==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JAN-05 2BI9 . COMPND 2 MOLECULE: PHOSPHOSERINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ALCALOPHILUS; . AUTHOR A.P.DUBNOVITSKY,R.B.G.RAVELLI,A.N.POPOV,A.C.PAPAGEORGIOU . 716 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 8.0 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 . 84 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.1 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 0 1 1 0 2 0 1 0 5 0 0 4 0 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 3 1 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 0 134 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-151.5 34.8 17.7 -19.9 2 2 A K - 0 0 125 1,-0.1 2,-0.2 0, 0.0 317,-0.0 -0.038 360.0 -80.6 -68.0 172.0 38.3 19.1 -20.5 3 3 A Q - 0 0 96 316,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.505 39.2-166.3 -80.3 147.6 41.3 17.9 -18.4 4 4 A V - 0 0 34 -2,-0.2 2,-0.6 -3,-0.1 317,-0.2 -0.994 1.6-166.9-126.6 130.0 42.0 19.1 -14.9 5 5 A F E -a 321 0A 27 315,-3.1 317,-3.2 -2,-0.4 2,-1.1 -0.953 12.4-150.2-120.1 117.6 45.3 18.5 -13.2 6 6 A N E +a 322 0A 16 -2,-0.6 7,-0.4 315,-0.2 317,-0.1 -0.698 34.0 153.1 -98.6 94.3 45.3 19.2 -9.5 7 7 A F + 0 0 0 315,-2.6 329,-1.0 -2,-1.1 -1,-0.1 -0.046 24.0 155.6-100.8 28.4 48.6 20.3 -8.2 8 8 A N - 0 0 7 390,-0.2 5,-0.3 1,-0.1 315,-0.1 -0.287 39.1-143.8 -60.6 145.2 47.2 22.3 -5.3 9 9 A A S S+ 0 0 15 1,-0.2 3,-0.2 314,-0.1 -1,-0.1 0.517 75.6 14.2 -90.2 -5.3 49.5 22.7 -2.4 10 10 A G S S+ 0 0 6 1,-1.7 391,-0.7 388,-0.1 -1,-0.2 -0.174 126.6 29.7 151.2 109.6 47.1 22.5 0.6 11 11 A P S S+ 0 0 0 0, 0.0 -1,-1.7 0, 0.0 2,-0.2 0.710 99.4 170.9 -57.9 168.2 44.2 21.5 0.6 12 12 A S - 0 0 2 187,-0.4 -3,-0.1 183,-0.4 -5,-0.1 -0.765 32.0 -42.0-148.0-179.5 45.0 19.2 -2.2 13 13 A A - 0 0 12 -7,-0.4 327,-0.3 -5,-0.3 328,-0.2 -0.204 50.7-154.1 -54.0 140.7 43.9 16.3 -4.4 14 14 A L - 0 0 10 326,-0.1 2,-0.4 325,-0.1 381,-0.1 -0.820 30.7 -93.9-110.9 160.4 42.1 13.5 -2.6 15 15 A P >> - 0 0 8 0, 0.0 4,-1.4 0, 0.0 3,-1.4 -0.611 35.7-130.0 -72.2 128.2 42.0 9.9 -3.7 16 16 A K H 3> S+ 0 0 88 -2,-0.4 4,-3.0 1,-0.3 5,-0.3 0.843 103.2 58.8 -44.2 -49.1 38.8 9.5 -5.8 17 17 A P H 3> S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.860 103.0 53.4 -58.4 -31.7 37.6 6.4 -3.9 18 18 A A H <> S+ 0 0 2 -3,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.920 114.5 42.2 -67.3 -38.8 37.6 8.3 -0.6 19 19 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.878 114.0 50.0 -72.8 -36.3 35.4 10.9 -2.2 20 20 A E H X S+ 0 0 101 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.914 111.2 50.6 -69.6 -38.3 33.2 8.5 -4.0 21 21 A R H X S+ 0 0 90 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.959 