==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JAN-12 4DBC . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.D.TONEY,A.J.FISHER,W.R.GRISWOLD . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 71.5 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 . 22 5.6 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 . 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 . 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 . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 3 1 0 2 1 1 2 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 . 0 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 13 A M 0 0 194 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.2 -27.6 41.2 -33.5 2 14 A F > + 0 0 166 1,-0.1 3,-1.5 2,-0.1 0, 0.0 0.472 360.0 103.8-107.9 0.5 -25.7 39.1 -31.0 3 15 A E T 3 S+ 0 0 160 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.750 88.6 37.5 -53.9 -40.8 -22.1 40.6 -31.3 4 16 A N T 3 S+ 0 0 138 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.238 77.4 131.7-100.6 8.2 -22.4 42.7 -27.9 5 17 A I < - 0 0 121 -3,-1.5 2,-0.3 1,-0.1 3,-0.1 -0.536 53.0-135.9 -67.6 126.0 -24.2 40.4 -25.7 6 18 A T - 0 0 126 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.1 -0.594 26.3-103.4 -79.7 139.9 -22.5 40.1 -22.4 7 19 A A - 0 0 89 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.281 37.5-112.0 -58.6 142.6 -22.1 36.7 -20.9 8 20 A A - 0 0 90 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.536 33.0-103.7 -71.6 149.0 -24.4 35.7 -18.1 9 21 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.226 50.5 -81.1 -65.6 155.6 -23.0 35.2 -14.5 10 22 A A - 0 0 89 1,-0.1 3,-0.0 2,-0.1 4,-0.0 -0.323 41.1-115.8 -57.3 132.7 -22.6 31.6 -13.2 11 23 A D > - 0 0 66 1,-0.2 4,-1.2 -3,-0.1 5,-0.2 -0.726 27.2-141.8 -66.4 123.6 -25.8 30.1 -11.9 12 24 A P T 4 S+ 0 0 65 0, 0.0 359,-0.3 0, 0.0 -1,-0.2 0.741 91.7 24.1 -68.1 -17.3 -24.6 29.8 -8.3 13 25 A I T >4 S+ 0 0 8 357,-0.1 3,-1.5 2,-0.1 4,-0.3 0.840 126.1 39.6-104.1 -59.9 -26.4 26.4 -8.0 14 26 A L T >> S+ 0 0 112 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.773 105.6 68.1 -70.8 -23.2 -26.8 24.7 -11.3 15 27 A G H >X S+ 0 0 26 -4,-1.2 4,-1.5 1,-0.3 3,-0.6 0.739 83.2 75.4 -66.1 -23.8 -23.4 25.8 -12.5 16 28 A L H <> S+ 0 0 12 -3,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.755 85.6 63.8 -59.5 -26.1 -21.9 23.5 -9.9 17 29 A A H <> S+ 0 0 31 -3,-1.4 4,-2.7 -4,-0.3 5,-0.2 0.908 100.7 48.7 -68.7 -39.8 -22.7 20.5 -12.1 18 30 A D H < S+ 0 0 42 -4,-2.5 3,-0.5 2,-0.2 -1,-0.2 0.905 112.9 48.4 -70.0 -41.2 -18.2 18.9 -10.6 21 33 A R H 3< S+ 0 0 166 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.872 111.7 50.6 -65.0 -39.4 -18.4 17.0 -13.9 22 34 A A H 3< S+ 0 0 74 -4,-2.1 2,-0.8 -5,-0.2 -1,-0.2 0.639 87.2 97.2 -73.3 -16.2 -15.2 18.6 -15.1 23 35 A D << - 0 0 18 -4,-0.8 5,-0.1 -3,-0.5 -4,-0.0 -0.661 54.7-171.1 -82.2 109.8 -13.4 17.7 -11.9 24 36 A E + 0 0 191 -2,-0.8 -1,-0.1 2,-0.0 -3,-0.1 0.299 43.5 120.3 -89.1 11.7 -11.4 14.6 -12.7 25 37 A R > - 0 0 93 1,-0.1 3,-0.9 2,-0.0 -2,-0.1 -0.577 61.0-135.5 -80.8 143.9 -10.4 13.9 -9.1 26 38 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.831 93.1 46.4 -71.1 -43.7 -11.5 