==== 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 21-JAN-05 2BIE . 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 . 713 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 67.5 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 . 56 7.9 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 . 39 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 31.4 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 2 0 0 2 0 2 0 4 0 0 2 2 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 3 A Q 0 0 182 0, 0.0 2,-0.4 0, 0.0 389,-0.0 0.000 360.0 360.0 360.0 118.5 41.4 18.2 -18.4 2 4 A V - 0 0 53 388,-0.1 2,-0.5 2,-0.0 317,-0.2 -0.995 360.0-171.1-130.1 129.0 42.2 19.2 -14.8 3 5 A F E -a 319 0A 26 315,-2.5 317,-3.0 -2,-0.4 2,-1.1 -0.960 15.8-148.5-120.8 113.0 45.5 18.4 -13.0 4 6 A N E +a 320 0A 16 -2,-0.5 7,-0.3 315,-0.2 317,-0.1 -0.695 34.5 153.3 -97.6 97.3 45.4 19.2 -9.3 5 7 A F + 0 0 0 315,-2.5 329,-1.0 -2,-1.1 -1,-0.2 -0.032 23.7 155.4-103.4 26.4 48.8 20.3 -8.0 6 8 A N - 0 0 7 389,-0.2 5,-0.4 1,-0.1 315,-0.1 -0.264 39.5-144.1 -60.0 144.5 47.4 22.4 -5.2 7 9 A A S S+ 0 0 16 1,-0.3 3,-0.2 314,-0.2 -1,-0.1 0.542 75.5 15.7 -89.5 -9.2 49.7 22.9 -2.2 8 10 A G S S+ 0 0 6 1,-1.7 390,-0.8 387,-0.1 -1,-0.3 -0.256 126.1 28.5 150.2 117.0 47.2 22.7 0.7 9 11 A P S S+ 0 0 0 0, 0.0 -1,-1.7 0, 0.0 2,-0.2 0.765 99.2 170.2 -52.8 167.5 44.3 21.8 0.8 10 12 A S - 0 0 2 187,-0.4 -3,-0.1 384,-0.4 -5,-0.1 -0.765 31.8 -40.4-147.2-179.9 45.1 19.3 -2.0 11 13 A A - 0 0 11 -5,-0.4 327,-0.4 -7,-0.3 328,-0.1 -0.308 49.2-153.8 -55.6 140.3 44.0 16.4 -4.1 12 14 A L - 0 0 7 326,-0.1 2,-0.3 325,-0.1 380,-0.1 -0.763 32.0 -94.1-108.0 158.2 42.2 13.6 -2.3 13 15 A P >> - 0 0 7 0, 0.0 4,-1.3 0, 0.0 3,-1.2 -0.574 37.0-130.6 -70.9 127.7 42.1 10.0 -3.4 14 16 A K H 3> S+ 0 0 84 -2,-0.3 4,-2.9 1,-0.3 3,-0.3 0.866 102.6 59.7 -52.4 -41.0 39.0 9.7 -5.5 15 17 A P H 3> S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.860 102.3 53.9 -61.8 -28.6 37.7 6.6 -3.7 16 18 A A H <> S+ 0 0 2 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.890 113.8 42.6 -66.5 -38.3 37.7 8.4 -0.3 17 19 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.3 -1,-0.2 0.896 112.9 51.0 -74.1 -41.4 35.5 11.1 -1.9 18 20 A E H X S+ 0 0 98 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.887 110.9 50.1 -62.9 -40.0 33.3 8.7 -3.8 19 21 A R H X S+ 0 0 87 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.927 111.3 48.4 -62.0 -46.0 32.7 6.8 -0.5 20 22 A A H < S+ 0 0 0 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.913 111.5 50.7 -62.7 -41.7 31.9 10.0 1.3 21 23 A Q H >< S+ 0 0 51 -4,-2.7 3,-1.2 1,-0.2 