==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER AMINOTRANSFERASE 25-JUN-98 1BJN . COMPND 2 MOLECULE: PHOSPHOSERINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.HESTER,M.MOSER,J.N.JANSONIUS . 720 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 9.2 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 . 2 0.3 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 . 50 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 0 0 2 0 0 2 4 0 0 2 0 0 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 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 PARALLEL BRIDGES PER LADDER . 4 4 0 4 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 . 4 6 0 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 0 207 0, 0.0 2,-0.5 0, 0.0 391,-0.0 0.000 360.0 360.0 360.0 -39.4 45.9 53.9 42.9 2 4 A I - 0 0 64 390,-0.1 2,-0.5 318,-0.1 318,-0.2 -0.933 360.0-168.9-107.1 123.1 42.1 53.9 42.1 3 5 A F E -a 320 0A 26 316,-3.0 318,-2.6 -2,-0.5 2,-0.6 -0.957 8.6-153.2-114.1 123.0 40.5 57.1 41.0 4 6 A N E +a 321 0A 10 -2,-0.5 7,-0.4 316,-0.2 318,-0.2 -0.874 15.3 179.1-100.6 112.5 36.7 57.1 40.9 5 7 A F + 0 0 1 316,-2.3 330,-1.2 -2,-0.6 317,-0.1 0.130 27.3 150.1 -98.3 20.3 35.2 59.6 38.4 6 8 A S - 0 0 6 391,-0.2 5,-0.4 1,-0.1 317,-0.1 -0.222 45.8-137.8 -55.1 137.7 31.6 58.7 39.1 7 9 A S S S+ 0 0 26 1,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.514 77.2 4.2 -79.7 -6.9 29.1 61.6 38.6 8 10 A G S S+ 0 0 5 1,-1.5 392,-0.2 389,-0.2 2,-0.2 0.080 121.2 46.7 136.7 111.4 27.0 61.0 41.7 9 11 A P S S+ 0 0 1 0, 0.0 -1,-1.5 0, 0.0 2,-0.2 0.431 99.7 177.6 -50.6 140.7 27.1 59.1 44.1 10 12 A A - 0 0 6 185,-1.0 -3,-0.1 189,-0.3 388,-0.1 -0.697 31.4 -64.1-123.8 177.8 30.6 60.3 43.9 11 13 A M - 0 0 36 -7,-0.4 328,-0.3 -5,-0.4 329,-0.1 -0.307 45.2-148.5 -62.1 142.9 34.0 60.0 45.6 12 14 A L - 0 0 8 327,-0.1 5,-0.1 1,-0.1 382,-0.1 -0.781 39.6 -76.6-110.9 154.0 34.2 61.2 49.2 13 15 A P >> - 0 0 8 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.310 40.3-134.4 -52.1 128.2 37.4 62.7 50.8 14 16 A A H 3> S+ 0 0 63 325,-0.3 4,-1.6 1,-0.2 5,-0.1 0.877 104.7 53.0 -53.4 -41.8 39.6 59.8 51.6 15 17 A E H 3> S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.823 105.9 54.0 -64.6 -34.3 40.4 61.2 55.0 16 18 A V H <> S+ 0 0 4 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.895 108.9 48.0 -66.7 -41.8 36.7 61.5 55.8 17 19 A L H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.800 106.5 57.4 -69.5 -31.1 36.1 57.8 55.0 18 20 A K H X S+ 0 0 101 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.942 110.8 43.7 -63.3 -45.4 39.1 56.7 57.1 19 21 A Q H X S+ 0 0 80 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.928 112.6 50.7 -65.2 -46.3 37.5 58.5 60.1 20 22 A A H < S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.873 111.1 50.5 -60.4 -37.3 34.0 57.1 59.5 21 23 A Q H >< S+ 0 0 41 -4,-2.0 3,-1.2 2,-0.2 4,-0.3 0.950 109.9 48.2 -66.0 -51.1 35.4 53.6 59.2 22 24 A Q H 3< S+ 0 0 148 -4,-2.2 3,-0.3 1,-0.3 4,-0.2 0.837 119.4 39.0 -58.2 -39.8 37.3 53.7 62.5 23 25 A E T 3< S+ 0 0 42 -4,-2.1 11,-0.3 1,-0.2 -1,-0.3 0.330 82.8 109.6 -92.9 4.4 34.3 55.1 64.4 24 26 A L S < S+ 0 0 1 -3,-1.2 11,-0.3 -4,-0.3 3,-0.2 