==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUN-12 4AZJ . COMPND 2 MOLECULE: PHOSPHOSERINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ALCALOPHILUS; . AUTHOR P.BATTULA,A.P.DUBNOVITSKY,A.C.PAPAGEORGIOU . 720 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.3 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 . 43 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 2 0 0 2 0 1 0 5 0 0 1 3 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 0 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 PARALLEL BRIDGES PER LADDER . 4 4 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 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 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 1 A V 0 0 177 0, 0.0 2,-0.4 0, 0.0 390,-0.1 0.000 360.0 360.0 360.0 140.0 17.3 52.7 70.7 2 2 A K - 0 0 109 1,-0.1 318,-0.1 318,-0.0 317,-0.1 -0.872 360.0-115.4-107.3 142.4 17.5 51.0 67.3 3 3 A Q - 0 0 133 -2,-0.4 2,-0.5 316,-0.3 -1,-0.1 -0.172 34.7-123.5 -55.2 162.2 15.2 48.2 66.1 4 4 A V + 0 0 48 388,-0.1 2,-0.5 2,-0.0 317,-0.2 -0.982 30.6 174.5-122.1 125.5 17.1 45.0 65.4 5 5 A F E -a 321 0A 20 315,-2.1 317,-3.0 -2,-0.5 2,-1.1 -0.952 22.4-156.3-123.2 102.8 17.0 43.2 62.1 6 6 A N E +a 322 0A 9 -2,-0.5 7,-0.4 315,-0.2 317,-0.1 -0.706 30.9 156.6 -95.7 96.5 19.5 40.3 62.6 7 7 A F + 0 0 0 315,-2.5 329,-1.2 -2,-1.1 -1,-0.1 0.039 23.4 153.5-102.7 26.1 20.8 39.1 59.3 8 8 A N - 0 0 7 389,-0.2 5,-0.4 1,-0.1 315,-0.1 -0.255 44.0-139.7 -60.3 142.4 24.0 37.6 60.9 9 9 A A S S+ 0 0 11 1,-0.2 3,-0.2 712,-0.2 -1,-0.1 0.453 76.6 1.8 -85.8 -5.9 25.5 34.7 58.9 10 10 A G S S+ 0 0 1 1,-2.1 390,-0.4 387,-0.1 -1,-0.2 0.027 124.2 40.8 130.3 120.6 26.4 32.6 61.9 11 11 A P S S+ 0 0 0 0, 0.0 -1,-2.1 0, 0.0 2,-0.2 0.697 98.5 164.9 -51.5 168.8 26.1 32.7 64.8 12 12 A S - 0 0 3 384,-0.4 -3,-0.1 187,-0.3 -5,-0.1 -0.740 33.9 -38.5-152.9-179.7 22.7 34.1 64.0 13 13 A A - 0 0 10 -7,-0.4 327,-0.3 -5,-0.4 328,-0.2 -0.306 51.3-155.2 -56.9 139.3 19.2 34.9 65.1 14 14 A L - 0 0 12 326,-0.1 2,-0.2 325,-0.1 380,-0.1 -0.810 29.1 -93.2-112.2 157.6 17.6 32.5 67.5 15 15 A P >> - 0 0 5 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.512 31.4-133.6 -67.2 133.0 13.9 31.9 68.1 16 16 A K H 3> S+ 0 0 106 1,-0.2 4,-2.9 -2,-0.2 5,-0.3 0.888 104.0 57.1 -58.2 -38.9 12.7 34.2 70.9 17 17 A P H 3> S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.881 105.9 50.1 -60.7 -35.4 10.8 31.3 72.6 18 18 A A H <> S+ 0 0 2 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.884 114.3 44.6 -67.6 -40.1 14.0 29.2 72.8 19 19 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.902 113.1 49.8 -69.7 -43.5 15.9 32.1 74.3 20 20 A E H X S+ 0 0 83 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.890 110.2 50.8 -62.5 -39.3 13.2 32.9 76.8 21 21 A R H X S+ 0 0 87 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.929 111.4 48.7 -63.0 -44.2 12.9 29.3 77.8 22 22 A A H < S+ 0 0 0 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.920 111.7 49.6 -61.5 -43.6 16.6 29.2 78.4 23 23 A Q H >< S+ 0 0 49 -4,-2.7 3,-1.2 1,-0.2 4,-0.3 0.935 107.4 53.5 -61.4 -47.1 16.6 32.4 80.4 24 24 A K H 3< S+ 0 0 185 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.859 120.5 30.7 -60.1 -36.3 13.7 31.3 82.7 25 25 A E T 3< S+ 0 0 45 -4,-1.6 3,-0.3 1,-0.2 11,-0.3 0.222 82.4 114.6-110.9 16.8 