4,-0.3 0.941 107.9 52.0 -58.6 -48.1 29.4 11.0 -1.5 22 24 A K H 3< S+ 0 0 179 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.856 121.2 30.7 -60.1 -39.8 27.6 7.8 -1.5 23 25 A E T 3< S+ 0 0 47 -4,-1.8 11,-0.3 1,-0.2 -1,-0.3 0.183 83.4 114.1-105.3 17.7 26.9 7.8 2.2 24 26 A L S < S+ 0 0 3 -3,-1.2 11,-0.3 -4,-0.4 3,-0.2 0.801 88.6 31.5 -61.0 -31.7 26.7 11.6 2.8 25 27 A L S S+ 0 0 40 -4,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.684 129.2 33.3 -98.2 -20.8 23.0 11.4 3.7 26 28 A N S S- 0 0 54 -4,-0.1 2,-0.5 5,-0.1 3,-0.4 -0.797 71.8-174.5-140.7 90.8 22.8 8.0 5.3 27 29 A F S > S- 0 0 11 5,-3.2 3,-2.0 -2,-0.3 5,-0.4 -0.777 71.0 -13.4 -91.6 126.8 25.9 6.9 7.2 28 30 A N T 3 S- 0 0 70 -2,-0.5 -1,-0.2 1,-0.3 5,-0.0 0.838 121.6 -64.1 55.2 39.8 26.1 3.4 8.7 29 31 A D T 3 S+ 0 0 138 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.639 110.1 119.5 61.8 17.1 22.4 2.8 8.2 30 32 A T S < S- 0 0 28 -3,-2.0 -2,-0.1 2,-0.3 3,-0.1 0.650 75.6-129.4 -82.6 -15.6 21.5 5.6 10.7 31 33 A Q S S+ 0 0 107 1,-0.3 2,-0.3 -4,-0.0 -5,-0.1 0.599 79.1 97.3 67.8 17.2 19.7 7.7 8.1 32 34 A M S S- 0 0 10 -5,-0.4 -5,-3.2 338,-0.0 -1,-0.3 -0.943 80.5-108.7-126.5 153.7 21.8 10.7 9.2 33 35 A S > - 0 0 0 -2,-0.3 3,-2.1 -7,-0.2 4,-0.4 -0.461 31.5-114.9 -66.2 153.4 25.0 12.1 7.7 34 36 A V G > S+ 0 0 4 -11,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.842 121.6 61.5 -54.8 -31.3 28.2 11.6 9.7 35 37 A M G 3 S+ 0 0 0 -11,-0.3 334,-0.4 1,-0.2 523,-0.3 0.547 102.2 50.4 -69.8 -13.0 28.0 15.4 10.0 36 38 A E G < S+ 0 0 16 -3,-2.1 -1,-0.2 332,-0.2 2,-0.2 0.350 91.9 100.2-107.7 0.9 24.6 15.1 11.9 37 39 A L S < S- 0 0 4 -3,-1.1 2,-0.2 -4,-0.4 202,-0.1 -0.572 77.2-107.1 -89.9 151.7 25.7 12.5 14.4 38 40 A S > - 0 0 23 -2,-0.2 3,-1.6 1,-0.1 6,-0.4 -0.507 22.0-130.5 -64.0 143.4 26.7 13.0 18.0 39 41 A H T 3 S+ 0 0 20 328,-0.4 -1,-0.1 1,-0.3 9,-0.1 0.585 111.6 58.2 -70.3 -7.9 30.4 12.5 18.7 40 42 A R T 3 S+ 0 0 114 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.238 82.8 110.4 -99.9 4.7 29.2 10.2 21.4 41 43 A S S <> S- 0 0 28 -3,-1.6 4,-2.8 1,-0.1 5,-0.2 -0.484 78.2-122.2 -74.3 152.8 27.3 8.0 19.1 42 44 A Q H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 112.3 56.6 -58.7 -38.4 28.6 4.5 18.5 43 45 A S H > S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.925 112.7 38.9 -64.5 -43.9 28.8 5.2 14.7 44 46 A Y H > S+ 0 0 1 -6,-0.4 4,-2.8 2,-0.2 5,-0.3 0.907 112.4 56.3 -70.6 -45.0 31.0 8.2 15.2 45 47 A E H X S+ 0 0 86 -4,-2.8 4,-2.4 1,-0.3 5,-0.2 0.885 105.0 53.9 -55.3 -35.9 33.1 6.6 18.0 46 48 A E H X S+ 0 0 71 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.3 0.896 