10.6 -7.5 27 39 A G T 3 S+ 0 0 59 2,-0.1 -2,-0.0 360,-0.0 0, 0.0 0.057 75.1 148.0 -95.3 28.4 -12.7 11.4 -4.0 28 40 A K < - 0 0 61 -3,-0.9 2,-0.4 -5,-0.1 339,-0.2 -0.253 33.3-152.5 -65.7 148.4 -14.8 14.4 -5.0 29 41 A I E -a 367 0A 10 337,-3.0 339,-3.0 336,-0.1 2,-0.8 -0.983 2.6-146.1-131.6 124.8 -17.9 14.9 -2.8 30 42 A N E +a 368 0A 46 -2,-0.4 339,-0.1 349,-0.2 337,-0.1 -0.787 35.9 148.7-100.7 105.2 -21.1 16.6 -4.0 31 43 A L + 0 0 1 337,-2.4 345,-1.8 -2,-0.8 339,-0.4 -0.070 53.1 91.1-118.4 32.1 -23.0 18.7 -1.4 32 44 A G + 0 0 0 337,-0.2 338,-0.2 343,-0.2 -18,-0.1 0.838 66.5 44.3 -96.5-100.0 -24.4 21.3 -3.9 33 45 A I S S- 0 0 46 -20,-0.3 2,-2.2 1,-0.2 -1,-0.1 -0.218 86.8-105.8 -55.3 145.1 -27.6 21.1 -5.8 34 46 A G S S+ 0 0 15 -3,-0.0 2,-0.4 341,-0.0 -1,-0.2 -0.396 70.5 130.0 -76.4 67.4 -30.7 20.0 -3.8 35 47 A V - 0 0 37 -2,-2.2 2,-0.1 312,-0.1 211,-0.1 -0.974 58.2-118.2-118.1 137.7 -31.2 16.4 -5.0 36 48 A Y - 0 0 24 -2,-0.4 2,-0.4 210,-0.1 343,-0.1 -0.434 28.0-166.1 -71.0 141.3 -31.6 13.5 -2.6 37 49 A K - 0 0 35 341,-1.2 6,-0.2 343,-0.1 343,-0.1 -0.964 12.3-134.3-121.8 150.8 -29.0 10.7 -2.5 38 50 A D > - 0 0 24 4,-2.7 3,-2.4 -2,-0.4 4,-0.1 -0.219 47.1 -76.0 -86.8-172.6 -29.3 7.4 -0.9 39 51 A E T 3 S+ 0 0 109 1,-0.3 344,-0.4 2,-0.1 -1,-0.0 0.664 131.3 57.5 -64.4 -15.3 -26.7 5.6 1.3 40 52 A T T 3 S- 0 0 86 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.404 117.9-108.1 -90.3 -2.7 -24.7 4.8 -1.9 41 53 A G S < S+ 0 0 30 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.671 82.6 116.1 83.5 18.2 -24.4 8.4 -3.0 42 54 A K - 0 0 144 -4,-0.1 -4,-2.7 0, 0.0 -1,-0.3 -0.752 64.0-135.3-118.7 165.2 -26.9 7.9 -5.9 43 55 A T - 0 0 55 -2,-0.3 -6,-0.1 -6,-0.2 3,-0.1 -0.817 34.3-173.0-118.2 81.7 -30.3 9.2 -6.8 44 56 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 3,-0.0 -0.263 33.5 -98.2 -74.4 162.1 -32.4 6.2 -8.0 45 57 A V - 0 0 67 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.697 50.3-105.9 -68.2 135.3 -35.8 6.2 -9.5 46 58 A L > - 0 0 18 202,-0.4 4,-2.5 -2,-0.4 5,-0.2 -0.306 20.0-127.1 -62.8 146.3 -38.3 5.5 -6.7 47 59 A T H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 111.5 54.4 -64.0 -40.9 -39.8 2.0 -6.8 48 60 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 109.1 50.3 -57.5 -41.4 -43.3 3.4 -6.7 49 61 A V H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.923 108.4 49.9 -63.9 -45.9 -42.3 5.6 -9.7 50 62 A K H X S+ 0 0 120 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.918 111.7 50.0 -59.4 -40.1 -40.9 2.6 -11.7 51 63 A K H X S+ 0 0 108 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.943 111.8 47.0 -64.0 -45.4 -44.2 0.7 -11.0 52 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.894 110.7 52.7 -63.5 -41.0 -46.3 3.6 -12.2 53 65 A E H X S+ 0 0 42 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.899 107.7 51.3 -61.7 -38.6 -44.2 4.0 -15.3 54 66 A Q H X S+ 0 0 119 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.932 109.8 50.1 -61.0 -43.6 -44.6 0.3 -16.1 55 67 A Y H X S+ 0 0 125 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.930 111.5 48.5 -61.2 -43.7 -48.4 0.8 -15.8 56 68 A L H X S+ 0 0 11 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.903 