15.4 28.1 83.7 26 26 A L S < S+ 0 0 3 -3,-1.2 11,-0.3 -4,-0.4 3,-0.2 0.793 87.7 34.3 -59.4 -30.1 19.0 29.2 83.5 27 27 A L S S+ 0 0 58 -4,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.643 129.9 30.7 -97.4 -19.8 19.5 28.8 87.3 28 28 A N S S- 0 0 56 -3,-0.3 2,-0.5 -4,-0.1 3,-0.5 -0.747 71.1-169.9-146.9 90.9 17.2 25.9 87.9 29 29 A F S > S- 0 0 10 5,-3.1 3,-2.3 -2,-0.3 5,-0.4 -0.728 71.8 -19.6 -89.0 124.8 16.8 23.4 85.2 30 30 A N T 3 S- 0 0 89 -2,-0.5 -1,-0.2 1,-0.3 5,-0.0 0.814 119.2 -61.9 54.1 39.5 14.0 20.8 85.5 31 31 A D T 3 S+ 0 0 132 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.626 108.5 119.7 62.3 18.4 13.8 21.2 89.3 32 32 A T S < S- 0 0 21 -3,-2.3 -2,-0.1 2,-0.3 -1,-0.1 0.621 75.7-129.5 -81.7 -12.5 17.4 20.1 89.8 33 33 A Q S S+ 0 0 97 1,-0.3 2,-0.3 -4,-0.1 -5,-0.1 0.651 79.2 95.6 63.1 21.1 18.3 23.4 91.4 34 34 A M S S- 0 0 10 -5,-0.4 -5,-3.1 338,-0.0 -2,-0.3 -0.964 81.1-109.1-129.8 151.6 21.3 23.5 89.0 35 35 A S > - 0 0 0 -2,-0.3 3,-2.1 -7,-0.2 4,-0.4 -0.418 32.3-114.9 -64.5 154.1 21.7 25.2 85.7 36 36 A V G > S+ 0 0 3 -11,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.866 121.6 62.2 -57.1 -29.3 21.9 22.9 82.7 37 37 A M G 3 S+ 0 0 0 -11,-0.3 334,-0.4 1,-0.2 -1,-0.3 0.512 100.8 52.1 -68.9 -13.5 25.5 24.3 82.6 38 38 A E G < S+ 0 0 21 -3,-2.1 -1,-0.2 332,-0.2 2,-0.2 0.372 87.4 104.2-107.1 -3.6 26.2 22.8 86.0 39 39 A L S < S- 0 0 3 -3,-1.2 2,-0.2 -4,-0.4 202,-0.1 -0.573 73.9-114.5 -80.4 145.9 25.1 19.2 85.3 40 40 A S > - 0 0 18 -2,-0.2 3,-1.6 1,-0.1 6,-0.5 -0.545 14.3-134.6 -70.8 138.9 27.5 16.3 84.8 41 41 A H T 3 S+ 0 0 0 328,-0.3 -1,-0.1 1,-0.3 9,-0.1 0.604 108.6 61.7 -64.9 -10.6 27.4 14.8 81.3 42 42 A R T 3 S+ 0 0 72 4,-0.1 2,-0.3 5,-0.0 -1,-0.3 0.276 88.1 100.6 -95.8 6.4 27.3 11.5 83.2 43 43 A S S <> S- 0 0 28 -3,-1.6 4,-2.7 1,-0.1 5,-0.2 -0.648 78.3-128.4 -93.7 150.5 24.0 12.4 84.8 44 44 A Q H > S+ 0 0 134 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.880 109.1 61.5 -55.8 -39.7 20.6 11.2 83.9 45 45 A S H > S+ 0 0 31 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.908 111.3 37.3 -59.9 -43.8 19.4 14.8 83.9 46 46 A Y H > S+ 0 0 0 -6,-0.5 4,-2.6 2,-0.2 3,-0.5 0.915 111.5 58.7 -72.1 -44.2 21.9 15.7 81.1 47 47 A E H X S+ 0 0 85 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.850 102.2 56.3 -53.2 -37.4 21.4 12.4 79.2 48 48 A E H X S+ 0 0 84 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.899 109.1 44.8 -62.4 -42.3 17.7 13.2 78.9 49 49 A V H X S+ 0 0 3 -4,-0.9 4,-2.4 -3,-0.5 -2,-0.2 0.913 112.6 51.8 -67.1 -45.2 18.4 16.5 77.2 50 50 A H H X S+ 0 0 3 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.932 114.4 42.9 -55.1 -49.1 21.1 14.9 74.9 51 51 A E H X S+ 0 0 108 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.908 111.1 54.8 -69.1 -38.6 18.7 12.2 73.8 52 52 A Q H X S+ 0 0 66 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.906 105.8 52.3 -62.2 -42.7 15.8 14.6 73.4 53 53 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.934 112.6 45.8 -58.8 -43.6 17.8 16.7 71.1 54 54 A Q H X S+ 0 0 17 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.938 112.8 49.7 -63.4 -47.0 18.6 13.6 69.0 55 55 A N H X S+ 0 0 79 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.867 109.8 51.0 -64.7 -35.7 15.0 12.4 69.0 56 56 A L H X S+ 0 0 7 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.928 