 347,-0.3 -1,-0.2 -0.206 47.9 140.8-112.6 46.4 38.4 33.6 12.3 53 54 A N T 3 S+ 0 0 0 -3,-0.3 349,-1.7 1,-0.3 350,-0.7 0.787 85.8 44.2 -56.4 -25.8 35.8 31.1 11.5 54 55 A T T 3 S- 0 0 2 -3,-0.3 -1,-0.3 1,-0.3 7,-0.1 0.268 121.6-115.6-100.0 11.4 35.1 32.9 8.2 55 56 A G X - 0 0 0 -3,-3.2 3,-0.8 3,-0.1 2,-0.3 0.065 47.0 -39.4 80.9 168.1 38.9 33.1 7.6 56 57 A H B 3 S-F 31 0D 2 -25,-2.4 -25,-2.7 1,-0.3 -23,-0.1 -0.526 123.2 -12.4 -67.7 130.5 41.3 36.1 7.4 57 58 A L T 3 S- 0 0 23 214,-0.3 -1,-0.3 -2,-0.3 215,-0.1 0.883 77.8-153.0 44.2 56.5 39.7 39.0 5.5 58 59 A H <> - 0 0 15 -3,-0.8 4,-2.7 213,-0.3 5,-0.3 -0.402 18.7-127.3 -55.7 129.3 36.7 37.1 4.0 59 60 A P H > S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.801 106.7 49.3 -50.5 -38.1 35.9 39.1 0.8 60 61 A K H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.889 112.3 48.1 -71.3 -40.2 32.3 39.7 1.7 61 62 A V H > S+ 0 0 1 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.942 113.3 47.0 -63.9 -47.5 33.2 40.9 5.2 62 63 A V H X S+ 0 0 12 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.905 110.1 53.3 -62.3 -42.7 35.9 43.3 3.9 63 64 A A H X S+ 0 0 48 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.923 111.0 46.2 -59.7 -43.9 33.6 44.7 1.2 64 65 A A H X S+ 0 0 21 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 114.4 48.9 -64.8 -43.0 30.9 45.5 3.8 65 66 A V H X S+ 0 0 2 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.931 109.7 50.9 -61.9 -45.5 33.5 47.0 6.1 66 67 A E H < S+ 0 0 51 -4,-3.5 4,-0.3 1,-0.2 -1,-0.2 0.886 110.1 50.5 -61.2 -38.3 35.0 49.1 3.2 67 68 A A H >< S+ 0 0 52 -4,-2.1 3,-2.1 -5,-0.2 4,-0.4 0.945 108.8 51.0 -63.9 -47.2 31.5 50.4 2.4 68 69 A Q H >X S+ 0 0 13 -4,-2.4 4,-1.6 1,-0.3 3,-1.5 0.800 98.1 67.6 -60.8 -29.7 30.8 51.4 6.1 69 70 A L T 3< S+ 0 0 3 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.626 93.4 60.2 -65.2 -13.4 34.1 53.2 6.1 70 71 A K T <4 S+ 0 0 145 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.674 112.7 37.0 -86.2 -17.1 32.5 55.7 3.7 71 72 A K T <4 S- 0 0 85 -3,-1.5 384,-3.1 -4,-0.4 2,-0.3 0.905 123.1 -48.3 -98.5 -67.1 29.8 56.6 6.2 72 73 A L < - 0 0 0 -4,-1.6 -1,-0.3 382,-0.2 -2,-0.1 -0.945 28.5-157.1-168.2 157.2 31.1 56.7 9.8 73 74 A S S S+ 0 0 0 1,-0.3 229,-0.6 -2,-0.3 2,-0.3 0.608 77.9 11.2-114.8 -21.0 33.3 54.5 12.1 74 75 A H + 0 0 0 226,-0.1 -1,-0.3 227,-0.1 409,-0.1 -0.971 40.2 147.8-161.7 140.8 32.1 55.8 15.6 75 76 A T - 0 0 2 -2,-0.3 399,-0.2 221,-0.2 5,-0.2 0.400 