0.840 93.1 22.8 -51.3 -36.5 31.7 53.0 62.6 25 27 A R S S+ 0 0 95 -3,-0.3 2,-0.2 -4,-0.3 -1,-0.2 0.642 132.6 34.9-107.5 -14.3 31.1 50.8 65.7 26 28 A D S > S+ 0 0 89 -4,-0.2 3,-0.5 5,-0.1 2,-0.4 -0.707 70.8 178.4-142.2 85.9 32.2 53.0 68.6 27 29 A W G > S- 0 0 8 5,-3.2 3,-1.8 -2,-0.2 5,-0.4 -0.755 70.5 -5.9 -93.4 132.0 31.5 56.7 68.0 28 30 A N G 3 S- 0 0 100 -2,-0.4 -1,-0.2 1,-0.3 5,-0.0 0.808 120.0 -70.3 58.3 32.5 32.5 59.3 70.7 29 31 A G G < S+ 0 0 69 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.740 107.0 125.4 58.5 19.5 33.4 56.5 73.1 30 32 A L S < S- 0 0 26 -3,-1.8 -2,-0.1 2,-0.3 -1,-0.1 0.636 74.8-127.3 -82.4 -15.5 29.7 55.7 73.3 31 33 A G S S+ 0 0 29 1,-0.3 2,-0.3 -4,-0.1 332,-0.1 0.636 82.0 81.2 77.2 12.2 30.3 52.1 72.4 32 34 A T S S- 0 0 8 -5,-0.4 -5,-3.2 -9,-0.1 -1,-0.3 -0.907 83.7 -98.5-141.0 166.0 27.7 52.4 69.6 33 35 A S > - 0 0 0 -2,-0.3 3,-1.3 -7,-0.2 4,-0.4 -0.423 30.7-115.0 -83.6 163.1 27.6 53.8 66.0 34 36 A V G > S+ 0 0 2 -11,-0.3 3,-0.6 1,-0.3 -1,-0.1 0.775 119.9 60.9 -65.2 -25.5 26.3 57.3 65.0 35 37 A M G 3 S+ 0 0 2 -11,-0.3 -1,-0.3 1,-0.2 336,-0.2 0.607 101.3 51.9 -73.9 -18.3 23.6 55.2 63.2 36 38 A E G < S+ 0 0 13 -3,-1.3 2,-0.2 334,-0.1 331,-0.2 0.455 91.7 87.7-102.6 0.3 22.4 53.6 66.5 37 39 A V S < S- 0 0 14 -3,-0.6 204,-0.1 -4,-0.4 334,-0.1 -0.646 83.6 -96.4-101.6 156.4 21.8 56.7 68.6 38 40 A S > - 0 0 32 -2,-0.2 3,-0.9 1,-0.1 6,-0.5 -0.375 19.4-136.5 -68.0 144.5 18.7 58.9 68.9 39 41 A H T 3 S+ 0 0 12 330,-0.3 -1,-0.1 1,-0.2 9,-0.1 0.529 107.9 54.4 -76.4 -7.4 18.5 62.0 66.8 40 42 A R T 3 S+ 0 0 120 4,-0.1 -1,-0.2 5,-0.0 2,-0.1 0.392 84.4 108.7-105.0 -0.5 17.1 63.7 69.9 41 43 A G S <> S- 0 0 22 -3,-0.9 4,-2.1 1,-0.1 5,-0.2 -0.455 82.9-113.9 -75.4 150.4 20.0 62.7 72.1 42 44 A K H > S+ 0 0 165 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.830 112.0 57.8 -51.8 -37.6 22.4 65.5 73.2 43 45 A E H > S+ 0 0 72 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.936 110.5 38.0 -62.6 -53.3 25.3 63.9 71.1 44 46 A F H > S+ 0 0 1 -6,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.846 110.0 61.5 -69.2 -35.0 23.7 63.9 67.7 45 47 A I H X S+ 0 0 59 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.863 105.3 49.7 -59.4 -32.4 22.0 67.3 68.3 46 48 A Q H X S+ 0 0 102 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.882 107.8 51.7 -73.7 -38.8 25.5 68.7 68.7 47 49 A V H X S+ 0 0 30 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.910 111.6 48.9 -61.5 -41.9 26.8 67.0 65.4 48 50 A A H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.838 110.4 49.9 -67.1 -36.1 23.8 68.6 63.6 49 51 A E H X S+ 0 0 126 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.826 112.6 46.7 -74.6 -31.9 24.4 72.0 65.1 50 52 A E H X S+ 0 0 70 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.855 108.1 55.5 -77.0 -36.4 28.1 72.0 64.1 51 53 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.959 111.8 44.2 -59.5 -48.6 27.3 70.7 60.6 52 54 A E H X S+ 0 0 60 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.919 115.0 48.7 -62.2 -44.3 25.0 73.7 60.0 53 55 A K H X S+ 0 0 119 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.946 111.7 48.1 -61.5 -49.3 27.4 76.1 61.6 54 