==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER AMINOTRANSFERASE 15-JUN-99 1QIR . 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) . 17870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.1 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 . 2 0.5 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 . 0 0.0 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 . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 1 2 2 0 1 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 0 190 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.8 41.4 -14.8 -13.9 2 6 A F > + 0 0 160 1,-0.2 3,-1.6 2,-0.1 0, 0.0 0.405 360.0 103.0-100.1 3.1 39.3 -16.7 -11.3 3 7 A E T 3 S+ 0 0 159 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.791 87.9 37.6 -54.1 -42.4 40.8 -20.2 -11.4 4 8 A N T 3 S+ 0 0 156 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.107 80.9 128.0 -99.4 15.8 42.8 -19.9 -8.2 5 9 A I < - 0 0 117 -3,-1.6 2,-0.3 1,-0.0 -3,-0.0 -0.620 53.2-140.0 -74.1 127.2 40.3 -18.0 -6.1 6 10 A T - 0 0 121 -2,-0.4 2,-0.2 1,-0.1 -2,-0.1 -0.656 22.2 -99.4 -85.7 156.9 39.8 -19.8 -2.9 7 11 A A - 0 0 92 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.495 38.1-119.2 -70.7 133.1 36.5 -20.2 -1.2 8 12 A A - 0 0 88 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.433 32.0-104.7 -70.8 149.9 35.9 -17.7 1.6 9 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.562 49.7 -94.3 -73.7 141.6 35.2 -19.2 5.0 10 14 A A - 0 0 84 -2,-0.2 -3,-0.0 1,-0.1 6,-0.0 -0.241 43.8 -98.2 -62.0 146.4 31.5 -19.0 5.8 11 15 A D > - 0 0 61 1,-0.1 4,-2.0 -3,-0.1 5,-0.3 -0.467 28.7-132.5 -62.2 130.3 30.4 -16.1 7.8 12 16 A P T 4 S+ 0 0 72 0, 0.0 359,-0.3 0, 0.0 -1,-0.1 0.795 102.2 25.4 -57.9 -30.3 30.1 -17.1 11.5 13 17 A I T >> S+ 0 0 10 357,-0.1 3,-0.6 2,-0.1 4,-0.5 0.879 128.8 39.4 -98.4 -53.3 26.6 -15.5 11.9 14 18 A L H 3> S+ 0 0 104 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.752 109.5 56.4 -72.3 -28.2 25.2 -15.5 8.4 15 19 A G H 3X S+ 0 0 12 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.626 97.2 67.8 -78.0 -12.4 26.4 -18.9 7.1 16 20 A L H <> S+ 0 0 9 -3,-0.6 4,-2.0 -5,-0.3 -1,-0.2 0.813 92.8 57.8 -71.9 -35.3 24.6 -20.4 10.1 17 21 A A H X S+ 0 0 32 -4,-0.5 4,-1.4 -3,-0.5 -1,-0.2 0.834 104.5 52.5 -65.9 -32.5 21.3 -19.4 8.5 18 22 A D H X S+ 0 0 112 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.902 108.3 49.1 -69.0 -44.3 22.2 -21.4 5.4 19 23 A L H < S+ 0 0 75 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.892 110.0 52.0 -60.0 -45.4 23.0 -24.6 7.5 20 24 A F H < S+ 0 0 32 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.829 110.0 48.9 -60.6 -38.1 19.7 -24.2 9.3 21 25 A R H < S+ 0 0 192 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.890 107.9 53.7 -68.8 -43.7 17.8 -23.9 6.0 22 26 A A S < S+ 0 0 79 -4,-2.3 2,-0.5 -5,-0.1 -1,-0.2 0.568 88.9 107.0 -67.1 -7.4 19.6 -27.0 4.7 23 27 A D - 0 0 21 -3,-0.5 5,-0.1 -4,-0.4 -3,-0.0 -0.635 50.6-170.2 -81.6 120.9 18.4 -28.8 7.8 24 28 A E + 0 0 179 -2,-0.5 -1,-0.1 0, 0.0 -4,-0.0 0.507 48.4 114.4 -87.4 -6.1 15.5 -31.4 7.2 25 29 A R > - 0 0 85 1,-0.1 3,-0.8 2,-0.0 -2,-0.1 -0.415 63.2-135.1 -73.4 145.3 14.8 -32.0 10.9 26 30 