==== 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 14-JUN-04 1TOI . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.A.CHOW,K.E.MCELROY,K.D.CORBETT,J.M.BERGER,J.F.KIRSCH . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 70.2 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 . 21 5.3 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 . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 38.6 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 2 0 0 1 1 2 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 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 . 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 0 196 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.3 69.5 36.0 5.1 2 6 A F > + 0 0 168 1,-0.1 3,-1.3 2,-0.1 0, 0.0 0.429 360.0 101.9-103.0 -0.5 67.6 38.2 7.6 3 7 A E T 3 S+ 0 0 168 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.790 87.1 38.5 -55.9 -36.7 64.1 36.5 7.3 4 8 A N T 3 S+ 0 0 154 -3,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.335 80.2 130.3-105.2 6.4 64.3 34.5 10.5 5 9 A I < - 0 0 124 -3,-1.3 2,-0.3 1,-0.1 -3,-0.0 -0.413 51.9-136.3 -64.1 130.1 66.1 36.9 12.9 6 10 A T - 0 0 126 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.681 26.2-100.9 -86.1 142.6 64.3 37.2 16.2 7 11 A A - 0 0 90 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.285 39.6-111.2 -59.3 143.2 63.8 40.7 17.8 8 12 A A - 0 0 89 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.565 34.1-106.7 -77.9 141.7 66.3 41.5 20.5 9 13 A P - 0 0 124 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.352 43.0 -96.8 -65.3 147.0 64.8 41.8 24.1 10 14 A A - 0 0 91 1,-0.1 6,-0.0 2,-0.1 3,-0.0 -0.416 38.0-114.0 -64.8 137.8 64.6 45.4 25.4 11 15 A D > - 0 0 44 1,-0.1 4,-1.9 -2,-0.1 5,-0.2 -0.605 18.7-131.7 -71.5 131.5 67.5 46.5 27.7 12 16 A P T 4 S+ 0 0 68 0, 0.0 359,-0.4 0, 0.0 -1,-0.1 0.818 102.5 21.7 -56.6 -31.1 66.3 47.0 31.3 13 17 A I T >4 S+ 0 0 14 357,-0.1 3,-1.3 2,-0.1 4,-0.4 0.867 126.1 45.0-101.0 -52.4 68.1 50.4 31.4 14 18 A L T >> S+ 0 0 103 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.778 102.9 66.1 -69.3 -27.2 68.6 51.6 27.8 15 19 A G H 3X S+ 0 0 21 -4,-1.9 4,-1.6 1,-0.2 -1,-0.3 0.651 85.7 74.9 -68.8 -17.5 65.0 50.7 26.8 16 20 A L H <> S+ 0 0 8 -3,-1.3 4,-2.7 -5,-0.2 -1,-0.2 0.855 85.6 61.8 -62.6 -37.7 63.8 53.4 29.1 17 21 A A H <> S+ 0 0 25 -3,-1.0 4,-1.9 -4,-0.4 -1,-0.2 0.912 105.8 45.3 -57.4 -44.1 64.8 56.2 26.8 18 22 A D H X S+ 0 0 110 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.947 113.4 49.2 -63.6 -50.2 62.5 55.0 24.0 19 23 A L H X S+ 0 0 77 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.910 111.3 49.6 -55.7 -46.6 59.6 54.5 26.3 20 24 A F H < S+ 0 0 44 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.876 110.7 50.3 -62.3 -39.8 60.0 58.0 27.8 21 25 A R H < S+ 0 0 175 