==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-05 2BU5 . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.R.KNOECHEL,A.D.TUCKER,C.M.ROBINSON,C.PHILLIPS,W.TAYLOR, . 355 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 45.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 0 1 1 1 0 0 1 0 1 0 0 1 0 1 0 1 0 1 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 1 1 0 1 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 . 1 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 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 6 A G 0 0 132 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.3 61.4 40.9 101.2 2 7 A S >> + 0 0 41 1,-0.1 4,-2.2 2,-0.1 3,-0.7 0.251 360.0 110.0-117.7 11.6 60.0 44.4 100.6 3 8 A A H 3> S+ 0 0 19 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.922 78.8 53.5 -52.7 -50.0 57.8 43.8 97.5 4 9 A P H 3> S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.818 110.0 51.1 -55.9 -30.7 54.6 44.2 99.4 5 10 A K H <> S+ 0 0 148 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.957 109.1 46.5 -71.4 -54.3 55.9 47.6 100.6 6 11 A Y H X S+ 0 0 71 -4,-2.2 4,-1.9 1,-0.2 5,-0.4 0.911 114.3 49.5 -54.3 -45.8 56.9 48.9 97.2 7 12 A I H X S+ 0 0 9 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.877 109.1 51.9 -62.5 -38.5 53.5 47.8 95.8 8 13 A E H < S+ 0 0 94 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.872 114.7 45.7 -65.7 -35.4 51.8 49.5 98.7 9 14 A H H >< S+ 0 0 83 -4,-2.3 3,-3.1 2,-0.2 4,-0.3 0.992 117.4 35.6 -68.7 -79.3 53.7 52.7 97.9 10 15 A F H >< S+ 0 0 6 -4,-1.9 3,-1.2 1,-0.3 -3,-0.2 0.681 106.1 73.0 -50.1 -22.2 53.5 53.1 94.1 11 16 A S T 3< S+ 0 0 10 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.643 86.5 65.3 -68.2 -15.4 49.9 51.7 94.3 12 17 A K T < S+ 0 0 150 -3,-3.1 -1,-0.3 -4,-0.2 2,-0.2 0.698 91.6 77.8 -79.9 -20.6 48.9 55.1 95.9 13 18 A F S < S- 0 0 83 -3,-1.2 36,-0.0 -4,-0.3 0, 0.0 -0.556 78.9-130.3 -88.8 153.8 49.8 56.9 92.7 14 19 A S - 0 0 74 -2,-0.2 32,-0.1 325,-0.1 31,-0.1 -0.807 30.7-107.2-100.7 142.7 47.5 56.9 89.6 15 20 A P - 0 0 10 0, 0.0 322,-0.1 0, 0.0 27,-0.0 -0.381 30.7-119.4 -68.7 153.4 49.0 56.1 86.2 16 21 A S - 0 0 58 26,-0.0 2,-0.2 -2,-0.0 319,-0.1 -0.781 21.1-143.9 -97.9 98.7 49.5 59.0 83.8 17 22 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 319,-0.0 -0.419 18.7-152.7 -63.7 125.6 47.6 58.5 80.6 18 23 A L - 0 0 28 -2,-0.2 317,-2.8 2,-0.0 2,-0.2 -0.730 5.3-131.8-100.9 149.8 49.6 59.9 77.7 19 24 A S B > -A 334 0A 14 -2,-0.3 4,-0.9 315,-0.3 315,-0.2 -0.551 24.0-114.1 -94.9 164.4 48.2 61.3 74.4 20 25 A M H > S+ 0 0 0 313,-1.9 4,-0.7 310,-0.8 311,-0.1 0.691 114.7 56.5 -73.0 -17.6 49.5 60.3 71.0 21 26 A K H > S+ 0 0 96 309,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.833 101.0 55.3 -82.3 -31.2 50.7 63.8 70.3 22 27 A Q H > S+ 0 0 100 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.810 107.4 52.8 -66.7 -27.7 52.9 63.8 73.5 23 28 A F H < S+ 0 0 17 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.786 104.7 56.0 -73.5 -31.3 54.4 60.6 72.0 24 29 A L H < S+ 0 0 37 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.637 94.6 66.8 -76.5 -19.0 55.1 62.5 68.7 25 30 A D H < 0 0 118 