111.5 47.3 -66.1 -42.1 13.7 15.9 67.9 57 57 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.2 6,-0.2 0.921 111.7 52.1 -63.7 -41.3 16.1 16.0 65.0 58 58 A R H X>S+ 0 0 56 -4,-2.5 5,-1.8 1,-0.2 4,-0.8 0.916 113.4 42.5 -60.5 -48.1 15.1 12.5 64.1 59 59 A E H <5S+ 0 0 105 -4,-2.3 3,-0.3 3,-0.2 -2,-0.2 0.934 116.1 48.4 -63.9 -46.9 11.4 13.3 64.1 60 60 A L H <5S+ 0 0 17 -4,-2.9 200,-0.5 1,-0.2 -2,-0.2 0.854 122.6 31.1 -70.0 -37.1 11.8 16.6 62.3 61 61 A L H <5S- 0 0 3 -4,-2.5 123,-0.4 -5,-0.2 121,-0.3 0.445 104.2-124.4 -96.7 -3.4 14.1 15.4 59.5 62 62 A Q T <5 - 0 0 156 -4,-0.8 122,-0.2 -3,-0.3 -3,-0.2 0.946 37.7-169.6 55.6 54.5 12.6 11.9 59.4 63 63 A I < - 0 0 7 -5,-1.8 -1,-0.2 -6,-0.2 6,-0.1 -0.599 19.7-120.4 -78.6 125.4 16.0 10.3 59.9 64 64 A P > - 0 0 40 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.218 22.4-109.5 -66.2 160.0 15.9 6.5 59.3 65 65 A N T 3 S+ 0 0 138 1,-0.3 -2,-0.1 144,-0.0 -7,-0.0 0.683 112.9 65.7 -64.6 -20.2 16.9 4.2 62.1 66 66 A D T 3 S+ 0 0 73 143,-0.0 144,-2.0 144,-0.0 145,-0.4 0.392 91.4 81.2 -89.8 9.2 20.1 3.1 60.5 67 67 A Y E < -B 209 0B 5 -3,-1.9 2,-0.3 142,-0.3 142,-0.2 -0.879 67.0-153.3-105.8 145.0 21.5 6.6 60.9 68 68 A Q E -B 208 0B 30 140,-2.7 140,-2.7 -2,-0.4 2,-0.6 -0.887 10.7-134.7-115.6 147.2 22.9 8.0 64.1 69 69 A I E -B 207 0B 1 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.926 23.5-167.4-102.6 118.0 23.0 11.7 65.2 70 70 A L E -B 206 0B 0 136,-3.3 136,-2.4 -2,-0.6 2,-0.5 -0.817 13.9-154.1-104.7 147.9 26.4 12.8 66.6 71 71 A F E +B 205 0B 5 -2,-0.3 2,-0.2 134,-0.2 134,-0.2 -0.961 29.5 168.7-120.4 110.5 27.1 16.0 68.5 72 72 A L E -B 204 0B 10 132,-2.9 132,-2.8 -2,-0.5 2,-0.2 -0.706 28.4-126.5-120.1 163.3 30.7 17.0 68.1 73 73 A Q S S+ 0 0 15 -2,-0.2 130,-0.1 130,-0.2 359,-0.0 -0.675 74.9 64.4-100.4 166.5 32.9 20.0 68.8 74 74 A G S > S- 0 0 1 -2,-0.2 4,-1.0 128,-0.1 -1,-0.1 0.324 91.8-107.8 108.7 -6.3 35.2 21.8 66.3 75 75 A G H >> - 0 0 5 -3,-0.2 4,-1.1 2,-0.2 3,-0.7 0.032 50.5 -60.5 77.9 173.4 32.8 23.3 63.9 76 76 A A H 3> S+ 0 0 12 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.865 132.1 69.7 -57.5 -32.0 32.1 22.3 60.3 77 77 A S H 3> S+ 0 0 12 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.875 95.3 50.7 -57.0 -38.9 35.8 23.2 59.8 78 78 A L H XX S+ 0 0 11 -4,-1.0 4,-2.7 -3,-0.7 3,-1.0 0.863 104.1 59.2 -69.0 -32.0 37.0 20.2 61.8 79 79 A Q H 3X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.811 91.1 69.9 -63.1 -28.2 34.7 18.0 59.8 80 80 A F H 3< S+ 0 0 8 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.851 114.0 27.5 -57.0 -35.9 36.6 19.1 56.7 81 81 A T H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 3,-0.8 0.982 112.2 37.7 -59.0 -56.9 35.9 13.1 57.0 84 84 A P H 3> S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.869 111.3 61.3 -66.9 -31.9 38.9 12.3 54.8 85 85 A M H 3< S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.847 114.7 35.2 -56.4 -35.5 40.8 11.1 57.9 86 86 A N H << S+ 0 0 7 -4,-1.6 -1,-0.2 -3,-0.8 -3,-0.1 0.820 134.0 19.6 -88.3 -35.6 38.1 8.5 58.3 87 87 A L H < S+ 0 0 27 -4,-2.5 2,-1.5 -5,-0.2 -2,-0.2 0.664 95.8 89.7-113.0 -20.5 37.2 7.6 54.7 88 88 A L < + 0 0 14 -4,-2.0 2,-0.1 -5,-0.4 -1,-0.1 -0.645 59.7 169.8 -88.8 91.4 40.0 8.6 52.4 89 89 A T > - 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