==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-SEP-04 1XH4 . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.B.BREITENLECHNER,W.-G.FRIEBE,E.BRUNET,G.WERNER,K.GRAUL, . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 2 0 1 0 2 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 0 1 0 1 2 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 . 1 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 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 14 A S > 0 0 133 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.2 28.6 4.9 9.9 2 15 A V H > + 0 0 85 2,-0.2 4,-1.9 1,-0.1 3,-0.3 0.967 360.0 46.8 -61.8 -52.8 25.2 6.3 10.3 3 16 A K H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.811 112.0 50.1 -53.6 -37.7 24.3 2.6 10.7 4 17 A E H > S+ 0 0 65 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.850 108.3 51.1 -73.0 -38.0 27.2 2.1 13.1 5 18 A F H X S+ 0 0 76 -4,-1.8 4,-2.4 -3,-0.3 -2,-0.2 0.873 110.3 50.8 -63.5 -40.3 26.3 5.1 15.4 6 19 A L H X S+ 0 0 34 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.862 107.0 51.7 -70.3 -35.7 22.7 3.8 15.7 7 20 A A H X S+ 0 0 61 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.907 114.0 45.3 -68.1 -38.5 23.7 0.2 16.7 8 21 A K H X S+ 0 0 68 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.941 112.4 48.6 -66.5 -48.3 26.0 1.6 19.5 9 22 A A H X S+ 0 0 11 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.799 109.6 56.6 -64.5 -25.7 23.4 4.2 20.7 10 23 A K H X S+ 0 0 93 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.900 105.6 48.0 -69.4 -44.2 20.9 1.2 20.7 11 24 A E H X S+ 0 0 141 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.903 112.6 50.7 -62.5 -39.9 23.1 -0.9 23.1 12 25 A D H X S+ 0 0 92 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.847 112.2 46.6 -66.8 -35.9 23.4 2.2 25.3 13 26 A F H X S+ 0 0 1 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.926 109.5 51.6 -70.5 -46.3 19.7 2.7 25.4 14 27 A L H X S+ 0 0 56 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.865 104.8 56.8 -65.2 -34.8 18.6 -0.9 26.1 15 28 A K H X S+ 0 0 92 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.953 116.6 35.5 -57.6 -49.5 21.0 -1.2 29.1 16 29 A K H < S+ 0 0 106 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.821 114.7 57.7 -73.0 -35.7 19.3 1.8 30.8 17 30 A W H < S+ 0 0 23 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.883 112.2 40.2 -62.4 -41.0 15.9 0.9 29.4 18 31 A E H < S+ 0 0 129 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.745 129.2 30.7 -82.3 -21.8 16.1 -2.5 31.1 19 32 A N S < S- 0 0 134 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 -0.486 86.1-162.5-138.7 70.7 17.7 -1.2 34.3 20 33 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.185 25.1-108.1 -59.7 135.3 16.5 2.4 34.9 21 