56 A D H X S+ 0 0 12 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.909 111.8 50.5 -58.8 -42.3 30.4 74.9 59.5 55 57 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.900 109.1 51.1 -62.3 -43.4 28.3 75.0 56.4 56 58 A R H X>S+ 0 0 45 -4,-2.3 5,-2.0 1,-0.2 4,-0.7 0.861 112.3 47.0 -63.3 -36.9 27.3 78.6 57.1 57 59 A D H ><5S+ 0 0 61 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.930 108.3 55.7 -70.5 -45.4 30.9 79.6 57.7 58 60 A L H 3<5S+ 0 0 18 -4,-2.6 202,-0.4 1,-0.2 -2,-0.2 0.883 123.1 24.4 -54.1 -46.1 32.1 77.9 54.5 59 61 A L H 3<5S- 0 0 6 -4,-1.9 125,-0.4 -5,-0.1 -1,-0.2 0.333 104.6-120.5-103.7 4.5 29.7 79.8 52.2 60 62 A N T <<5 - 0 0 135 -4,-0.7 124,-0.2 -3,-0.5 -3,-0.2 0.963 36.6-167.1 53.5 58.3 29.2 82.9 54.4 61 63 A V < - 0 0 14 -5,-2.0 -1,-0.2 -6,-0.1 4,-0.1 -0.692 18.1-124.4 -80.0 120.2 25.4 82.4 54.7 62 64 A P > - 0 0 44 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.125 21.7-106.2 -59.5 163.5 23.8 85.6 56.2 63 65 A S T 3 S+ 0 0 108 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.719 114.1 67.0 -65.0 -25.0 21.6 85.6 59.3 64 66 A N T 3 S+ 0 0 57 2,-0.0 146,-2.8 145,-0.0 2,-0.4 0.254 89.4 83.6 -83.7 16.0 18.4 86.1 57.3 65 67 A Y E < -B 209 0B 4 -3,-1.3 2,-0.4 144,-0.2 144,-0.2 -0.924 67.2-145.1-119.9 143.4 18.8 82.6 55.7 66 68 A K E -B 208 0B 58 142,-3.1 142,-2.3 -2,-0.4 2,-0.6 -0.843 7.8-149.5-105.1 140.8 17.7 79.3 57.1 67 69 A V E -B 207 0B 4 -2,-0.4 2,-0.4 140,-0.2 140,-0.2 -0.971 20.1-171.1-111.9 117.2 19.8 76.2 56.4 68 70 A L E -B 206 0B 3 138,-3.1 138,-2.5 -2,-0.6 2,-0.5 -0.886 16.9-153.7-113.8 144.6 17.6 73.0 56.2 69 71 A F E +B 205 0B 3 -2,-0.4 2,-0.3 136,-0.2 136,-0.2 -0.970 34.7 158.4-115.4 116.5 18.6 69.3 56.0 70 72 A C E -B 204 0B 1 134,-2.7 134,-1.9 -2,-0.5 3,-0.3 -0.828 39.2-103.8-139.3 176.0 16.0 67.1 54.4 71 73 A H S S+ 0 0 7 152,-0.4 132,-0.1 -2,-0.3 361,-0.0 -0.403 80.2 62.8 -88.8 168.0 14.9 64.0 52.6 72 74 A G S > S- 0 0 0 130,-0.2 4,-0.5 -2,-0.1 3,-0.2 0.109 80.0-127.5 108.2 -24.7 14.1 63.7 48.9 73 75 A G H >> - 0 0 3 -3,-0.3 3,-0.9 1,-0.2 4,-0.8 -0.118 56.3 -46.7 70.0-174.2 17.3 64.5 47.0 74 76 A G H >> S+ 0 0 0 1,-0.3 4,-0.7 2,-0.2 3,-0.7 0.862 139.2 54.3 -61.5 -37.2 17.4 67.1 44.2 75 77 A R H 34 S+ 0 0 32 1,-0.2 4,-0.4 -3,-0.2 509,-0.3 0.636 100.0 62.1 -73.6 -14.4 14.2 65.8 42.5 76 78 A G H S+ 0 0 0 -3,-0.5 4,-2.2 -4,-0.4 -2,-0.2 0.792 116.3 58.1 -97.2 -39.5 8.4 69.7 43.8 80 82 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 5,-0.2 0.855 100.4 56.7 -61.3 -41.5 9.3 71.4 47.1 81 83 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 3,-0.5 0.969 112.9 38.9 -57.0 -54.8 10.2 74.8 45.6 82 84 A P H > S+ 0 0 3 0, 0.0 4,-1.0 0, 0.0 5,-0.3 0.895 115.5 53.6 -62.5 -41.4 6.8 75.3 43.9 83 85 A L H < S+ 0 0 4 -4,-2.2 134,-3.1 1,-0.1 137,-0.2 0.772 119.7 33.8 -65.4 -23.7 4.9 73.8 46.8 84 86 A N H < S+ 0 0 5 -4,-1.6 131,-0.3 -3,-0.5 -3,-0.2 0.872 126.4 26.3-100.0 -47.2 6.7 76.3 49.2 85 87 A I H < S+ 0 0 1 -4,-2.7 -2,-0.1 -5,-0.2 131,-0.1 0.244 94.1 87.0-108.8 14.9 7.3 79.6 47.5 86 88 A L >< + 0 0 16 -4,-1.0 3,-1.2 -5,-0.3 5,-0.2 0.915 60.0 164.9 -77.4 -40.3 4.6 79.8 44.8 87 89 A G T 3 - 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