==== 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 30-DEC-98 1B4X . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.J.JEFFERY,L.M.GLOSS,G.A.PETSKO,D.RINGE . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 3 0 0 0 2 1 1 1 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 2 1 1 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 . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 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 5 A M >> 0 0 185 0, 0.0 3,-0.6 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -33.9 41.8 -13.4 -14.7 2 6 A F T 34 + 0 0 173 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.356 360.0 84.3 -86.8 6.6 39.3 -15.6 -12.9 3 7 A E T 34 S+ 0 0 168 1,-0.1 -1,-0.2 3,-0.0 0, 0.0 0.803 93.5 45.6 -77.2 -29.3 41.1 -18.9 -13.5 4 8 A N T <4 S+ 0 0 162 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.971 83.9 127.8 -72.9 -55.5 43.4 -18.4 -10.5 5 9 A I < - 0 0 111 -4,-0.6 2,-0.3 1,-0.1 -3,-0.0 0.510 51.7-137.8 -15.2 121.8 40.7 -17.3 -8.0 6 10 A T - 0 0 127 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.695 25.0-108.2 -87.5 136.7 40.5 -19.0 -4.7 7 11 A A - 0 0 89 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.362 35.4-117.8 -62.9 141.4 37.1 -19.9 -3.2 8 12 A A - 0 0 89 1,-0.1 -1,-0.1 -2,-0.0 3,-0.1 -0.535 30.1-116.2 -81.2 148.8 36.1 -17.8 -0.2 9 13 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.247 42.1 -70.8 -78.8 176.2 35.5 -19.6 3.1 10 14 A A - 0 0 85 1,-0.1 5,-0.0 2,-0.1 4,-0.0 -0.317 40.5-118.2 -68.2 142.0 32.3 -19.8 5.1 11 15 A D > - 0 0 60 1,-0.1 4,-0.8 -3,-0.1 5,-0.2 -0.726 29.9-125.6 -77.0 130.8 30.8 -16.9 6.9 12 16 A P T 4 S+ 0 0 78 0, 0.0 359,-0.3 0, 0.0 -1,-0.1 0.759 102.4 23.1 -48.7 -27.4 30.8 -18.0 10.6 13 17 A I T >4 S+ 0 0 19 357,-0.1 3,-1.3 2,-0.1 4,-0.3 0.861 118.5 53.6-105.9 -54.1 27.1 -17.4 10.9 14 18 A L T 34 S+ 0 0 100 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.262 95.6 68.4 -72.8 12.2 25.4 -17.6 7.5 15 19 A G T 3< S+ 0 0 20 -4,-0.8 -1,-0.2 2,-0.1 -2,-0.1 0.665 88.4 64.6-102.8 -19.3 26.8 -21.0 6.5 16 20 A L S X> S+ 0 0 14 -3,-1.3 4,-1.7 -5,-0.2 3,-1.0 0.714 90.6 68.2 -72.5 -27.6 24.7 -22.8 9.1 17 21 A A H >> S+ 0 0 38 -4,-0.3 4,-2.6 1,-0.3 3,-1.6 0.992 95.3 51.3 -55.8 -65.3 21.5 -21.7 7.3 18 22 A D H 34 S+ 0 0 102 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.461 111.3 52.6 -53.4 -4.4 22.1 -23.9 4.2 19 23 A L H <4 S+ 0 0 94 -3,-1.0 -1,-0.3 3,-0.1 -2,-0.2 0.712 117.9 32.5-102.7 -37.2 22.6 -26.7 6.7 20 24 A F H X< S+ 0 0 39 -4,-1.7 3,-1.9 -3,-1.6 -2,-0.2 0.930 126.1 44.3 -77.9 -62.2 19.3 -26.3 8.6 21 25 A R T 3< S+ 0 0 202 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.927 122.9 37.9 -43.4 -55.3 17.4 -25.1 5.5 22 26 A A T 3 S+ 0 0 64 -5,-0.5 2,-0.6 2,-0.1 -1,-0.3 0.409 90.3 107.5 -81.2 -0.8 19.0 -27.8 3.5 23 27 A D < - 0 0 26 -3,-1.9 5,-0.1 1,-0.1 -4,-0.1 -0.732 58.0-159.6 -76.0 122.1 18.8 -30.4 6.3 24 28 A E + 0 0 186 -2,-0.6 -1,-0.1 -5,-0.0 -4,-0.1 0.330 54.3 122.2 -86.4 9.9 16.0 -32.6 5.1 25 29 A R - 0 0 88 -5,-0.2 3,-0.3 1,-0.1 -2,-0.1 -0.434 56.0-146.2 -72.6 140.1 15.6 -33.6 8.8 26 30 