==== 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 16-SEP-93 1ASL . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.JAEGER,J.N.JANSONIUS . 794 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 65 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 1 1 3 2 6 1 3 0 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 3 2 2 2 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 2 2 0 0 3 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 . 6 0 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 5 A M 0 0 45 0, 0.0 515,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -19.6 -15.3 27.7 41.6 2 6 A F > + 0 0 0 1,-0.1 3,-1.9 2,-0.1 657,-0.0 0.504 360.0 94.8-104.3 -6.3 -16.6 30.4 39.3 3 7 A E T 3 S+ 0 0 125 1,-0.3 -1,-0.1 664,-0.0 664,-0.0 0.731 86.7 46.6 -48.3 -36.8 -20.1 30.2 40.8 4 8 A N T 3 S+ 0 0 95 -3,-0.1 -1,-0.3 510,-0.1 -2,-0.1 0.441 83.4 123.0 -89.0 -7.6 -19.4 33.1 43.1 5 9 A I < - 0 0 5 -3,-1.9 2,-0.5 1,-0.1 663,-0.1 -0.337 56.3-133.9 -68.2 132.1 -17.8 35.3 40.5 6 10 A T - 0 0 99 -2,-0.1 2,-0.3 662,-0.1 -1,-0.1 -0.771 20.4-111.3 -90.6 138.8 -19.4 38.7 40.1 7 11 A A - 0 0 60 -2,-0.5 661,-0.1 1,-0.1 660,-0.1 -0.442 35.7-123.0 -67.3 122.0 -20.1 40.2 36.7 8 12 A A - 0 0 21 659,-0.5 2,-0.1 -2,-0.3 -1,-0.1 -0.269 25.2-106.6 -66.2 145.0 -17.9 43.1 35.9 9 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 665,-0.0 -0.478 45.2 -96.6 -71.6 146.2 -19.4 46.6 35.1 10 14 A A - 0 0 81 -2,-0.1 5,-0.1 1,-0.1 660,-0.0 -0.318 43.8 -96.3 -67.5 143.8 -19.2 47.5 31.5 11 15 A D > - 0 0 38 1,-0.1 4,-1.0 3,-0.1 -1,-0.1 -0.402 29.0-132.1 -59.1 129.6 -16.3 49.7 30.4 12 16 A P T 4 S+ 0 0 68 0, 0.0 359,-0.4 0, 0.0 -1,-0.1 0.823 104.8 23.7 -52.4 -36.6 -17.5 53.3 30.3 13 17 A I T >> S+ 0 0 1 357,-0.1 3,-2.1 2,-0.1 4,-0.9 0.884 125.5 45.9 -92.0 -69.3 -15.9 53.7 26.9 14 18 A L T 34 S+ 0 0 22 1,-0.3 4,-0.2 2,-0.2 451,-0.1 0.345 108.8 57.6 -61.8 6.8 -15.7 50.2 25.4 15 19 A G T 3X S+ 0 0 10 -4,-1.0 4,-0.9 2,-0.2 -1,-0.3 0.332 92.1 65.1-119.6 -2.6 -19.2 49.2 26.4 16 20 A L H <> S+ 0 0 10 -3,-2.1 4,-3.4 2,-0.2 5,-0.2 0.785 96.4 62.5 -78.2 -38.6 -20.8 52.0 24.5 17 21 A A H X S+ 0 0 16 -4,-0.9 4,-1.5 1,-0.3 -2,-0.2 0.807 107.0 40.1 -54.0 -38.3 -19.4 50.2 21.6 18 22 A D H > S+ 0 0 81 -4,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.852 114.4 55.9 -78.6 -36.1 -21.6 47.1 22.4 19 23 A L H < S+ 0 0 71 -4,-0.9 -2,-0.2 1,-0.2 4,-0.2 0.899 109.7 44.5 -59.5 -41.9 -24.4 49.5 23.2 20 24 A F H >< S+ 0 0 38 -4,-3.4 3,-1.0 2,-0.2 -1,-0.2 0.884 110.4 53.6 -70.5 -44.7 -24.2 51.1 19.8 21 25 A R H 3< S+ 0 0 153 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.882 108.9 48.3 -59.8 -42.2 -23.9 47.9 17.8 22 26 A A T 3< S+ 0 0 79 -4,-2.1 2,-0.5 -5,-0.1 -1,-0.3 0.563 90.7 107.1 -76.6 -5.7 -27.0 46.4 19.4 23 27 A D < - 0 0 28 -3,-1.0 5,-0.1 -4,-0.2 -3,-0.0 -0.641 50.2-170.8 -81.0 125.7 -28.8 49.7 18.7 24 28 A E + 0 0 173 -2,-0.5 -1,-0.1 0, 0.0 -4,-0.0 0.554 45.9 115.1 -91.4 -17.9 -31.3 49.4 15.8 25 29 A R > - 0 0 187 1,-0.1 3,-0.8 2,-0.1 -2,-0.0 -0.464 59.1-145.1 -61.5 127.6 -32.2 53.0 15.2 26 30 