==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-OCT-12 4HPU . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.C.BASTIDAS,J.M.STEICHEN,J.WU,S.S.TAYLOR . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 60.3 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 12.8 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 27.9 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 12 E Q > 0 0 123 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -44.8 -27.0 24.4 -36.4 2 13 E E H > + 0 0 70 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.864 360.0 50.8 -74.8 -39.4 -29.4 26.8 -34.6 3 14 E S H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 111.3 48.6 -64.6 -42.6 -29.9 24.4 -31.7 4 15 E V H > S+ 0 0 42 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 108.1 53.8 -62.7 -48.0 -26.2 23.9 -31.2 5 16 E K H X S+ 0 0 134 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.912 113.8 42.1 -54.7 -47.6 -25.4 27.7 -31.2 6 17 E E H X S+ 0 0 141 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.899 112.2 54.3 -67.2 -43.9 -27.9 28.3 -28.5 7 18 E F H X S+ 0 0 74 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 110.9 46.5 -53.9 -45.6 -26.9 25.3 -26.5 8 19 E L H X S+ 0 0 33 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.870 107.5 56.0 -71.0 -37.2 -23.3 26.5 -26.5 9 20 E A H X S+ 0 0 51 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.925 112.5 42.2 -57.1 -48.0 -24.2 30.0 -25.5 10 21 E K H X S+ 0 0 129 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.865 110.7 56.8 -67.2 -38.1 -25.9 28.8 -22.4 11 22 E A H X S+ 0 0 9 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.885 107.3 49.0 -60.9 -39.5 -23.2 26.3 -21.7 12 23 E K H X S+ 0 0 58 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.904 108.1 53.1 -67.3 -41.8 -20.7 29.2 -21.7 13 24 E E H X S+ 0 0 108 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.930 112.5 45.5 -57.4 -45.6 -22.8 31.2 -19.3 14 25 E D H X S+ 0 0 57 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.933 114.5 47.7 -63.7 -47.3 -22.9 28.3 -16.9 15 26 E F H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.915 108.6 53.5 -59.9 -46.7 -19.2 27.6 -17.2 16 27 E L H X S+ 0 0 43 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.862 103.5 56.4 -63.7 -35.3 -18.2 31.2 -16.7 17 28 E K H X S+ 0 0 127 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.935 114.6 38.9 -58.5 -44.7 -20.1 31.5 -13.4 18 29 E K H < S+ 0 0 105 -4,-1.4 -2,-0.2 68,-0.2 -1,-0.2 0.848 113.4 55.3 -76.0 -33.6 -18.2 28.6 -12.0 19 30 E W H < S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.903 112.5 44.0 -61.2 -41.5 -14.9 29.6 -13.6 20 31 E E H < S+ 0 0 125 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.822 128.7 25.2 -76.4 -33.3 -15.2 33.0 -11.9 21 32 E T S < S- 0 0 116 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.696 86.7-162.1-132.2 80.8 -16.4 31.7 -8.5 22 33 E P - 0 0 41 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.248 22.6-108.3 -69.3 150.7 -15.0 28.2 -8.1 23 34 E S - 0 0 53 59,-0.1 2,-0.3 -5,-0.1 62,-0.1 -0.491 42.7-176.0 -67.3 143.9 -16.3 25.6 -5.6 24 35 E Q + 0 0 96 -2,-0.2 75,-0.1 1,-0.1 315,-0.1 -0.998 49.5 6.2-144.0 145.5 -13.9 