66.2-107.8-139.4 -19.1 29.5 57.9 17.3 76 77 A C >> - 0 0 0 3,-0.1 3,-2.4 222,-0.1 4,-2.2 0.813 26.6-129.4 75.5 100.9 29.2 55.9 20.7 77 78 A F T 34 S+ 0 0 0 221,-0.5 219,-0.1 1,-0.3 220,-0.1 0.807 105.2 58.7 -47.2 -43.9 25.9 54.2 20.5 78 79 A Q T 34 S+ 0 0 21 217,-0.3 369,-2.5 1,-0.2 -1,-0.3 0.631 113.8 39.7 -64.4 -17.9 24.7 55.5 23.9 79 80 A V T <4 S+ 0 0 3 -3,-2.4 369,-2.0 1,-0.4 2,-0.4 0.880 138.2 0.0 -94.2 -58.0 25.2 59.0 22.7 80 81 A L E < S-g 448 0E 4 -4,-2.2 -1,-0.4 -5,-0.2 371,-0.2 -0.993 81.3-138.6-133.7 122.2 23.9 58.8 19.1 81 82 A A E -g 451 0E 0 369,-1.5 371,-2.8 367,-0.6 2,-0.3 -0.101 13.9-162.3 -77.4 175.8 22.6 55.5 17.8 82 83 A Y >> - 0 0 2 369,-0.3 4,-1.1 1,-0.1 3,-0.5 -0.967 26.6-116.7-157.2 150.5 23.1 53.8 14.4 83 84 A E H 3> S+ 0 0 64 369,-0.5 4,-3.2 -2,-0.3 5,-0.3 0.800 102.4 65.1 -64.3 -37.1 21.4 51.0 12.6 84 85 A P H 3> S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.888 103.9 50.5 -57.5 -35.7 24.1 48.3 12.3 85 86 A Y H <> S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.966 113.6 45.1 -61.8 -53.7 24.1 48.0 16.1 86 87 A L H X S+ 0 0 0 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.946 111.1 52.3 -55.8 -51.7 20.2 47.6 16.1 87 88 A E H X S+ 0 0 63 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.911 110.0 47.7 -54.8 -46.1 20.1 45.2 13.2 88 89 A L H X S+ 0 0 0 -4,-1.9 4,-3.2 -5,-0.3 5,-0.2 0.921 111.0 52.0 -63.3 -42.6 22.6 42.8 14.8 89 90 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.941 109.5 49.7 -57.1 -48.0 20.8 42.9 18.1 90 91 A E H X S+ 0 0 54 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.909 113.6 45.6 -57.1 -46.3 17.5 42.0 16.3 91 92 A I H >X S+ 0 0 49 -4,-2.4 4,-2.7 -5,-0.2 3,-0.5 0.891 112.1 50.6 -67.4 -39.1 19.2 39.1 14.5 92 93 A M H 3X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.894 102.0 61.3 -67.2 -35.7 21.0 37.8 17.7 93 94 A N H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.834 114.4 36.7 -57.0 -31.4 17.7 37.9 19.6 94 95 A Q H << S+ 0 0 165 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.876 117.1 48.9 -87.5 -42.9 16.4 35.3 17.0 95 96 A K H < S+ 0 0 90 -4,-2.7 156,-0.2 2,-0.1 -2,-0.2 0.778 91.3 87.1 -69.1 -33.0 19.6 33.3 16.5 96 97 A V S < S- 0 0 3 -4,-2.5 163,-0.0 -5,-0.2 184,-0.0 -0.532 92.3-102.0 -72.1 132.9 20.4 32.7 20.2 97 98 A P S S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.151 76.7 96.3 -54.8 146.5 18.6 29.6 21.6 98 99 A G - 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