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.939 360.0 360.0 -74.0 -41.3 57.1 65.1 70.3 26 31 A F < 0 0 83 -4,-0.8 5,-0.0 141,-0.1 -3,-0.0 -0.098 360.0 360.0 -62.8 360.0 59.8 62.8 71.3 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 34 A S 0 0 131 0, 0.0 134,-0.1 0, 0.0 133,-0.0 0.000 360.0 360.0 360.0 105.4 66.8 60.5 68.8 29 35 A N + 0 0 109 132,-0.1 133,-0.1 1,-0.0 -3,-0.0 0.797 360.0 150.4 105.3 47.5 67.7 62.3 72.0 30 36 A A S S- 0 0 52 1,-0.1 4,-0.1 3,-0.0 -1,-0.0 -0.270 96.0 -74.2 -90.1 39.1 64.8 64.6 73.0 31 37 A C > - 0 0 34 3,-0.1 4,-0.9 1,-0.1 -1,-0.1 0.929 44.4-156.2 63.1 107.4 66.7 63.4 76.1 32 38 A E H > S+ 0 0 43 2,-0.2 4,-3.9 1,-0.2 5,-0.2 0.569 98.9 69.7 -79.7 -9.2 66.3 59.8 77.2 33 39 A K H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.964 97.1 49.9 -66.3 -50.5 67.3 61.4 80.5 34 40 A T H > S+ 0 0 78 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.820 116.7 41.6 -54.6 -35.3 63.9 63.0 80.4 35 41 A S H X S+ 0 0 13 -4,-0.9 4,-3.6 2,-0.2 5,-0.4 0.942 109.7 56.3 -78.0 -51.7 62.4 59.6 79.7 36 42 A F H X S+ 0 0 0 -4,-3.9 4,-1.7 1,-0.3 -2,-0.2 0.909 109.6 46.4 -44.7 -53.6 64.5 57.6 82.1 37 43 A T H X S+ 0 0 65 -4,-2.6 4,-0.7 2,-0.2 -1,-0.3 0.878 116.3 46.3 -60.9 -37.7 63.4 59.8 85.0 38 44 A F H >X S+ 0 0 73 -4,-0.9 4,-2.5 -5,-0.3 3,-1.2 0.960 112.9 46.6 -68.7 -52.7 59.8 59.6 83.8 39 45 A L H 3X S+ 0 0 6 -4,-3.6 4,-1.5 1,-0.3 -1,-0.2 0.724 100.7 70.4 -62.3 -23.3 59.7 55.8 83.3 40 46 A R H 3< S+ 0 0 44 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.841 114.0 25.1 -62.5 -36.1 61.4 55.3 86.7 41 47 A Q H S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.881 112.4 50.6 -60.8 -38.8 56.5 51.1 89.0 45 51 A V H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.908 115.4 41.9 -65.4 -42.5 53.2 53.0 89.4 46 52 A R H X S+ 0 0 6 -4,-2.9 4,-1.9 2,-0.2 5,-0.2 0.920 116.0 48.3 -72.4 -43.0 51.6 51.0 86.6 47 53 A L H X S+ 0 0 6 -4,-3.4 4,-2.4 -5,-0.3 -2,-0.2 0.922 113.6 48.6 -61.7 -42.9 53.1 47.7 87.6 48 54 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.858 107.5 53.4 -66.9 -39.8 52.0 48.3 91.2 49 55 A N H X S+ 0 0 7 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.940 114.8 40.4 -63.8 -45.9 48.4 49.2 90.4 50 56 A I H X S+ 0 0 8 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.912 116.7 50.7 -69.5 -37.3 47.8 46.0 88.4 51 57 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.856 108.3 53.6 -65.7 -32.5 49.8 44.0 91.0 52 58 A K H < S+ 0 0 41 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.846 108.3 49.2 -69.9 -34.9 47.7 45.6 93.7 53 59 A E H >< S+ 0 0 7 -4,-1.5 3,-0.7 2,-0.2 -2,-0.2 0.845 108.5 52.6 -74.5 -35.0 44.5 44.5 92.0 54 60 A I H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.987 101.2 59.7 -62.7 -57.4 45.6 40.9 91.5 55 61 A N T 3< S+ 0 0 75 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.645 102.4 58.5 -45.4 -17.6 46.5 40.5 95.2 56 62 A L T < S+ 0 0 79 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 -0.011 84.5 94.5-108.5 30.4 42.8 41.2 95.9 57 63 A L S < S- 0 0 14 -3,-2.0 5,-0.3 1,-0.2 -3,-0.0 -0.874 93.4 -60.5-115.9 152.1 41.1 38.5 93.9 58 64 A P >> - 0 0 57 0, 0.0 4,-2.6 0, 0.0 3,-1.1 0.154 40.4-130.0 -29.7 135.8 40.0 35.1 95.3 