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.805 109.6 50.6 -67.8 -32.3 60.2 59.6 24.4 22 26 A A H < S+ 0 0 74 -4,-1.9 2,-0.9 -3,-0.2 -1,-0.2 0.622 88.0 95.3 -82.4 -13.5 57.0 57.8 23.3 23 27 A D < - 0 0 18 -4,-0.9 5,-0.1 -3,-0.4 -1,-0.0 -0.699 54.0-174.5 -83.4 104.0 55.2 59.0 26.4 24 28 A E + 0 0 186 -2,-0.9 -1,-0.2 2,-0.0 -4,-0.0 0.492 45.0 115.8 -82.3 -4.0 53.4 62.2 25.3 25 29 A R > - 0 0 94 1,-0.1 3,-0.6 2,-0.1 2,-0.1 -0.424 64.2-128.3 -66.2 137.8 52.1 63.0 28.8 26 30 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.470 86.1 34.3 -83.3 158.9 53.5 66.3 30.3 27 31 A G T 3 S+ 0 0 71 1,-0.2 2,-0.1 -2,-0.1 -2,-0.1 0.687 76.5 154.9 69.2 18.5 55.1 66.4 33.7 28 32 A K < - 0 0 56 -3,-0.6 2,-0.5 -5,-0.1 -1,-0.2 -0.465 36.5-136.9 -71.0 154.9 56.6 62.9 33.4 29 33 A I E -a 367 0A 13 337,-2.6 339,-2.8 -2,-0.1 2,-0.9 -0.969 5.6-148.4-125.2 119.3 59.7 62.5 35.6 30 34 A N E +a 368 0A 37 -2,-0.5 339,-0.1 337,-0.2 337,-0.1 -0.771 36.4 147.6 -95.3 105.0 62.8 60.7 34.3 31 35 A L + 0 0 2 337,-2.0 345,-2.3 -2,-0.9 339,-0.4 -0.062 51.6 90.4-119.7 29.9 64.6 58.8 37.1 32 36 A G S S+ 0 0 0 337,-0.2 338,-0.2 343,-0.2 -18,-0.1 0.844 71.4 41.4 -93.8 -98.7 65.9 56.0 34.9 33 37 A I S S- 0 0 42 -20,-0.2 2,-1.8 1,-0.1 -1,-0.1 -0.246 92.4-105.6 -55.3 138.7 69.2 56.2 33.1 34 38 A G + 0 0 8 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.475 64.0 140.4 -79.8 82.8 71.9 57.7 35.3 35 39 A L - 0 0 35 -2,-1.8 2,-0.6 312,-0.1 211,-0.1 -0.895 54.0-112.7-115.1 151.3 72.6 61.2 34.1 36 40 A Y - 0 0 21 -2,-0.3 2,-0.3 8,-0.1 343,-0.1 -0.746 33.3-170.1 -84.4 121.7 73.2 64.3 36.2 37 41 A Y - 0 0 27 341,-1.7 6,-0.2 -2,-0.6 2,-0.1 -0.834 13.1-136.8-103.1 146.6 70.4 66.8 36.1 38 42 A D > - 0 0 41 4,-2.8 3,-2.7 -2,-0.3 4,-0.1 -0.362 42.6 -81.0 -90.1-178.2 70.6 70.3 37.6 39 43 A E T 3 S+ 0 0 122 1,-0.3 344,-0.4 2,-0.1 -1,-0.0 0.687 129.1 60.8 -57.2 -22.5 67.9 72.1 39.6 40 44 A T T 3 S- 0 0 100 2,-0.1 -1,-0.3 342,-0.1 3,-0.1 0.436 117.1-112.5 -84.3 -0.7 66.2 73.1 36.4 41 45 A G S < S+ 0 0 33 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.709 79.6 117.8 75.7 21.3 65.7 69.4 35.5 42 46 A K - 0 0 151 -4,-0.1 -4,-2.8 0, 0.0 -1,-0.3 -0.764 69.5-122.1-114.1 164.3 68.0 69.6 32.5 43 47 A I - 0 0 67 -2,-0.3 -6,-0.2 -6,-0.2 336,-0.0 -0.860 41.7-161.0-106.0 93.7 71.3 67.8 31.8 44 48 A P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.241 21.0-115.5 -76.9 162.4 73.8 70.7 31.3 45 49 A V - 0 0 75 1,-0.1 204,-0.1 205,-0.1 205,-0.1 -0.843 44.8-108.4 -86.9 132.9 77.1 70.9 29.6 46 50 A L > - 0 0 12 -2,-0.5 4,-2.4 202,-0.5 5,-0.2 -0.268 16.2-128.8 -61.0 145.0 79.7 71.7 32.2 47 51 A T H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 110.8 53.5 -60.8 -44.4 81.2 75.2 32.1 48 52 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 109.0 51.7 -58.4 -38.1 84.8 73.9 32.2 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.947 