110.5 45.8 -63.3 -43.4 33.8 3.7 15.6 47 49 A V H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.3 5,-0.2 0.923 112.3 50.6 -63.5 -46.1 35.1 6.2 13.0 48 50 A H H X S+ 0 0 2 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.926 115.2 43.0 -59.3 -46.5 37.2 8.1 15.5 49 51 A E H X S+ 0 0 86 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.908 112.0 52.5 -68.3 -41.1 38.8 4.9 16.8 50 52 A Q H X S+ 0 0 74 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.900 105.4 55.4 -64.7 -37.8 39.4 3.4 13.3 51 53 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.945 111.9 44.3 -58.7 -43.9 41.2 6.6 12.2 52 54 A Q H X S+ 0 0 9 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.950 113.3 49.8 -63.2 -46.9 43.5 6.2 15.1 53 55 A N H X S+ 0 0 75 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.874 110.1 50.7 -65.1 -36.8 44.0 2.5 14.6 54 56 A L H X S+ 0 0 12 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.936 111.5 47.6 -65.4 -44.7 44.7 3.0 10.9 55 57 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 6,-0.2 0.919 111.8 51.5 -59.4 -41.5 47.4 5.6 11.6 56 58 A R H X>S+ 0 0 52 -4,-2.5 5,-1.7 1,-0.2 4,-0.9 0.929 114.9 41.6 -59.6 -48.3 48.8 3.3 14.3 57 59 A E H <5S+ 0 0 104 -4,-2.4 3,-0.2 3,-0.2 -2,-0.2 0.937 116.0 48.6 -66.2 -46.2 49.1 0.4 11.9 58 60 A L H <5S+ 0 0 14 -4,-2.9 200,-0.4 1,-0.2 -2,-0.2 0.861 123.1 30.4 -70.1 -36.3 50.3 2.4 8.9 59 61 A L H <5S- 0 0 3 -4,-2.5 123,-0.5 -5,-0.3 -1,-0.2 0.435 104.5-122.2-100.2 0.1 53.0 4.2 10.7 60 62 A Q T <5 - 0 0 161 -4,-0.9 122,-0.3 -5,-0.2 -3,-0.2 0.968 38.7-168.8 57.2 54.4 53.8 1.5 13.3 61 63 A I < - 0 0 7 -5,-1.7 -1,-0.2 -6,-0.2 4,-0.1 -0.644 19.5-120.1 -77.1 121.0 53.1 3.9 16.1 62 64 A P > - 0 0 38 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.187 19.8-112.5 -63.0 158.8 54.2 2.4 19.5 63 65 A N T 3 S+ 0 0 135 1,-0.3 -2,-0.0 3,-0.0 -7,-0.0 0.596 112.7 65.5 -69.8 -13.3 51.7 1.7 22.3 64 66 A D T 3 S+ 0 0 73 2,-0.0 144,-2.2 144,-0.0 145,-0.5 0.283 92.8 78.0 -91.6 10.5 53.3 4.4 24.5 65 67 A Y E < -B 207 0B 6 -3,-1.8 2,-0.3 142,-0.3 142,-0.2 -0.899 67.6-153.0-110.3 147.1 52.2 7.1 22.0 66 68 A Q E -B 206 0B 30 140,-2.5 140,-2.6 -2,-0.3 2,-0.6 -0.909 11.8-132.6-115.5 150.9 48.7 8.5 21.6 67 69 A I E -B 205 0B 0 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.920 23.0-165.2-102.9 120.3 47.1 10.0 18.5 68 70 A L E -B 204 0B 0 136,-3.5 136,-2.5 -2,-0.6 2,-0.5 -0.844 13.5-155.4-106.1 146.8 45.3 13.2 19.0 69 71 A F E +B 203 0B 4 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.956 29.7 172.6-118.9 103.6 42.9 14.9 16.6 70 72 A L E -B 202 0B 9 132,-2.7 132,-2.7 -2,-0.5 3,-0.3 -0.796 