A P T 3 S+ 0 0 136 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.957 94.6 39.8 -60.7 -64.2 11.4 -31.0 12.5 27 31 A G T 3 S+ 0 0 58 2,-0.0 2,-0.2 340,-0.0 -2,-0.0 -0.166 74.9 148.2 -87.2 41.9 12.3 -29.4 15.8 28 32 A K < - 0 0 53 -3,-0.8 2,-0.4 -2,-0.7 339,-0.2 -0.522 32.6-153.4 -72.7 145.7 15.4 -27.4 14.8 29 33 A I E -a 367 0A 10 337,-2.3 339,-3.0 -2,-0.2 2,-0.7 -0.969 3.5-147.9-124.5 132.9 15.7 -24.2 16.8 30 34 A N E +a 368 0A 29 -2,-0.4 339,-0.1 349,-0.2 337,-0.1 -0.882 31.9 154.9-110.2 107.0 17.5 -21.1 15.5 31 35 A L + 0 0 1 337,-2.3 345,-1.0 -2,-0.7 339,-0.4 -0.063 53.6 93.9-113.0 24.7 19.2 -19.1 18.2 32 36 A G + 0 0 1 337,-0.2 338,-0.2 343,-0.2 -18,-0.1 0.947 65.3 45.9 -86.1 -92.2 21.7 -17.7 15.7 33 37 A I S S- 0 0 51 -20,-0.2 2,-2.1 1,-0.1 343,-0.0 -0.233 85.7-108.2 -60.3 147.1 21.2 -14.4 13.9 34 38 A G + 0 0 6 344,-0.0 2,-0.4 314,-0.0 -1,-0.1 -0.434 69.7 133.7 -78.4 64.7 20.1 -11.3 16.0 35 39 A V - 0 0 30 -2,-2.1 2,-0.2 312,-0.1 211,-0.1 -0.956 55.7-119.2-117.2 131.0 16.5 -11.1 14.6 36 40 A Y - 0 0 24 -2,-0.4 2,-0.3 210,-0.1 343,-0.1 -0.470 25.4-164.5 -69.4 143.9 13.6 -10.7 17.0 37 41 A K - 0 0 46 341,-1.1 6,-0.2 -2,-0.2 343,-0.1 -0.962 11.9-136.5-128.5 140.6 10.9 -13.3 17.2 38 42 A D > - 0 0 17 4,-2.4 3,-2.7 -2,-0.3 4,-0.1 -0.334 48.9 -76.5 -85.5 179.7 7.4 -12.9 18.8 39 43 A E T 3 S+ 0 0 122 1,-0.3 344,-0.3 2,-0.1 -1,-0.0 0.654 133.6 51.1 -50.7 -19.8 5.8 -15.6 21.0 40 44 A T T 3 S- 0 0 83 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.384 119.0-106.4-100.4 -0.1 5.0 -17.7 17.9 41 45 A G S < S+ 0 0 36 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.761 78.7 126.3 81.1 26.3 8.4 -17.7 16.4 42 46 A K - 0 0 117 -4,-0.1 -4,-2.4 2,-0.0 -1,-0.3 -0.750 56.5-142.3-110.7 162.2 7.6 -15.2 13.6 43 47 A T - 0 0 56 -2,-0.3 -6,-0.1 -6,-0.2 3,-0.1 -0.763 31.6-170.4-124.9 77.0 9.3 -11.9 12.7 44 48 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 -8,-0.1 -0.210 29.2-109.4 -65.9 156.4 6.4 -9.7 11.8 45 49 A V - 0 0 62 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.758 51.3 -98.8 -85.0 136.0 6.7 -6.4 10.2 46 50 A L > - 0 0 15 202,-0.4 4,-2.4 -2,-0.4 5,-0.2 -0.235 18.6-128.1 -56.8 145.2 5.7 -3.8 12.8 47 51 A T H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.893 111.5 55.3 -62.1 -39.6 2.1 -2.4 12.7 48 52 A S H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.858 110.1 45.5 -63.6 -36.1 3.6 1.1 12.9 49 53 A V H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.896 108.4 55.0 -76.5 -34.5 5.8 0.4 9.8 50 54 A K H X S+ 0 0 123 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.880 110.3 49.0 -59.4 -40.9 2.9 -1.3 7.8 51 55 A K H X S+ 0 0 103 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.899 110.2 48.4 -66.4 -44.0 0.9 1.9 8.4 52 56 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.903 109.9 54.3 -64.2 -35.1 3.8 4.2 7.3 53 57 A E H X S+ 0 0 48 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.892 106.1 50.8 -65.4 -38.0 4.2 2.0 4.2 54 58 A Q H X S+ 0 0 104 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.925 110.8 50.5 -62.5 -45.1 0.5 2.5 3.3 55 59 A Y H X S+ 0 0 126 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.867 109.7 49.9 -59.3 -39.7 1.0 6.2 3.7 56 60 A L H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.945 109.1 51.6 -66.7 -42.9 4.1 6.1 1.4 57 61 A L H < S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.836 115.3 42.4 -61.3 -37.6 2.1 4.1 -1.2 58 62 A E H < S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.933 124.1 34.9 -75.6 -43.6 -0.6 6.7 -1.1 59 63 A N H < S+ 0 0 91 -4,-2.9 2,-0.3 -5,-0.2 -2,-0.2 0.568 81.6 108.1 -94.8 -13.7 1.7 9.8 -1.0 60 64 A E < + 0 0 74 -4,-2.7 3,-0.1 1,-0.1 -4,-0.0 -0.554 33.3 178.2 -72.3 135.5 4.8 9.2 -3.0 61 66 A T + 0 0 141 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.634 64.5 13.6-108.2 -19.6 5.0 11.2 -6.2 62 67 A T - 0 0 91 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.967 44.5-148.3-159.0 158.4 8.4 10.1 -7.4 63 68 A K + 0 0 158 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.049 52.8 148.1-113.0 17.4 11.3 7.6 -7.0 64 69 A N - 0 0 119 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.220 58.9 -78.3 -56.9 144.0 13.8 10.3 -8.0 65 70 A Y - 0 0 177 1,-0.1 -1,-0.1 222,-0.0 2,-0.1 -0.042 40.1-135.8 -45.1 137.2 17.2 10.0 -6.4 66 71 A L - 0 0 47 220,-0.3 5,-0.1 1,-0.2 2,-0.1 -0.286 38.9 -86.2 -81.4 175.0 17.8 11.2 -2.8 67 72 A G B > -B 70 0B 39 3,-0.6 3,-1.9 1,-0.1 -1,-0.2 -0.366 45.8 -97.5 -77.6 166.6 20.8 13.3 -2.1 68 73 A I T 3 S+ 0 0 47 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.853 129.3 46.8 -52.7 -35.8 24.1 11.5 -1.3 69 74 A D T 3 S- 0 0 47 1,-0.2 30,-2.1 29,-0.1 -1,-0.3 0.507 108.1-138.7 -88.5 -1.3 23.2 12.1 2.3 70 75 A G B < +B 67 0B 8 -3,-1.9 -3,-0.6 28,-0.2 -1,-0.2 -0.532 53.4 0.8 92.0-153.3 19.6 11.0 2.1 71 76 A I >> - 0 0 19 -2,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.691 58.8-147.2 -84.1 115.7 16.3 12.3 3.6 72 77 A P H 3> S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.852 98.2 52.9 -51.7 -41.4 17.0 15.5 5.6 73 78 A E H 3> S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.798 104.5 56.4 -67.2 -33.5 14.2 14.8 8.1 74 79 A F H <> S+ 0 0 2 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.961 109.2 46.6 -62.7 -47.2 15.6 11.3 8.6 75 80 A G H X S+ 0 0 10 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.882 111.7 50.2 -60.2 -43.3 19.0 12.8 9.6 76 81 A R H X S+ 0 0 143 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.904 110.7 49.4 -62.9 -44.7 17.3 15.4 12.0 77 82 A C H X S+ 0 0 22 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.834 109.5 52.9 -63.6 -34.6 15.3 12.7 13.7 78 83 A T H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.935 107.0 51.3 -66.2 -48.3 18.5 10.5 14.2 79 84 A Q H X>S+ 0 0 26 -4,-2.1 4,-3.0 1,-0.2 5,-0.5 0.898 111.5 47.2 -57.2 -43.6 20.4 13.4 15.8 80 85 A E H X5S+ 0 0 84 -4,-1.9 4,-1.1 3,-0.2 -1,-0.2 0.847 112.0 50.4 -67.2 -35.4 17.5 14.0 18.2 81 86 A L H <5S+ 0 0 3 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.930 119.6 37.0 -67.0 -42.1 17.3 10.3 19.0 82 87 A L H <5S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.1 -3,-0.2 0.950 131.1 21.9 -74.0 -50.7 21.0 10.0 19.6 83 88 A F H <5S- 0 0 11 -4,-3.0 -3,-0.2 -5,-0.2 5,-0.2 0.639 109.5 -96.1 -97.9 -18.0 21.8 13.3 21.4 84 89 A G ><< - 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