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.880 92.6 48.3 -58.9 -53.5 -31.0 53.8 11.6 27 31 A G T 3 S+ 0 0 63 2,-0.0 -2,-0.1 360,-0.0 0, 0.0 0.210 84.0 142.4 -81.6 19.1 -30.0 57.5 12.0 28 32 A K < - 0 0 59 -3,-0.8 2,-0.3 -5,-0.1 339,-0.2 -0.179 35.9-155.5 -60.5 143.9 -28.0 56.6 15.1 29 33 A I E -a 367 0A 12 337,-2.3 339,-0.9 336,-0.3 2,-0.4 -0.888 4.7-149.5-122.5 157.0 -24.7 58.4 15.7 30 34 A N E +a 368 0A 31 -2,-0.3 339,-0.1 349,-0.3 337,-0.1 -0.771 28.1 158.5-137.5 100.3 -21.7 57.3 17.7 31 35 A L + 0 0 0 337,-2.2 345,-0.9 -2,-0.4 339,-0.3 0.094 53.2 105.2 -99.7 18.3 -19.4 59.8 19.3 32 36 A G + 0 0 0 337,-0.2 338,-0.2 343,-0.1 -18,-0.1 0.932 62.9 34.4 -64.2-113.1 -18.2 57.2 21.7 33 37 A I S S- 0 0 28 -20,-0.3 2,-1.4 1,-0.1 343,-0.0 -0.023 84.6-107.8 -46.0 151.7 -14.8 55.6 21.4 34 38 A G + 0 0 0 761,-1.6 2,-0.5 2,-0.0 -1,-0.1 -0.311 67.4 132.6 -92.0 64.1 -11.8 57.6 20.2 35 39 A V - 0 0 7 -2,-1.4 211,-0.1 760,-0.1 2,-0.0 -0.913 56.8-113.6-112.9 126.6 -11.2 56.2 16.8 36 40 A Y - 0 0 18 -2,-0.5 2,-0.3 210,-0.1 343,-0.1 -0.255 30.6-166.0 -60.5 149.1 -10.8 58.6 13.8 37 41 A K - 0 0 46 341,-1.3 2,-0.2 6,-0.1 6,-0.2 -0.852 10.2-134.5-133.3 159.2 -13.3 58.9 11.0 38 42 A D > - 0 0 29 4,-0.7 3,-3.4 -2,-0.3 4,-0.0 -0.737 44.3 -83.6-112.6 169.9 -13.4 60.5 7.4 39 43 A E T 3 S+ 0 0 116 1,-0.3 344,-0.4 -2,-0.2 -1,-0.0 0.757 136.2 43.0 -35.1 -35.2 -16.0 62.6 5.6 40 44 A T T 3 S- 0 0 95 2,-0.1 -1,-0.3 342,-0.1 341,-0.1 0.638 120.8-114.2 -87.2 -24.5 -17.7 59.4 4.7 41 45 A G < + 0 0 32 -3,-3.4 2,-0.3 1,-0.3 -2,-0.1 0.949 66.7 128.6 89.8 56.5 -17.2 58.0 8.2 42 46 A K - 0 0 137 -4,-0.0 -4,-0.7 2,-0.0 -1,-0.3 -0.939 59.4-129.2-135.3 158.3 -14.9 55.0 7.9 43 47 A T - 0 0 15 -2,-0.3 417,-1.1 -6,-0.2 418,-0.5 -0.542 42.9-168.9-109.8 73.2 -11.8 54.1 9.7 44 48 A P - 0 0 42 0, 0.0 2,-0.9 0, 0.0 415,-0.2 0.021 29.5-107.2 -60.7 157.9 -9.7 53.5 6.6 45 49 A V - 0 0 15 413,-0.3 5,-0.2 412,-0.2 204,-0.1 -0.813 46.7-114.3 -87.6 104.8 -6.4 51.9 6.5 46 50 A L > - 0 0 17 -2,-0.9 4,-1.6 202,-0.1 5,-0.1 -0.007 21.2-120.5 -31.6 150.6 -4.1 54.8 5.7 47 51 A T H > S+ 0 0 83 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.963 110.2 51.5 -67.5 -59.3 -2.3 54.6 2.3 48 52 A S H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.768 109.8 58.1 -49.0 -27.3 1.4 54.6 3.2 49 53 A V H > S+ 0 0 1 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.958 105.8 44.1 -69.5 -52.1 0.2 51.7 5.5 50 54 A K H X S+ 0 0 48 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.956 113.6 54.1 -58.1 -42.2 -1.2 49.5 2.6 51 55 A K H X S+ 0 0 121 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.861 111.5 43.5 -60.8 -35.1 2.0 50.4 0.7 52 56 A A H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.3 -1,-0.2 0.874 109.1 56.0 -79.7 -34.3 4.1 49.1 3.6 53 57 A E H X S+ 0 0 10 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.829 107.2 52.2 -65.9 -29.7 2.0 46.1 4.2 54 58 A Q H X S+ 0 0 98 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.940 107.5 50.0 -71.3 -43.7 2.7 45.3 0.5 55 59 A Y H >X S+ 0 0 127 -4,-1.7 4,-2.9 1,-0.2 3,-0.7 