==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-JAN-12 4DG0 . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.C.BASTIDAS,J.M.STEICHEN,S.S.TAYLOR . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 60.4 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 . 46 12.7 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 0 0 0 0 1 0 0 1 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 3 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 . 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 10 E S 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.8 -33.0 -24.0 35.6 2 11 E E + 0 0 81 3,-0.1 4,-0.4 4,-0.0 0, 0.0 0.842 360.0 9.6-100.5 -55.6 -29.8 -22.5 37.0 3 12 E Q S > S+ 0 0 80 2,-0.1 4,-1.9 3,-0.1 5,-0.1 0.749 129.4 56.7 -94.3 -31.5 -27.2 -25.2 36.3 4 13 E E H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.759 102.6 55.9 -72.9 -27.8 -29.3 -27.4 34.1 5 14 E S H > S+ 0 0 47 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.864 111.0 43.7 -70.7 -38.8 -30.0 -24.5 31.7 6 15 E V H > S+ 0 0 42 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.893 113.0 51.9 -72.1 -42.6 -26.3 -23.9 31.1 7 16 E K H X S+ 0 0 149 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.910 110.1 47.8 -61.1 -46.8 -25.5 -27.7 30.8 8 17 E E H X S+ 0 0 135 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.851 112.3 50.3 -65.1 -37.2 -28.2 -28.3 28.2 9 18 E F H X S+ 0 0 76 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.921 112.0 46.7 -63.7 -46.7 -27.0 -25.2 26.2 10 19 E L H X S+ 0 0 32 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.829 108.9 54.9 -68.1 -34.3 -23.4 -26.4 26.2 11 20 E A H X S+ 0 0 54 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.898 112.0 43.4 -64.4 -43.3 -24.3 -29.9 25.2 12 21 E K H X S+ 0 0 128 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.836 111.7 55.7 -68.9 -34.4 -26.1 -28.7 22.1 13 22 E A H X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.886 107.3 48.2 -65.0 -41.0 -23.3 -26.2 21.5 14 23 E K H X S+ 0 0 61 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.873 108.4 55.2 -67.4 -38.3 -20.7 -29.1 21.4 15 24 E E H X S+ 0 0 88 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.932 111.9 43.5 -57.1 -48.6 -23.0 -31.1 19.1 16 25 E D H X S+ 0 0 77 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.903 115.4 49.2 -64.2 -44.0 -23.0 -28.1 16.6 17 26 E F H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.928 108.0 52.3 -61.9 -49.3 -19.3 -27.5 17.0 18 27 E L H X S+ 0 0 57 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.843 104.1 57.4 -60.6 -36.7 -18.2 -31.2 16.5 19 28 E K H X S+ 0 0 133 -4,-1.5 4,-1.3 -5,-0.2 -1,-0.2 0.906 114.2 38.0 -58.9 -43.3 -20.2 -31.4 13.2 20 29 E K H < S+ 0 0 105 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.802 113.3 57.1 -80.1 -30.6 -18.2 -28.5 11.8 21 30 E W H < S+ 0 0 28 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.894 111.3 42.4 -63.0 -42.7 -15.0 -29.6 13.4 22 31 E E H < S+ 0 0 120 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.821 129.9 26.6 -76.2 -33.3 -15.2 -33.1 11.7 23 32 E T S < S- 0 0 115 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.686 86.9-162.4-131.5 79.0 -16.3 -31.6 8.3 24 33 E P - 0 0 41 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.256 23.7-106.7 -67.4 147.1 -15.0 -28.0 8.0 25 34 E S - 0 0 54 59,-0.1 2,-0.3 -5,-0.1 62,-0.1 -0.439 43.5-172.9 -67.3 144.8 -16.3 -25.5 5.5 26 35 E Q + 0 0 89 -2,-0.1 75,-0.1 1,-0.1 315,-0.1 -0.998 48.5 2.4-146.9 142.2 -14.0 -24.8 2.6 27 36 E N + 0 0 116 -2,-0.3 74,-0.2 1,-0.1 -1,-0.1 0.883 63.4 157.0 54.9 53.9 -13.7 -22.5 -0.4 28 37 E T + 0 0 63 72,-2.1 2,-0.3 -3,-0.1 73,-0.2 0.323 62.9 7.8 -96.7 7.3 -16.8 -20.4 0.2 29 38 E A - 0 0 5 71,-0.6 2,-0.3 73,-0.1 73,-0.2 -0.946 64.9-131.4-162.8-179.5 -15.6 -17.3 -1.7 30 39 E Q > - 0 0 101 -2,-0.3 3,-1.7 71,-0.1 4,-0.1 -0.973 29.6-108.7-144.2 160.8 -12.9 -15.9 -4.1 31 40 E L G > S+ 0 0 33 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.849 111.5 59.9 -58.0 -41.1 -10.8 -12.8 -4.2 32 41 E D G 3 S+ 0 0 100 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.466 89.7 72.9 -73.8 0.6 -12.5 -11.1 -7.2 33 42 E Q G < S+ 0 0 64 -3,-1.7 21,-2.7 21,-0.1 22,-0.4 0.483 97.3 60.4 -85.4 -4.6 -15.8 -11.1 -5.3 34 43 E F E < -A 53 0A 5 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.927 68.6-144.7-127.1 146.4 -14.4 -8.3 -3.1 35 44 E D E -A 52 0A 87 17,-2.6 17,-2.5 -2,-0.3 2,-0.4 -0.965 27.4-135.4-105.4 122.2 -13.1 -4.8 -3.5 36 45 E R E +A 51 0A 105 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.641 30.9 168.5 -82.7 131.3 -10.3 -4.1 -1.1 37 46 E I E - 0 0 85 13,-2.8 2,-0.3 -2,-0.4 14,-0.2 0.863 50.2 -15.6-110.7 -55.7 -10.6 -0.7 0.6 38 47 E K E -A 50 0A 44 12,-1.2 12,-3.7 282,-0.0 2,-0.4 -0.993 60.1-103.5-159.9 146.7 -8.2 -0.1 3.6 39 48 E T E -A 49 0A 1 -2,-0.3 282,-0.3 10,-0.3 10,-0.3 -0.643 25.0-176.6 -77.8 129.6 -5.9 -1.9 6.0 40 49 E L E S- 0 0 9 8,-3.3 279,-0.3 -2,-0.4 2,-0.2 0.650 70.2 -13.4 -95.8 -23.5 -7.4 -2.2 9.5 41 50 E G E -A 48 0A 8 7,-1.4 7,-3.3 277,-0.1 -1,-0.4 -0.860 60.2-136.6-178.6 142.1 -4.4 -3.9 11.1 42 51 E T E +A 47 0A 55 -2,-0.2 5,-0.3 5,-0.2 2,-0.2 -0.788 23.0 177.4-108.9 153.6 -1.1 -5.5 10.1 43 52 E G - 0 0 53 3,-3.3 3,-0.4 -2,-0.3 315,-0.0 -0.719 45.7 -78.2-140.1-172.0 0.6 -8.7 11.5 44 53 E S S S+ 0 0 65 1,-0.2 3,-0.1 -2,-0.2 21,-0.0 0.863 125.7 23.0 -64.3 -42.0 3.6 -11.0 11.1 45 54 E F S S- 0 0 27 19,-0.0 21,-3.2 25,-0.0 2,-0.3 0.160 131.7 -43.6-115.8 19.1 2.4 -12.9 8.0 46 55 E G E - B 0 65A 20 -3,-0.4 -3,-3.3 19,-0.2 2,-0.3 -0.986 63.5 -80.9 161.6-144.6 -0.1 -10.4 6.5 47 56 E R E -AB 42 64A 31 17,-1.2 17,-3.3 -2,-0.3 2,-0.5 -0.951 20.8-118.7-151.6 163.5 -2.9 -7.9 7.3 48 57 E V E -AB 41 63A 35 -7,-3.3 -8,-3.3 -2,-0.3 -7,-1.4 -0.972 37.6-168.1-108.5 126.0 -6.6 -7.4 8.0 49 58 E M E -AB 39 62A 10 13,-2.3 13,-3.2 -2,-0.5 2,-0.4 -0.909 26.1-121.0-118.0 141.2 -8.3 -5.3 5.3 50 59 E L E +AB 38 61A 0 -12,-3.7 -13,-2.8 -2,-0.4 -12,-1.2 -0.680 44.3 179.7 -70.5 127.2 -11.7 -3.6 5.1 51 60 E V E -AB 36 60A 0 9,-3.0 9,-2.6 -2,-0.4 2,-0.5 -0.923 26.6-137.2-130.0 157.6 -13.3 -5.0 2.0 52 61 E K E -AB 35 59A 93 -17,-2.5 -17,-2.6 -2,-0.3 2,-0.5 -0.977 18.5-136.2-117.1 120.4 -16.6 -4.6 0.2 53 62 E H E > -A 34 0A 22 5,-2.9 4,-2.7 -2,-0.5 -19,-0.2 -0.642 16.2-146.6 -74.1 121.5 -18.4 -7.7 -1.1 54 63 E K T 4 S+ 0 0 108 -21,-2.7 -1,-0.1 -2,-0.5 -20,-0.1 0.910 88.7 42.4 -60.6 -52.5 -19.6 -6.9 -4.6 55 64 E E T 4 S+ 0 0 177 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.824 127.2 30.3 -70.1 -33.7 -22.9 -8.8 -5.0 56 65 E S T 4 S- 0 0 56 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.782 92.0-136.2 -93.8 -33.2 -24.2 -8.0 -1.4 57 66 E G < + 0 0 31 -4,-2.7 -3,-0.1 1,-0.3 2,-0.1 0.412 56.1 142.1 86.6 -0.6 -22.6 -4.6 -0.9 58 67 E N - 0 0 84 