34 A A - 0 0 51 59,-0.1 2,-0.3 62,-0.1 3,-0.1 -0.440 43.5-173.0 -53.9 129.0 18.2 4.8 37.2 22 35 A Q - 0 0 95 -2,-0.2 75,-0.1 1,-0.2 315,-0.1 -0.981 51.8 -1.8-133.4 137.7 16.1 5.3 40.4 23 36 A N + 0 0 117 -2,-0.3 74,-0.2 1,-0.1 -1,-0.2 0.902 65.9 153.9 51.7 57.5 16.3 7.7 43.5 24 37 A T + 0 0 67 72,-2.0 2,-0.3 -3,-0.1 73,-0.1 0.208 64.5 12.3-101.4 11.7 19.6 9.5 42.6 25 38 A A - 0 0 8 71,-0.5 2,-0.3 73,-0.1 73,-0.2 -0.930 66.2-129.2-163.2-171.9 18.7 12.6 44.5 26 39 A H > - 0 0 86 -2,-0.3 3,-1.8 71,-0.1 4,-0.1 -0.983 29.2-110.1-149.6 149.3 16.4 14.2 47.1 27 40 A L G > S+ 0 0 17 -2,-0.3 3,-1.8 1,-0.3 -1,-0.0 0.800 110.5 60.3 -50.0 -41.6 14.3 17.4 47.3 28 41 A D G 3 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.509 88.2 71.8 -81.0 1.4 16.4 19.2 49.9 29 42 A Q G < S+ 0 0 54 -3,-1.8 21,-2.0 20,-0.1 22,-0.4 0.454 97.3 66.3 -79.8 -4.8 19.4 19.2 47.7 30 43 A F E < -A 49 0A 6 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.963 67.6-149.0-126.2 137.8 17.6 21.8 45.6 31 44 A E E -A 48 0A 100 17,-2.2 17,-2.7 -2,-0.4 2,-0.5 -0.910 24.5-137.6 -96.2 127.6 16.6 25.4 46.1 32 45 A R E +A 47 0A 84 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.797 30.8 167.4 -88.9 123.9 13.4 26.2 44.1 33 46 A I E - 0 0 71 13,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.865 51.8 -12.4-104.3 -57.4 13.7 29.5 42.5 34 47 A K E -A 46 0A 48 12,-1.2 12,-2.7 285,-0.0 2,-0.4 -0.999 59.9-106.6-157.0 144.7 11.0 30.1 39.9 35 48 A T E +A 45 0A 1 -2,-0.3 282,-0.3 282,-0.3 10,-0.3 -0.659 27.5 178.6 -77.9 126.8 8.3 28.4 37.8 36 49 A L E - 0 0 8 8,-2.9 2,-0.3 -2,-0.4 279,-0.3 0.513 64.3 -18.8 -99.6 -12.1 9.2 28.0 34.1 37 50 A G E -A 44 0A 9 7,-0.9 7,-2.3 277,-0.1 -1,-0.3 -0.926 59.0-136.4 172.6 160.3 6.1 26.1 32.9 38 51 A T E +A 43 0A 85 -2,-0.3 5,-0.3 5,-0.3 2,-0.3 -0.873 13.4 177.1-131.4 164.7 3.1 24.1 33.9 39 52 A G E > -A 42 0A 48 3,-2.1 3,-1.7 -2,-0.3 -2,-0.0 -0.941 53.0 -72.0-154.8-175.2 1.0 21.0 33.0 40 53 A S T 3 S+ 0 0 85 -2,-0.3 3,-0.0 1,-0.3 21,-0.0 0.790 127.9 31.9 -51.4 -38.6 -2.0 19.0 34.3 41 54 A F T 3 S- 0 0 23 25,-0.0 21,-3.3 24,-0.0 2,-0.3 0.271 127.7 -55.6-108.3 8.7 -0.1 17.5 37.3 42 55 A G E < -AB 39 61A 22 -3,-1.7 -3,-2.1 19,-0.2 2,-0.3 -0.916 61.8 -73.4 159.2-128.6 2.4 20.3 38.3 43 56 A R E -AB 38 60A 29 17,-1.7 17,-3.0 -2,-0.3 2,-0.5 -0.969 22.3-115.8-166.4 158.1 5.2 22.4 36.9 44 57 A V E -AB 37 59A 29 -7,-2.3 -8,-2.9 -2,-0.3 -7,-0.9 -0.987 39.8-168.3-110.7 127.6 8.8 22.7 35.8 45 58 A M E -AB 35 58A 7 13,-3.0 13,-2.9 -2,-0.5 2,-0.3 -0.928 28.0-116.3-122.0 140.9 10.9 25.0 38.0 46 59 A L E -AB 34 57A 0 -12,-2.7 -13,-2.4 -2,-0.4 -12,-1.2 -0.602 46.3-178.9 -60.4 127.4 14.3 26.6 37.8 47 60 A V E -AB 32 56A 0 9,-2.8 9,-2.2 -2,-0.3 2,-0.5 -0.901 25.9-135.5-127.0 160.4 16.2 25.0 40.7 48 61 A K E -AB 31 55A 84 -17,-2.7 -17,-2.2 -2,-0.3 2,-0.7 -0.978 15.7-138.1-116.2 115.1 19.7 25.4 42.2 49 62 A H E >>> -AB 30 54A 14 5,-3.0 4,-2.6 -2,-0.5 5,-0.7 -0.687 20.5-154.3 -62.2 106.7 21.7 22.2 43.1 50 63 A M T 345S+ 0 0 124 -21,-2.0 -1,-0.1 -2,-0.7 -20,-0.1 0.748 85.0 56.2 -65.2 -28.1 23.2 23.6 46.5 51 64 A E T 345S+ 0 0 111 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.857 125.9 18.7 -79.0 -29.3 26.2 21.3 46.6 52 65 A T T <45S- 0 0 82 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.616 95.7-123.8-108.6 -17.2 27.6 22.5 43.2 53 66 A G T <5 + 0 0 35 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.579 59.9 151.2 72.7 14.7 25.7 25.7 42.5 54 67 A N E < -B 49 0A 74 -5,-0.7 -5,-3.0 -6,-0.1 2,-0.4 -0.547 43.0-131.8 -78.1 138.4 24.4 24.3 39.2 55 68 A H E +B 48 0A 44 -2,-0.3 54,-0.7 -7,-0.2 2,-0.3 -0.713 32.5 168.7 -85.5 139.4 21.1 25.4 37.8 56 69 A Y E -BC 47 108A 23 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.5 -0.896 36.3-116.8-136.2 169.7 18.6 22.7 36.6 57 70 A A E -BC 46 107A 7 50,-2.8 50,-3.7 -2,-0.3 2,-0.5 -0.974 31.7-161.4-111.0 120.1 15.0 22.4 35.5 58 71 A M E -BC 45 106A 0 -13,-2.9 -13,-3.0 -2,-0.5 2,-0.5 -0.914 6.8-151.5-111.9 120.0 13.0 20.3 37.9 59 72 A K E -BC 44 105A 20 46,-3.5 46,-1.7 -2,-0.5 2,-0.4 -0.794 12.1-165.1 -85.4 129.2 9.6 18.8 36.9 60 73 A I E -BC 43 104A 8 -17,-3.0 -17,-1.7 -2,-0.5 2,-0.4 -0.980 5.7-174.4-117.0 126.0 7.3 18.2 39.9 61 74 A L E -BC 42 103A 12 42,-2.3 42,-2.3 -2,-0.4 2,-0.8 -0.981 23.7-134.2-126.2 127.2 4.3 16.0 39.4 62 75 A D E >> - C 0 102A 42 -21,-3.3 4,-1.7 -2,-0.4 3,-0.6 -0.641 15.4-152.4 -78.8 109.0 1.5 15.4 42.0 63 76 A K H 3> S+ 0 0 3 38,-1.8 4,-2.0 -2,-0.8 5,-0.2 0.855 91.9 54.6 -53.8 -39.8 1.0 11.6 42.0 64 77 A Q H 3> S+ 0 0 77 37,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.893 108.3 49.5 -63.4 -39.3 -2.7 11.8 43.1 65 78 A K H <> S+ 0 0 94 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.844 107.1 55.6 -62.4 -36.1 -3.5 14.1 40.2 66 79 A V H <>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 -2,-0.2 0.943 111.8 43.4 -61.7 -45.7 -1.8 11.6 37.8 67 80 A V H ><5S+ 0 0 51 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.890 106.9 58.4 -67.2 -44.5 -4.1 8.8 39.0 68 81 A K H 3<5S+ 0 0 191 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.853 112.2 43.2 -57.9 -32.3 -7.2 10.9 39.0 69 82 A L T 3<5S- 0 0 70 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.447 112.2-120.9 -92.8 3.5 -6.5 11.5 35.3 70 83 A K T < 5S+ 0 0 165 -3,-1.7 -3,-0.2 -4,-0.2 3,-0.1 0.858 74.6 125.9 59.4 42.6 -5.6 7.8 34.6 71 84 A Q >< + 0 0 9 -5,-2.3 4,-2.1 1,-0.1 5,-0.2 -0.009 21.4 117.5-118.1 28.6 -2.1 8.7 33.3 72 85 A I H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.954 79.9 46.1 -60.7 -49.5 0.1 6.6 35.6 73 86 A E H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.837 