0.978 112.5 48.7 -54.6 -54.8 6.4 45.6 1.0 56 60 A L H 3X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.3 -2,-0.2 0.915 106.7 54.4 -53.9 -46.5 6.2 43.3 4.0 57 61 A L H 3< S+ 0 0 19 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.869 118.2 37.0 -54.4 -39.5 4.1 40.7 2.2 58 62 A E H << S+ 0 0 134 -4,-2.0 -2,-0.2 -3,-0.7 -1,-0.2 0.982 124.0 36.7 -75.5 -60.9 6.8 40.6 -0.5 59 63 A N H < S+ 0 0 84 -4,-2.9 2,-0.8 -5,-0.2 -2,-0.2 0.474 88.1 99.8 -78.9 -8.7 9.9 41.0 1.4 60 64 A E < + 0 0 25 -4,-2.6 382,-0.1 -5,-0.3 3,-0.1 -0.752 36.8 174.1 -93.2 119.1 9.3 39.1 4.6 61 66 A T + 0 0 108 -2,-0.8 381,-0.7 1,-0.1 2,-0.4 0.512 60.7 38.8 -89.6 -14.0 10.8 35.7 4.6 62 67 A T - 0 0 48 379,-0.2 -1,-0.1 1,-0.1 380,-0.1 -0.988 40.9-163.0-154.6 156.8 9.9 34.8 8.2 63 68 A K + 0 0 0 377,-0.4 586,-1.6 -2,-0.4 587,-0.2 0.332 49.3 144.6-103.7 -0.6 7.7 34.9 11.2 64 69 A N - 0 0 64 376,-0.5 -2,-0.1 584,-0.2 378,-0.0 0.039 60.7 -74.9 -41.9 146.8 10.4 34.0 13.8 65 70 A Y - 0 0 26 1,-0.1 -1,-0.1 583,-0.0 584,-0.1 -0.038 39.4-135.9 -53.3 134.6 10.2 35.6 17.3 66 71 A L - 0 0 32 220,-0.3 2,-0.1 582,-0.2 5,-0.1 -0.315 38.8 -91.3 -75.9 178.0 11.1 39.2 17.8 67 72 A G B > -B 70 0B 26 3,-0.6 3,-3.5 1,-0.1 -1,-0.1 -0.496 44.6 -93.2 -86.3 165.7 13.2 39.9 20.8 68 73 A I T 3 S+ 0 0 19 1,-0.3 3,-0.1 217,-0.2 -1,-0.1 0.832 130.7 43.1 -44.2 -46.3 11.6 40.7 24.1 69 74 A D T 3 S- 0 0 54 1,-0.3 30,-1.9 29,-0.1 -1,-0.3 0.360 109.3-139.2 -84.0 3.9 11.9 44.4 23.4 70 75 A G B < +B 67 0B 7 -3,-3.5 -3,-0.6 28,-0.2 -1,-0.3 -0.473 55.4 6.6 79.7-143.5 10.7 43.9 19.8 71 76 A I >> - 0 0 18 -2,-0.2 4,-2.1 1,-0.1 3,-0.6 -0.748 55.4-150.0 -90.2 120.4 12.2 45.6 16.6 72 77 A P H 3> S+ 0 0 62 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.760 96.7 50.1 -49.6 -49.2 15.3 47.8 17.0 73 78 A E H 3> S+ 0 0 101 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.905 107.7 54.6 -67.0 -37.6 14.6 50.2 14.3 74 79 A F H <> S+ 0 0 2 -3,-0.6 4,-3.2 2,-0.2 -1,-0.2 0.987 111.8 46.0 -55.9 -53.6 11.1 50.7 15.6 75 80 A G H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.936 113.7 46.0 -50.8 -58.3 12.7 51.6 18.9 76 81 A R H X S+ 0 0 167 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.879 114.9 49.3 -56.2 -37.6 15.3 54.0 17.5 77 82 A C H X S+ 0 0 19 -4,-3.0 4,-1.6 -5,-0.2 3,-0.4 0.921 107.1 54.4 -70.5 -40.8 12.7 55.6 15.3 78 83 A T H X S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.3 -1,-0.2 0.911 104.8 56.1 -58.5 -41.7 10.3 56.0 18.2 79 84 A Q H X>S+ 0 0 26 -4,-2.0 4,-2.9 1,-0.3 5,-0.8 0.833 107.3 45.8 -63.1 -35.0 13.0 57.9 20.2 80 85 A E H <5S+ 0 0 60 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.828 110.0 57.2 -77.8 -24.9 13.6 60.5 17.5 81 86 A L H <5S+ 0 0 2 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.923 121.4 26.9 -66.7 -40.4 9.8 60.8 17.4 82 87 A L H <5S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.934 135.8 23.4 -83.8 -54.4 9.7 61.6 21.1 83 88 A F T <5S- 0 0 10 -4,-2.9 -3,-0.2 1,-0.2 2,-0.2 0.872 105.3 -90.9 -88.8 -49.8 13.1 63.2 21.8 84 89 A G > < - 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