59 65 A D H 3> S+ 0 0 110 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.644 109.4 69.4 -67.3 -12.6 42.9 33.0 96.8 60 66 A R H 34 S+ 0 0 105 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.869 108.1 34.6 -70.2 -37.6 41.4 30.2 94.6 61 67 A V H X4 S+ 0 0 38 -3,-1.1 3,-1.0 2,-0.1 6,-0.3 0.876 117.2 55.3 -82.3 -41.8 42.6 32.2 91.6 62 68 A L H 3< S+ 0 0 34 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.911 101.5 56.6 -57.1 -48.3 45.8 33.5 93.4 63 69 A S T 3< S+ 0 0 63 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.1 0.581 80.9 108.6 -64.5 -13.1 47.1 30.0 94.4 64 70 A T S <> S- 0 0 30 -3,-1.0 4,-2.4 -4,-0.2 5,-0.3 -0.399 78.3-123.7 -68.3 142.6 47.2 28.7 90.8 65 71 A P H > S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.848 109.5 56.4 -52.5 -35.7 50.7 28.2 89.3 66 72 A S H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.985 110.1 39.0 -60.9 -64.5 49.6 30.5 86.4 67 73 A V H > S+ 0 0 8 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.850 121.0 46.1 -57.4 -37.2 48.6 33.6 88.4 68 74 A Q H X S+ 0 0 112 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.802 109.0 56.4 -76.6 -28.6 51.5 33.1 90.8 69 75 A L H X S+ 0 0 66 -4,-2.0 4,-0.7 -5,-0.3 -2,-0.2 0.951 116.6 33.9 -67.0 -48.0 53.9 32.5 88.0 70 76 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.849 113.8 60.3 -75.4 -32.7 53.0 35.9 86.3 71 77 A Q H X S+ 0 0 23 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.788 107.0 47.6 -62.8 -26.9 52.5 37.5 89.7 72 78 A S H X S+ 0 0 60 -4,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.688 106.2 58.4 -86.7 -19.9 56.1 36.6 90.4 73 79 A W H X S+ 0 0 53 -4,-0.7 4,-1.9 -3,-0.4 -2,-0.2 0.895 108.1 44.6 -73.4 -41.4 57.2 38.0 87.0 74 80 A Y H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.902 109.3 56.4 -69.3 -39.6 55.8 41.5 87.8 75 81 A V H X S+ 0 0 34 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.923 111.3 44.3 -57.1 -43.9 57.3 41.4 91.3 76 82 A Q H X S+ 0 0 94 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.842 112.8 50.1 -70.5 -34.9 60.7 40.8 89.7 77 83 A S H X S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.875 109.4 52.5 -70.4 -36.8 60.1 43.5 87.0 78 84 A L H >X S+ 0 0 0 -4,-3.0 4,-1.0 2,-0.2 3,-0.9 0.948 114.7 40.7 -62.3 -48.8 59.1 45.9 89.7 79 85 A L H >X S+ 0 0 44 -4,-2.0 4,-1.2 1,-0.2 3,-0.5 0.881 106.9 66.2 -65.4 -38.4 62.3 45.2 91.7 80 86 A D H 3< S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.737 109.8 36.2 -54.3 -26.7 64.2 45.2 88.4 81 87 A I H X< S+ 0 0 3 -3,-0.9 3,-1.0 -4,-0.9 -1,-0.3 0.588 98.0 77.7-105.5 -13.5 63.4 48.9 87.9 82 88 A M H X< S+ 0 0 12 -4,-1.0 3,-3.8 -3,-0.5 4,-0.4 0.937 79.3 75.8 -58.3 -45.3 63.7 50.0 91.6 83 89 A E G >< S+ 0 0 120 -4,-1.2 3,-0.6 1,-0.3 -1,-0.2 0.751 92.8 52.4 -33.8 -41.4 67.5 49.9 91.2 84 90 A F G < S+ 0 0 16 -3,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.460 80.4 93.2 -83.0 -2.4 67.4 53.2 89.2 85 91 A L G < S+ 0 0 67 -3,-3.8 -1,-0.2 1,-0.2 -2,-0.1 0.833 98.2 30.9 -61.0 -34.3 65.4 55.2 91.8 86 92 A D S < S+ 0 0 117 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.491 99.4 108.2-101.2 -6.4 68.5 56.6 93.5 87 93 A K - 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