28.4-129.6-115.4 154.0 42.9 18.7 17.3 71 73 A Q S S+ 0 0 17 -2,-0.3 130,-0.1 130,-0.2 359,-0.0 -0.539 76.4 65.2 -86.3 162.6 41.5 21.8 15.7 72 74 A G S > S- 0 0 2 -2,-0.2 4,-0.8 128,-0.1 -1,-0.2 0.249 91.1-109.1 114.1 -10.4 43.6 24.9 14.9 73 75 A G H >> - 0 0 5 -3,-0.3 4,-1.1 2,-0.2 3,-0.6 -0.005 49.0 -63.4 80.7 170.4 46.0 23.7 12.2 74 76 A A H 3> S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.841 132.1 68.8 -57.9 -31.3 49.7 23.2 12.5 75 77 A S H 3> S+ 0 0 13 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.858 95.8 51.0 -61.2 -34.7 49.9 26.9 13.2 76 78 A L H XX S+ 0 0 11 -4,-0.8 4,-2.8 -3,-0.6 3,-1.0 0.873 104.2 59.0 -68.2 -32.1 48.2 26.4 16.5 77 79 A Q H 3X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.824 91.5 69.4 -62.7 -29.1 50.7 23.7 17.3 78 80 A F H 3< S+ 0 0 7 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.852 114.3 27.4 -59.5 -32.7 53.5 26.3 16.8 79 81 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.8 0.983 112.9 36.7 -61.5 -59.1 54.1 23.1 21.8 82 84 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.871 111.1 62.1 -64.0 -29.7 56.1 25.8 23.7 83 85 A M H 3< S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.882 115.3 33.1 -59.7 -33.8 53.1 26.5 25.9 84 86 A N H << S+ 0 0 8 -4,-1.6 -1,-0.2 -3,-0.8 -3,-0.1 0.818 134.9 21.0 -92.4 -32.7 53.3 23.0 27.2 85 87 A L H < S+ 0 0 26 -4,-2.4 2,-1.6 -5,-0.2 -2,-0.2 0.629 94.4 89.9-115.5 -17.8 57.0 22.2 27.1 86 88 A L < + 0 0 16 -4,-1.8 2,-0.1 -5,-0.4 -1,-0.1 -0.638 62.1 173.0 -86.5 86.3 59.0 25.5 27.1 87 89 A T > - 0 0 82 -2,-1.6 3,-2.5 1,-0.2 26,-0.2 -0.382 41.9 -68.7 -90.9 166.0 59.3 25.9 30.8 88 90 A K T 3 S+ 0 0 213 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.290 122.0 20.0 -54.0 130.9 61.3 28.4 32.8 89 91 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.334 107.0 100.1 90.9 -7.8 65.0 27.9 32.4 90 92 A T < - 0 0 29 -3,-2.5 23,-0.6 50,-0.0 2,-0.4 -0.615 61.9-129.9-112.0 168.5 64.7 25.8 29.2 91 93 A I E -cd 113 140B 8 48,-1.9 50,-3.2 -2,-0.2 51,-1.0 -0.956 7.6-139.7-122.2 135.6 65.2 26.6 25.5 92 94 A G E -cd 114 142B 0 21,-3.0 23,-1.9 -2,-0.4 2,-0.5 -0.838 30.9-160.3 -89.6 108.1 63.1 25.9 22.5 93 95 A N E -cd 115 143B 0 49,-1.9 51,-2.8 -2,-0.9 2,-0.4 -0.829 8.6-168.1-101.7 126.1 65.8 24.9 20.0 94 96 A Y E -cd 116 144B 1 21,-2.5 23,-2.3 -2,-0.5 24,-0.8 -0.912 21.2-149.2-119.5 137.7 64.9 25.1 16.3 95 97 A V E -c 118 0B 0 49,-2.6 2,-0.7 -2,-0.4 51,-0.3 -0.946 24.8-145.7-100.4 118.2 66.4 23.9 13.0 96 98 A L E +c 119 0B 6 22,-2.6 24,-1.7 -2,-0.6 25,-0.2 -0.785 40.2 146.7 -91.7 114.3 65.5 26.4 10.3 97 99 A T - 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