108.4 48.6 -63.6 -49.3 83.8 71.7 29.2 50 54 A K H X S+ 0 0 121 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.875 111.7 51.1 -57.1 -40.0 82.5 74.6 27.2 51 55 A K H X S+ 0 0 98 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.914 111.1 47.3 -63.9 -43.6 85.7 76.5 27.9 52 56 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.911 110.4 52.8 -63.9 -41.4 87.8 73.6 26.7 53 57 A E H X S+ 0 0 41 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.858 107.8 51.2 -63.4 -37.4 85.7 73.2 23.6 54 58 A Q H X S+ 0 0 115 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.917 109.6 50.4 -64.8 -42.1 86.2 76.9 22.8 55 59 A Y H X S+ 0 0 124 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.920 111.1 48.8 -60.9 -43.2 89.9 76.4 23.2 56 60 A L H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.915 109.7 51.9 -64.2 -42.0 89.8 73.3 20.8 57 61 A L H < S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.902 115.7 41.6 -60.2 -40.5 87.8 75.3 18.2 58 62 A E H < S+ 0 0 127 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.756 127.2 29.3 -77.6 -26.1 90.4 78.1 18.3 59 63 A N H < S+ 0 0 79 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.680 84.9 102.8-117.6 -24.9 93.5 75.9 18.4 60 64 A E < + 0 0 62 -4,-2.8 3,-0.1 -5,-0.2 -4,-0.0 -0.467 35.2 175.4 -62.1 135.2 93.0 72.6 16.7 61 66 A T + 0 0 141 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.365 61.7 28.1-119.9 0.1 94.6 72.5 13.2 62 67 A T - 0 0 85 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.988 45.3-155.5-155.1 156.8 94.0 68.8 12.3 63 68 A K + 0 0 157 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.013 44.7 157.1-117.0 20.3 91.7 65.8 12.8 64 69 A L - 0 0 130 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.167 56.1 -83.3 -42.0 134.4 94.6 63.4 11.9 65 70 A Y - 0 0 198 1,-0.1 -1,-0.1 220,-0.0 3,-0.1 -0.114 43.2-127.0 -45.8 135.1 93.9 59.9 13.4 66 71 A L - 0 0 44 220,-0.3 5,-0.1 -3,-0.1 -1,-0.1 -0.375 36.9 -88.4 -69.2 160.1 94.9 59.4 17.0 67 72 A G > - 0 0 41 3,-0.4 3,-1.7 1,-0.1 -1,-0.1 -0.206 47.5 -98.1 -55.3 163.1 97.2 56.5 17.9 68 73 A I T 3 S+ 0 0 55 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.851 128.6 46.7 -57.7 -35.4 95.3 53.3 18.7 69 74 A D T 3 S- 0 0 44 1,-0.3 30,-2.5 29,-0.1 -1,-0.3 0.344 111.5-132.3 -91.4 4.5 95.6 54.1 22.4 70 75 A G < + 0 0 5 -3,-1.7 -3,-0.4 28,-0.2 -1,-0.3 -0.361 56.2 1.6 88.8-159.0 94.5 57.7 21.9 71 76 A I > - 0 0 29 1,-0.1 4,-1.7 -5,-0.1 3,-0.3 -0.508 58.1-144.0 -73.7 123.3 95.9 61.0 23.2 72 77 A P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 3,-0.1 0.904 100.9 51.4 -55.6 -43.5 99.2 60.5 25.2 73 78 A E H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.856 105.6 56.7 -60.5 -38.0 98.3 63.3 27.7 74 79 A F H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.905 107.7 47.9 -58.2 -44.3 94.9 61.8 28.2 75 80 A