111.7 46.9 -63.4 -50.2 32.7 6.6 -0.8 22 22 A A H < S+ 0 0 0 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.912 112.4 51.1 -57.3 -40.5 31.8 9.8 1.1 23 23 A Q H >< S+ 0 0 51 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.912 106.7 52.8 -64.7 -43.7 29.4 10.8 -1.7 24 24 A K H 3< S+ 0 0 170 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.886 120.4 31.6 -63.9 -37.2 27.5 7.5 -1.8 25 25 A E T 3< S+ 0 0 41 -4,-1.7 11,-0.3 -5,-0.2 -1,-0.2 0.185 83.5 114.8-106.2 23.5 26.8 7.5 2.0 26 26 A L S < S+ 0 0 3 -3,-1.1 11,-0.3 1,-0.2 3,-0.2 0.820 87.2 32.5 -65.9 -31.6 26.5 11.2 2.5 27 27 A L S S+ 0 0 50 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.2 0.706 130.0 31.4 -96.8 -22.5 22.9 11.1 3.5 28 28 A N S S- 0 0 59 -4,-0.2 3,-0.5 5,-0.1 2,-0.5 -0.796 71.4-173.6-143.3 93.4 22.8 7.7 5.1 29 29 A F S > S- 0 0 9 5,-3.2 3,-2.1 -2,-0.4 5,-0.4 -0.771 71.7 -12.1 -95.2 128.1 25.9 6.5 6.9 30 30 A N T 3 S- 0 0 76 -2,-0.5 -1,-0.2 1,-0.3 5,-0.0 0.840 121.3 -66.9 54.0 38.7 26.1 3.0 8.3 31 31 A D T 3 S+ 0 0 129 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.595 107.8 121.1 59.9 17.5 22.4 2.5 7.8 32 32 A T S < S- 0 0 26 -3,-2.1 -2,-0.1 2,-0.3 -1,-0.1 0.607 77.0-126.8 -80.7 -10.7 21.5 5.1 10.4 33 33 A Q S S+ 0 0 78 1,-0.3 2,-0.3 -4,-0.1 -5,-0.1 0.653 80.1 100.2 66.4 17.5 19.6 7.2 7.9 34 34 A M S S- 0 0 12 -5,-0.4 -5,-3.2 339,-0.0 -2,-0.3 -0.949 79.7-110.2-126.5 151.5 21.8 10.2 9.0 35 35 A S > - 0 0 0 -2,-0.3 3,-2.1 -7,-0.2 4,-0.3 -0.379 31.7-116.9 -65.8 152.5 24.8 11.8 7.5 36 36 A V G > S+ 0 0 4 -11,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.865 120.3 61.9 -63.3 -26.8 28.0 11.2 9.5 37 37 A M G 3 S+ 0 0 1 -11,-0.3 335,-0.3 1,-0.2 524,-0.3 0.596 100.8 52.2 -66.3 -12.7 27.9 15.0 9.9 38 38 A E G < S+ 0 0 18 -3,-2.1 -1,-0.2 333,-0.1 2,-0.2 0.330 90.9 101.3-107.6 3.2 24.5 14.7 11.7 39 39 A L S < S- 0 0 4 -3,-1.1 2,-0.2 -4,-0.3 202,-0.1 -0.547 77.2-108.9 -91.5 155.6 25.6 12.1 14.3 40 40 A S > - 0 0 25 -2,-0.2 3,-1.3 1,-0.1 6,-0.4 -0.530 23.2-131.7 -70.7 141.2 26.6 12.6 17.9 41 41 A H T 3 S+ 0 0 20 329,-0.4 -1,-0.1 1,-0.2 9,-0.1 0.555 110.7 59.1 -75.3 -1.8 30.3 12.1 18.4 42 42 A R T 3 S+ 0 0 128 4,-0.1 -1,-0.2 5,-0.0 2,-0.1 0.383 83.7 108.7 -98.1 -5.7 29.3 9.8 21.3 43 43 A S S <> S- 0 0 31 -3,-1.3 4,-2.6 1,-0.1 5,-0.2 -0.351 79.1-123.8 -68.5 151.8 27.3 7.6 19.0 44 44 A Q H > S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.874 111.4 58.2 -68.0 -30.4 28.7 4.2 18.3 45 45 A S H > S+ 0 0 14 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.945 111.7 39.8 -65.3 -43.9 28.7 4.9 14.6 46 46 A Y H > S+ 0 0 1 -6,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.875 112.4 55.5 -68.7 -41.8 31.0 8.0 15.1 47 47 A E H X S+ 