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.3 -0.437 49.9-126.2 -74.3 144.7 -21.7 -5.7 2.7 59 68 E H E +B 52 0A 42 -7,-0.2 54,-0.7 -2,-0.1 2,-0.3 -0.705 32.9 174.5 -88.4 143.0 -18.4 -4.7 4.3 60 69 E Y E -BC 51 112A 18 -9,-2.6 -9,-3.0 -2,-0.3 2,-0.6 -0.917 33.7-117.6-139.4 166.2 -16.2 -7.3 5.8 61 70 E A E -BC 50 111A 7 50,-2.4 50,-3.0 -2,-0.3 2,-0.7 -0.946 29.4-158.2-109.5 112.9 -12.7 -7.7 7.4 62 71 E M E -BC 49 110A 0 -13,-3.2 -13,-2.3 -2,-0.6 2,-0.6 -0.818 3.1-155.7 -99.4 109.1 -10.5 -9.8 5.3 63 72 E K E -BC 48 109A 30 46,-3.3 46,-2.4 -2,-0.7 2,-0.5 -0.753 14.0-163.6 -81.7 120.6 -7.5 -11.4 7.0 64 73 E I E -BC 47 108A 7 -17,-3.3 -17,-1.2 -2,-0.6 2,-0.5 -0.934 5.9-170.5-111.3 124.5 -4.8 -12.2 4.5 65 74 E L E -BC 46 107A 4 42,-2.7 42,-2.5 -2,-0.5 2,-0.5 -0.970 21.1-134.0-118.4 124.5 -2.0 -14.6 5.3 66 75 E D E > - C 0 106A 39 -21,-3.2 4,-2.0 -2,-0.5 3,-0.3 -0.661 13.9-149.1 -73.7 118.6 1.1 -15.1 3.0 67 76 E K H > S+ 0 0 3 38,-2.3 4,-2.4 -2,-0.5 5,-0.2 0.873 95.1 52.3 -58.4 -41.5 1.6 -18.8 2.8 68 77 E Q H > S+ 0 0 98 37,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.842 110.0 48.4 -65.9 -35.8 5.3 -18.5 2.4 69 78 E K H > S+ 0 0 90 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.859 110.9 51.7 -71.0 -36.7 5.6 -16.4 5.5 70 79 E V H <>S+ 0 0 0 -4,-2.0 5,-3.0 2,-0.2 6,-0.3 0.918 113.1 44.3 -63.5 -46.1 3.4 -18.9 7.4 71 80 E V H ><5S+ 0 0 45 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.919 110.8 54.4 -64.6 -45.5 5.7 -21.8 6.4 72 81 E K H 3<5S+ 0 0 166 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.882 111.1 44.5 -56.7 -42.9 8.9 -19.9 7.1 73 82 E L T 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.306 115.0-116.6 -87.9 8.7 7.9 -19.1 10.7 74 83 E K T < 5S+ 0 0 167 -3,-1.6 -3,-0.2 1,-0.1 4,-0.2 0.855 74.6 131.6 59.7 41.9 6.6 -22.7 11.2 75 84 E Q >< + 0 0 2 -5,-3.0 4,-2.6 -6,-0.1 5,-0.2 0.130 25.1 112.0-110.8 18.8 3.0 -21.7 11.7 76 85 E I H > S+ 0 0 44 -6,-0.3 4,-2.4 2,-0.2 5,-0.2 0.954 82.3 43.2 -55.4 -55.3 1.3 -24.1 9.3 77 86 E E H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 114.3 50.3 -61.2 -43.5 -0.4 -26.1 12.1 78 87 E H H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.913 110.6 49.5 -61.1 -43.7 -1.4 -23.0 14.0 79 88 E T H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.889 111.9 48.4 -63.7 -41.8 -2.9 -21.4 10.9 80 89 E L H X S+ 0 0 13 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.864 112.1 50.3 -65.3 -37.4 -4.9 -24.6 10.1 81 90 E N H X S+ 0 0 16 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.945 107.5 54.9 -59.4 -50.8 -6.0 -24.6 13.8 82 91 E E H X S+ 0 0 5 -4,-2.9 4,-2.1 95,-0.3 -2,-0.2 0.897 115.1 36.5 -51.4 -51.1 -7.1 -20.9 13.5 83 92 E K H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.915 115.9 52.0 -73.1 -45.4 -9.4 -21.5 10.5 84 93 E R H < S+ 0 0 61 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.876 116.7 40.8 -60.1 -40.2 -10.7 -25.0 11.5 85 94 E I H >X S+ 0 0 0 -4,-2.6 3,-1.2 -5,-0.2 4,-1.1 0.941 113.8 50.6 -74.2 -49.1 -11.7 -23.7 14.9 86 95 E L H 3< S+ 0 0 7 -4,-2.1 11,-0.5 -5,-0.3 3,-0.3 0.844 108.7 52.1 -61.9 -37.1 -13.1 -20.3 13.9 87 96 E Q T 3< S+ 0 0 22 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.683 113.1 47.2 -69.3 -18.0 -15.4 -21.8 11.2 88 97 E A T <4 S+ 0 0 4 -3,-1.2 -68,-0.2 -4,-0.4 -2,-0.2 0.619 94.4 88.7-100.4 -16.9 -16.8 -24.2 13.7 89 98 E V < - 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