109.4 53.2 -70.4 -34.6 1.5 4.6 32.7 74 87 A H H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 109.6 49.5 -70.3 -38.0 2.3 7.7 30.5 75 88 A T H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.871 110.9 49.4 -66.5 -31.3 4.2 9.3 33.4 76 89 A L H X S+ 0 0 10 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.900 110.9 50.4 -72.8 -37.2 6.2 6.1 33.9 77 90 A N H X S+ 0 0 17 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.947 108.3 54.0 -58.4 -49.6 6.9 6.0 30.1 78 91 A E H X S+ 0 0 9 -4,-2.5 4,-2.4 95,-0.3 -2,-0.2 0.919 114.4 38.4 -54.7 -53.6 8.0 9.6 30.3 79 92 A K H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.867 116.0 51.0 -69.6 -38.2 10.6 9.0 33.1 80 93 A R H X S+ 0 0 57 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.891 116.3 40.6 -67.6 -39.1 11.8 5.6 31.8 81 94 A I H >X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 3,-1.2 0.952 114.5 52.2 -73.1 -49.2 12.5 6.9 28.3 82 95 A L H >< S+ 0 0 5 -4,-2.4 3,-0.7 -5,-0.3 11,-0.4 0.913 107.7 50.6 -56.2 -46.6 13.9 10.2 29.4 83 96 A Q H 3< S+ 0 0 20 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.707 114.6 48.0 -64.8 -19.1 16.5 8.5 31.8 84 97 A A H << S+ 0 0 3 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.601 92.6 85.8 -99.2 -17.4 17.6 6.2 28.9 85 98 A V << + 0 0 16 -4,-1.4 2,-0.2 -3,-0.7 8,-0.2 -0.385 44.3 179.1 -89.4 166.6 18.1 8.6 25.9 86 99 A N + 0 0 109 -2,-0.1 5,-0.1 6,-0.1 -73,-0.1 -0.750 23.4 129.8-168.3 106.6 21.1 10.5 24.9 87 100 A F > - 0 0 13 3,-0.4 3,-1.9 -2,-0.2 53,-0.0 -0.934 63.6-106.6-162.0 149.5 21.3 12.7 21.9 88 101 A P T 3 S+ 0 0 34 0, 0.0 4,-0.1 0, 0.0 78,-0.0 0.723 117.2 44.6 -61.2 -21.6 22.4 16.4 21.5 89 102 A F T 3 S+ 0 0 0 47,-0.1 80,-2.8 79,-0.1 2,-0.5 0.215 93.6 90.7-111.5 13.6 18.9 17.7 21.0 90 103 A L B < S-e 169 0B 7 -3,-1.9 -3,-0.4 78,-0.2 80,-0.1 -0.947 86.0-112.1-103.8 133.7 17.2 15.8 23.8 91 104 A V - 0 0 3 78,-1.9 2,-0.4 -2,-0.5 -2,-0.1 -0.371 37.9-122.5 -64.3 136.2 17.1 17.5 27.2 92 105 A K - 0 0 117 -4,-0.1 16,-2.3 -2,-0.1 2,-0.5 -0.709 11.9-139.0-100.4 131.3 19.3 15.6 29.5 93 106 A L E +D 107 0A 29 -2,-0.4 14,-0.3 -11,-0.4 3,-0.1 -0.722 21.1 176.5 -85.8 125.2 18.0 14.1 32.7 94 107 A E E - 0 0 64 12,-2.6 2,-0.3 -2,-0.5 13,-0.2 0.838 63.9 -5.9 -90.8 -49.1 20.5 14.5 35.6 95 108 A F E -D 106 0A 41 11,-1.7 11,-2.7 2,-0.0 -1,-0.3 -0.963 53.3-169.1-142.8 160.1 18.4 13.0 38.5 96 109 A S E +D 105 0A 3 -2,-0.3 -72,-2.0 9,-0.2 -71,-0.5 -0.983 18.4 143.2-148.8 155.8 15.1 11.7 39.4 97 110 A F E -D 104 0A 6 7,-1.8 7,-2.4 -2,-0.3 2,-0.3 -0.946 25.1-141.3-169.9-179.9 13.3 10.7 42.7 98 111 A K E -D 103 0A 64 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.969 8.3-170.2-150.6 160.5 10.0 10.7 44.5 99 112 A D - 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