0 0 69 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.897 104.2 55.0 -61.9 -36.6 33.1 6.3 17.7 48 48 A E H X S+ 0 0 77 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.910 110.2 45.8 -55.7 -46.8 33.8 3.4 15.3 49 49 A V H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.933 113.1 49.6 -63.2 -44.9 35.1 5.9 12.7 50 50 A H H X S+ 0 0 1 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.937 115.0 43.4 -63.3 -48.2 37.2 7.8 15.2 51 51 A E H X S+ 0 0 85 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.914 112.5 53.2 -64.8 -43.2 38.8 4.6 16.5 52 52 A Q H X S+ 0 0 70 -4,-2.7 4,-2.8 -5,-0.3 5,-0.3 0.916 105.6 53.2 -62.5 -40.0 39.3 3.2 13.0 53 53 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.941 112.2 46.3 -60.5 -41.5 41.1 6.4 11.9 54 54 A Q H X S+ 0 0 12 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.945 113.3 48.4 -61.6 -47.8 43.5 5.9 14.8 55 55 A N H X S+ 0 0 74 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.855 109.6 51.7 -66.4 -37.4 44.0 2.2 14.2 56 56 A L H X S+ 0 0 10 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.943 111.4 47.6 -62.5 -46.3 44.7 2.7 10.5 57 57 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 6,-0.3 0.936 111.6 51.2 -57.3 -47.4 47.3 5.3 11.4 58 58 A R H X>S+ 0 0 57 -4,-2.4 5,-1.9 1,-0.2 4,-0.8 0.926 115.5 41.1 -54.4 -49.7 48.9 3.1 14.0 59 59 A E H <5S+ 0 0 106 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.935 115.5 49.9 -68.5 -43.9 49.1 0.2 11.6 60 60 A L H <5S+ 0 0 11 -4,-2.9 200,-0.4 1,-0.2 -2,-0.2 0.879 124.5 27.2 -68.0 -39.9 50.3 2.2 8.6 61 61 A L H <5S- 0 0 1 -4,-2.6 123,-0.5 -5,-0.2 121,-0.2 0.440 105.9-124.5 -98.3 -0.8 53.1 4.1 10.3 62 62 A Q T <5 - 0 0 135 -4,-0.8 -3,-0.2 -5,-0.2 122,-0.2 0.953 36.4-166.5 52.6 59.4 53.6 1.3 12.9 63 63 A I < - 0 0 6 -5,-1.9 -1,-0.2 -6,-0.3 6,-0.1 -0.644 19.2-115.8 -77.3 130.7 53.1 3.6 15.8 64 64 A P > - 0 0 34 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.210 21.3-113.1 -62.1 153.0 54.2 2.1 19.1 65 65 A N T 3 S+ 0 0 136 1,-0.3 -2,-0.1 3,-0.0 -7,-0.0 0.562 112.7 65.2 -62.3 -14.3 51.7 1.5 21.9 66 66 A D T 3 S+ 0 0 74 2,-0.0 144,-2.2 144,-0.0 145,-0.4 0.340 92.5 79.4 -96.8 11.9 53.3 4.1 24.2 67 67 A Y E < -B 209 0B 8 -3,-1.9 2,-0.3 142,-0.2 142,-0.2 -0.910 67.9-152.9-109.5 145.0 52.2 6.7 21.7 68 68 A Q E -B 208 0B 29 140,-2.5 140,-3.0 -2,-0.4 2,-0.6 -0.882 11.0-133.8-114.5 152.8 48.8 8.2 21.4 69 69 A I E -B 207 0B 0 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.925 22.6-165.8-105.3 120.2 47.1 9.6 18.3 70 70 A L E -B 206 0B 0 136,-3.1 136,-2.4 -2,-0.6 2,-0.5 -0.806 14.3-156.6-105.9 145.6 45.3 12.9 18.7 71 71 A F E +B 205 0B 5 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.968 29.8 171.7-118.3 