G H X S+ 0 0 11 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.913 112.3 48.9 -63.3 -44.2 96.6 58.5 29.3 76 81 A R H X S+ 0 0 131 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.939 112.8 46.2 -63.0 -48.4 99.0 60.3 31.7 77 82 A C H X S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.879 112.2 53.3 -60.6 -39.2 96.2 62.4 33.3 78 83 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.945 107.9 48.3 -60.1 -52.7 94.1 59.2 33.6 79 84 A Q H X S+ 0 0 24 -4,-2.6 4,-2.9 1,-0.2 5,-0.5 0.852 110.5 52.8 -60.1 -35.7 96.9 57.2 35.4 80 85 A E H X S+ 0 0 73 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.936 111.1 46.4 -62.2 -43.3 97.4 60.1 37.8 81 86 A L H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.922 119.3 41.1 -65.1 -43.8 93.7 60.2 38.6 82 87 A L H < S+ 0 0 1 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.933 132.9 17.0 -69.0 -48.6 93.6 56.4 39.1 83 88 A F H < S- 0 0 10 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.578 107.8-105.7-110.5 -15.9 96.8 55.8 40.9 84 89 A G >< - 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0 0 5 -2,-0.2 4,-1.7 1,-0.1 3,-0.3 -0.928 46.0-104.2-138.1 161.7 64.7 68.5 41.9 382 394 A P H > S+ 0 0 57 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.880 122.5 51.0 -47.7 -39.5 62.9 70.7 44.4 383 395 A D H 4 S+ 0 0 139 -344,-0.4 -343,-0.0 1,-0.2 3,-0.0 0.788 116.9 34.7 -76.1 -32.9 60.2 71.1 41.7 384 396 A N H > S+ 0 0 29 -3,-0.3 4,-2.2 2,-0.1 5,-0.2 0.527 95.5 88.1 -99.0 -4.4 59.6 67.5 40.9 385 397 A M H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.925 85.6 50.4 -62.3 -49.2 60.1 66.0 44.4 386 398 A A H X S+ 0 0 38 -4,-0.6 4,-2.6 1,-0.2 5,-0.2 0.966 113.6 44.0 -56.1 -55.2 56.5 66.4 45.6 387 399 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.900 114.9 49.0 -56.9 -42.6 54.9 64.7 42.6 388 400 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.927 113.9 45.7 -69.1 -38.4 57.4 61.8 42.5 389 401 A C H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.856 109.8 53.8 -71.6 -35.9 57.1 61.1 46.2 390 402 A E H X S+ 0 0 102 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.913 110.3 49.6 -60.2 -39.7 53.3 61.3 46.0 391 403 A A H X S+ 0 0 2 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.922 111.0 47.4 -64.8 -46.6 53.6 58.7 43.2 392 404 A I H >X S+ 0 0 6 -4,-2.2 4,-1.2 1,-0.2 3,-1.0 0.949 111.0 51.0 -62.5 -48.7 55.8 56.4 45.3 393 405 A V H >< S+ 0 0 39 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.904 107.2 55.9 -53.5 -42.3 53.6 56.6 48.3 394 407 A A H 3< S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.732 110.1 44.0 -61.4 -28.8 50.6 55.7 46.1 395 408 A V H << 0 0 10 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.609 360.0 360.0 -96.9 -12.5 52.2 52.4 44.9 396 409 A L << 0 0 60 -4,-1.2 -43,-0.0 -3,-0.6 -3,-0.0 -0.189 360.0 360.0 -68.6 360.0 53.6 51.2 48.3