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.982 80.2 51.3 -73.6 -64.8 12.1 -33.1 10.3 27 31 A G S S+ 0 0 68 2,-0.0 -2,-0.0 340,-0.0 0, 0.0 0.144 79.9 154.7 -73.3 24.4 12.3 -32.1 14.1 28 32 A K - 0 0 50 -2,-0.5 2,-0.3 -3,-0.3 339,-0.2 0.234 33.0-163.3 -49.6 166.1 14.8 -29.2 13.8 29 33 A I B -a 367 0A 10 337,-1.4 339,-2.5 1,-0.1 351,-0.1 -0.960 7.5-159.9-150.3 127.5 15.5 -26.1 16.0 30 34 A N + 0 0 37 -2,-0.3 -1,-0.1 349,-0.2 350,-0.1 0.921 22.6 161.6 -84.4 -54.0 17.6 -23.3 14.4 31 35 A L + 0 0 6 348,-0.3 345,-1.4 1,-0.1 339,-0.4 0.479 49.9 96.7 46.3 11.0 19.1 -21.1 17.2 32 36 A G + 0 0 4 337,-0.2 -1,-0.1 343,-0.2 338,-0.1 0.915 60.1 55.8 -89.7 -81.9 21.7 -19.6 14.9 33 37 A I S S- 0 0 68 -20,-0.1 2,-1.6 1,-0.1 343,-0.1 -0.164 77.4-117.7 -61.5 148.0 21.1 -16.2 13.2 34 38 A G S S+ 0 0 6 2,-0.0 2,-0.5 -3,-0.0 -1,-0.1 -0.332 70.6 122.0 -86.4 52.7 20.3 -13.0 15.1 35 39 A V - 0 0 34 -2,-1.6 211,-0.1 312,-0.1 341,-0.0 -0.964 66.4-115.1-113.8 126.9 16.9 -12.4 13.7 36 40 A Y - 0 0 22 -2,-0.5 2,-0.4 210,-0.1 343,-0.1 -0.292 29.2-164.8 -60.2 153.2 14.1 -12.2 16.2 37 41 A K - 0 0 59 341,-1.2 6,-0.2 6,-0.1 343,-0.1 -0.984 10.4-136.7-146.2 125.1 11.4 -14.9 16.0 38 42 A D > - 0 0 19 4,-2.8 3,-2.8 -2,-0.4 4,-0.1 -0.072 41.8 -75.1 -79.6 178.2 8.0 -14.7 17.7 39 43 A E T 3 S+ 0 0 121 1,-0.3 344,-0.3 2,-0.1 -1,-0.1 0.644 133.9 44.3 -39.7 -28.7 5.9 -17.2 19.7 40 44 A T T 3 S- 0 0 76 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.476 120.0-106.6 -99.5 -11.1 5.0 -19.0 16.5 41 45 A G S < S+ 0 0 35 -3,-2.8 2,-0.3 1,-0.3 -2,-0.1 0.761 78.0 129.7 89.0 28.2 8.5 -19.0 15.1 42 46 A K - 0 0 116 -4,-0.1 -4,-2.8 2,-0.0 -1,-0.3 -0.825 57.4-141.5-114.6 150.1 7.7 -16.3 12.5 43 47 A T - 0 0 61 -2,-0.3 -6,-0.1 -6,-0.2 -7,-0.0 -0.785 37.8-171.2-109.8 82.1 9.7 -13.2 11.8 44 48 A P - 0 0 58 0, 0.0 2,-0.5 0, 0.0 3,-0.0 -0.233 27.0-108.6 -74.7 160.3 6.7 -10.9 11.2 45 49 A V - 0 0 70 1,-0.1 204,-0.1 205,-0.0 5,-0.1 -0.797 46.4-103.7 -91.1 127.4 6.7 -7.4 9.9 46 50 A L > - 0 0 16 -2,-0.5 4,-1.6 202,-0.4 3,-0.2 -0.158 17.2-128.9 -49.9 150.8 5.8 -5.0 12.6 47 51 A T H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.877 108.8 55.7 -71.2 -40.7 2.3 -3.4 12.6 48 52 A S H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.747 109.1 47.8 -64.6 -25.7 3.7 0.1 12.9 49 53 A V H > S+ 0 0 3 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.822 107.3 54.4 -84.7 -33.4 5.8 -0.5 9.8 50 54 A K H X S+ 0 0 124 -4,-1.6 4,-1.3 1,-0.2 5,-0.2 0.921 111.7 47.5 -60.9 -40.8 2.8 -1.9 7.8 51 55 A K H X S+ 0 0 123 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.865 111.7 47.8 -69.2 -34.8 1.0 1.3 8.7 52 56 A A H X S+ 0 0 0 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.810 110.0 55.5 -76.0 -29.6 3.9 3.5 7.7 53 57 A E H X S+ 0 0 57 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.758 106.9 45.9 -72.2 -31.1 4.2 1.6 4.4 54 58 A Q H X S+ 0 0 106 -4,-1.3 4,-2.1 2,-0.2 5,-0.2 0.875 112.3 55.1 -77.8 -35.2 0.6 2.1 3.3 55 59 A Y H X S+ 0 0 118 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.884 108.5 45.9 -59.7 -42.4 1.1 5.8 4.3 56 60 A L H X S+ 0 0 13 -4,-1.7 4,-3.2 1,-0.2 -1,-0.2 0.888 110.7 55.0 -66.4 -41.6 4.2 6.0 2.0 57 61 A L H < S+ 0 0 129 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.860 111.5 42.8 -60.3 -37.0 2.2 4.3 -0.7 58 62 A E H < S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.871 125.6 34.0 -78.9 -33.7 -0.6 6.9 -0.5 59 63 A N H < S+ 0 0 90 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.668 81.9 108.3-100.0 -19.6 1.8 9.9 -0.2 60 64 A E < + 0 0 74 -4,-3.2 3,-0.1 1,-0.2 -4,-0.0 -0.463 32.4 173.1 -67.1 127.3 5.0 9.2 -2.3 61 66 A T + 0 0 138 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.566 62.5 15.2-107.2 -16.6 5.1 11.4 -5.3 62 67 A T - 0 0 92 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.965 48.7-146.4-157.5 154.8 8.6 10.7 -6.7 63 68 A K + 0 0 169 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.012 52.6 149.0-111.3 22.7 11.4 8.2 -6.3 64 69 A N - 0 0 117 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.239 56.3 -70.5 -61.9 144.6 14.0 11.0 -6.9 65 70 A Y - 0 0 180 1,-0.1 -1,-0.2 222,-0.0 2,-0.1 0.066 40.4-136.7 -38.7 133.1 17.4 10.8 -5.3 66 71 A L - 0 0 43 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.419 38.3 -91.4 -82.0 160.8 17.9 11.3 -1.6 67 72 A G B > -B 70 0B 38 3,-0.6 3,-1.4 -2,-0.1 -1,-0.2 -0.249 43.0 -98.8 -67.6 168.6 20.9 13.4 -0.6 68 73 A I T 3 S+ 0 0 48 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.885 129.7 42.9 -58.4 -36.9 24.2 11.7 0.1 69 74 A D T 3 S- 0 0 53 1,-0.3 30,-2.3 29,-0.1 -1,-0.3 0.460 110.3-142.4 -87.4 -2.1 23.4 11.8 3.8 70 75 A G B < +B 67 0B 8 -3,-1.4 -3,-0.6 28,-0.2 -1,-0.3 -0.554 54.1 11.2 87.4-144.6 19.8 10.8 3.2 71 76 A I >> - 0 0 20 -2,-0.2 4,-1.9 1,-0.2 3,-0.6 -0.719 57.0-151.5 -83.8 114.7 16.5 11.9 4.9 72 77 A P H 3> S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.851 98.1 53.0 -48.8 -45.6 17.1 14.9 7.2 73 78 A E H 3> S+ 0 0 89 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.870 106.6 51.7 -61.8 -41.2 14.3 13.9 9.4 74 79 A F H <> S+ 0 0 0 -3,-0.6 4,-1.8 1,-0.2 -1,-0.3 0.865 108.5 54.3 -64.4 -37.0 15.8 10.4 9.8 75 80 A G H X S+ 0 0 10 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.965 108.3 46.5 -59.7 -56.6 19.0 12.2 10.7 76 81 A R H X S+ 0 0 137 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.880 112.1 50.6 -51.6 -48.1 17.5 14.3 13.6 77 82 A C H X S+ 0 0 19 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.858 106.8 53.0 -61.4 -43.0 15.6 11.3 15.0 78 83 A T H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.890 110.1 50.9 -61.4 -38.2 18.7 9.1 15.2 79 84 A Q H X>S+ 0 0 23 -4,-1.8 4,-3.0 2,-0.2 5,-0.6 0.923 112.6 43.2 -65.7 -46.9 20.4 11.9 17.1 80 85 A E H X5S+ 0 0 87 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.858 112.6 53.3 -67.9 -37.0 17.7 12.3 19.7 81 86 A L H <5S+ 0 0 4 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.891 121.2 33.2 -64.3 -37.6 17.3 8.6 20.0 82 87 A L H <5S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.966 130.0 25.9 -81.1 -61.5 21.1 8.4 20.7 83 88 A F H <5S- 0 0 11 -4,-3.0 -3,-0.2 1,-0.2 5,-0.1 0.640 112.1-101.6 -82.6 -20.1 22.1 11.5 22.5 84 89 A G ><< - 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