108.5 53.2 -63.8 -40.1 -48.3 3.8 -18.1 57 69 A L H < S+ 0 0 149 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 114.6 43.1 -61.2 -38.6 -46.3 1.9 -20.7 58 70 A E H < S+ 0 0 122 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.788 126.2 28.7 -74.6 -29.9 -48.8 -0.8 -20.7 59 71 A N H < S+ 0 0 84 -4,-1.8 2,-0.2 -5,-0.2 -2,-0.2 0.635 84.9 103.9-115.3 -23.3 -52.0 1.3 -20.7 60 72 A E < + 0 0 66 -4,-2.9 3,-0.1 -5,-0.2 -4,-0.0 -0.504 35.7 176.0 -63.5 132.3 -51.4 4.6 -22.4 61 73 A T + 0 0 141 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.326 61.0 25.3-119.6 8.5 -52.9 4.7 -25.8 62 74 A T - 0 0 96 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.984 45.9-153.8-160.5 154.5 -52.2 8.3 -26.9 63 75 A K + 0 0 160 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.016 46.9 151.5-111.1 22.4 -49.9 11.3 -26.3 64 76 A N - 0 0 120 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.190 57.7 -79.0 -51.1 145.7 -52.7 13.8 -27.4 65 77 A Y - 0 0 177 1,-0.1 -1,-0.1 220,-0.0 2,-0.1 -0.067 40.8-131.5 -49.2 137.6 -52.3 17.2 -25.7 66 78 A L - 0 0 45 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.406 39.8 -86.0 -68.1 162.3 -53.4 17.7 -22.1 67 79 A G > - 0 0 41 3,-0.4 3,-2.0 -2,-0.1 -1,-0.2 -0.250 47.5 -97.7 -58.2 164.5 -55.5 20.7 -21.3 68 80 A I T 3 S+ 0 0 48 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.852 129.0 46.8 -56.9 -34.5 -53.6 23.9 -20.6 69 81 A D T 3 S- 0 0 40 1,-0.3 30,-2.6 29,-0.1 -1,-0.3 0.365 110.4-134.3 -92.2 2.5 -54.0 23.2 -16.9 70 82 A G < + 0 0 4 -3,-2.0 -3,-0.4 28,-0.2 -1,-0.3 -0.387 55.2 1.8 87.1-159.1 -53.0 19.5 -17.2 71 83 A I > - 0 0 31 1,-0.1 4,-1.7 -2,-0.1 3,-0.3 -0.563 57.2-146.7 -75.6 124.7 -54.4 16.3 -15.8 72 84 A P H > S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.903 98.5 52.8 -59.0 -43.9 -57.6 16.9 -13.8 73 85 A E H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.868 106.3 54.7 -59.9 -37.9 -56.9 14.0 -11.3 74 86 A F H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.922 107.4 50.3 -58.3 -43.3 -53.4 15.5 -10.7 75 87 A G H X S+ 0 0 10 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.920 111.4 47.8 -60.2 -46.0 -55.0 18.8 -9.8 76 88 A R H X S+ 0 0 144 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.930 112.3 48.5 -64.1 -43.8 -57.4 17.2 -7.4 77 89 A C H X S+ 0 0 13 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 110.9 51.5 -63.4 -38.4 -54.7 15.1 -5.7 78 90 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.947 109.1 50.0 -62.3 -46.3 -52.5 18.3 -5.3 79 91 A Q H X>S+ 0 0 24 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.896 109.2 51.2 -62.6 -37.9 -55.3 20.2 -3.7 80 92 A E H X5S+ 0 0 72 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.927 111.2 48.3 -66.8 -40.2 -56.0 17.4 -1.2 81 93 A L H <5S+ 0 0 2 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.905 118.0 41.8 -58.8 -40.8 -52.2 17.3 -0.3 82 94 A L H <5S+ 0 0 2 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.939 131.7 18.1 -72.4 -50.7 -52.1 21.1 0.1 83 95 A F H <5S- 0 0 10 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.651 105.6-110.7-107.7 -13.2 -55.4 21.8 2.0 84 96 A G ><< - 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