107.9 42.9 14.6 16.3 72 72 A L E -B 204 0B 10 132,-2.8 132,-2.5 -2,-0.5 3,-0.3 -0.772 28.1-129.0-118.8 159.0 42.9 18.3 17.1 73 73 A Q S S+ 0 0 20 -2,-0.3 130,-0.1 130,-0.2 360,-0.0 -0.621 76.2 66.0 -95.6 166.8 41.4 21.5 15.5 74 74 A G S > S- 0 0 2 -2,-0.2 4,-1.2 522,-0.1 -1,-0.1 0.280 90.9-111.5 113.9 -10.9 43.4 24.6 14.7 75 75 A G H > - 0 0 5 -3,-0.3 4,-1.1 2,-0.2 3,-0.5 0.004 49.0 -60.8 76.8 174.9 45.8 23.4 12.0 76 76 A A H > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.875 132.1 68.3 -62.9 -32.9 49.5 23.0 12.3 77 77 A S H > S+ 0 0 13 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.882 96.7 50.7 -56.1 -39.5 49.7 26.7 13.0 78 78 A L H >X S+ 0 0 12 -4,-1.2 4,-2.7 -3,-0.5 3,-1.0 0.857 104.6 58.6 -67.7 -31.0 48.0 26.2 16.4 79 79 A Q H 3X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.832 91.2 70.6 -66.9 -28.7 50.6 23.5 17.1 80 80 A F H 3< S+ 0 0 6 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.863 113.5 27.1 -54.6 -32.8 53.3 26.1 16.6 81 81 A T H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 3,-0.6 0.979 112.1 37.4 -67.2 -54.5 54.0 22.8 21.6 84 84 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.894 111.6 62.5 -66.4 -30.5 56.0 25.4 23.4 85 85 A M H 3< S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.885 114.7 33.0 -58.7 -30.3 53.0 26.1 25.7 86 86 A N H << S+ 0 0 7 -4,-1.5 -1,-0.2 -3,-0.6 -3,-0.1 0.887 134.6 21.1 -94.2 -33.9 53.2 22.6 27.0 87 87 A L H < S+ 0 0 30 -4,-2.6 2,-1.9 -5,-0.2 -2,-0.2 0.653 95.4 89.3-112.0 -20.0 56.9 21.8 26.9 88 88 A L < + 0 0 14 -4,-1.8 2,-0.1 -5,-0.5 -1,-0.1 -0.569 60.8 171.4 -83.7 83.3 58.8 25.1 26.9 89 89 A T > - 0 0 78 -2,-1.9 3,-2.2 1,-0.1 26,-0.2 -0.472 42.7 -70.8 -93.1 168.2 59.2 25.5 30.6 90 90 A K T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.259 121.1 23.6 -58.6 138.1 61.2 28.1 32.5 91 91 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.282 107.5 102.1 88.8 -5.9 64.9 27.6 32.3 92 92 A T < - 0 0 30 -3,-2.2 23,-0.7 50,-0.0 2,-0.4 -0.631 62.2-132.0-113.4 168.3 64.5 25.6 29.1 93 93 A I E -cd 115 142B 8 48,-2.1 50,-3.5 -2,-0.2 51,-1.0 -0.947 7.4-140.6-125.4 133.1 65.1 26.3 25.4 94 94 A G E -cd 116 144B 0 21,-3.2 23,-2.3 -2,-0.4 2,-0.5 -0.833 29.9-160.2 -89.8 106.5 63.0 25.7 22.3 95 95 A N E -cd 117 145B 0 49,-1.7 51,-3.1 -2,-0.9 2,-0.4 -0.820 9.3-169.6 -98.3 125.3 65.6 24.6 19.8 96 96 A Y E -cd 118 146B 1 21,-2.4 23,-2.2 -2,-0.5 24,-0.8 -0.887 21.7-149.9-118.0 138.0 64.7 24.9 16.1 97 97 A V E -c 120 0B 0 49,-3.0 2,-0.7 -2,-0.4 51,-0.3 -0.931 24.2-147.1-100.6 120.1 66.3 23.7 12.9 98 98 A L E +c 121 0B 7 22,-2.3 24,-1.5 -2,-0.6 25,-0.3 -0.767 39.0 147.3 -92.1 116.4 65.4 26.2 10.2 99 99 A T - 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