24.9 -2.7 25 36 E N + 0 0 120 -2,-0.3 74,-0.2 1,-0.1 -1,-0.1 0.902 63.7 155.5 61.1 51.4 -13.7 22.7 0.3 26 37 E T + 0 0 62 72,-2.2 2,-0.3 -3,-0.1 73,-0.2 0.369 63.7 7.6 -99.7 4.1 -16.8 20.6 -0.3 27 38 E A - 0 0 6 71,-0.6 2,-0.3 73,-0.1 73,-0.2 -0.918 65.9-132.6-158.8-175.6 -15.7 17.5 1.6 28 39 E Q > - 0 0 101 -2,-0.3 3,-2.0 71,-0.1 4,-0.2 -0.973 30.2-105.7-147.3 162.2 -12.9 16.2 4.0 29 40 E L G > S+ 0 0 32 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.850 112.8 58.7 -59.7 -40.2 -10.8 13.1 4.2 30 41 E D G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.0 22,-0.0 0.443 88.3 75.7 -76.5 5.7 -12.6 11.4 7.1 31 42 E Q G < S+ 0 0 62 -3,-2.0 21,-2.7 21,-0.1 22,-0.4 0.508 96.8 56.8 -84.9 -4.3 -15.8 11.4 5.2 32 43 E F E < -A 51 0A 4 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.939 69.3-141.8-130.2 147.9 -14.5 8.5 3.1 33 44 E D E -A 50 0A 89 17,-2.6 17,-2.5 -2,-0.3 2,-0.4 -0.950 28.5-134.5-101.2 125.7 -13.1 5.0 3.6 34 45 E R E +A 49 0A 97 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.698 30.7 170.0 -87.2 129.6 -10.3 4.3 1.1 35 46 E I E - 0 0 84 13,-2.9 2,-0.3 -2,-0.4 14,-0.2 0.886 49.3 -18.4-107.2 -55.5 -10.6 0.9 -0.5 36 47 E K E -A 48 0A 41 12,-1.2 12,-3.3 282,-0.0 2,-0.4 -0.992 60.3-101.3-161.6 145.9 -8.2 0.3 -3.4 37 48 E T E -A 47 0A 1 -2,-0.3 282,-0.3 282,-0.3 10,-0.3 -0.645 26.3-176.9 -78.1 130.2 -6.0 2.0 -6.0 38 49 E L E - 0 0 9 8,-3.1 2,-0.3 -2,-0.4 279,-0.2 0.682 69.7 -11.4 -96.1 -27.4 -7.5 2.3 -9.5 39 50 E G E -A 46 0A 9 7,-1.4 7,-3.0 277,-0.1 -1,-0.4 -0.914 62.1-140.9-172.4 146.0 -4.5 4.0 -11.2 40 51 E T E +A 45 0A 54 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.843 21.9 166.3-117.9 157.8 -1.2 5.6 -10.2 41 52 E G - 0 0 43 3,-2.0 3,-0.5 -2,-0.3 315,-0.0 -0.825 50.0 -71.9-154.3-172.2 0.7 8.6 -11.6 42 53 E S S S+ 0 0 50 -2,-0.2 3,-0.0 1,-0.2 21,-0.0 0.789 124.7 32.5 -68.8 -31.8 3.6 11.1 -11.0 43 54 E F S S- 0 0 15 24,-0.0 21,-2.9 19,-0.0 2,-0.3 0.437 129.9 -60.6-103.8 -0.7 2.0 13.1 -8.1 44 55 E G E - B 0 63A 20 -3,-0.5 -3,-2.0 19,-0.2 2,-0.3 -0.837 63.3 -77.1 164.7-126.5 -0.0 10.4 -6.4 45 56 E R E -AB 40 62A 29 17,-1.4 17,-3.0 -2,-0.3 2,-0.5 -0.974 23.7-112.6-164.4 168.6 -2.9 8.0 -7.3 46 57 E V E -AB 39 61A 35 -7,-3.0 -8,-3.1 -2,-0.3 -7,-1.4 -0.983 37.8-167.0-114.0 127.3 -6.6 7.6 -7.9 47 58 E M E -AB 37 60A 10 13,-2.6 13,-3.4 -2,-0.5 2,-0.4 -0.913 25.4-121.0-117.5 143.1 -8.4 5.4 -5.3 48 59 E L E +AB 36 59A 1 -12,-3.3 -13,-2.9 -2,-0.4 -12,-1.2 -0.661 44.1 177.8 -70.2 128.8 -11.8 3.8 -5.0 49 60 E V E -AB 34 58A 0 9,-2.6 9,-2.2 -2,-0.4 2,-0.5 -0.925 27.1-136.0-132.0 159.6 -13.4 5.2 -1.9 50 61 E K E -AB 33 57A 89 -17,-2.5 -17,-2.6 -2,-0.3 2,-0.5 -0.983 19.3-134.6-116.9 125.3 -16.7 4.8 -0.1 51 62 E H E > -A 32 0A 24 5,-3.1 4,-2.4 -2,-0.5 -19,-0.2 -0.673 16.0-146.7 -78.5 124.1 -18.5 8.0 1.2 52 63 E K T 4 S+ 0 0 106 -21,-2.7 -1,-0.1 -2,-0.5 -20,-0.1 0.899 89.3 44.3 -64.3 -48.1 -19.6 7.1 4.7 53 64 E E T 4 S+ 0 0 181 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.811 126.8 28.9 -72.7 -30.6 -22.9 9.1 5.0 54 65 E S T 4 S- 0 0 57 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.717 91.7-134.5 -97.2 -26.2 -24.2 8.3 1.5 55 66 E G < + 0 0 30 -4,-2.4 -3,-0.1 1,-0.3 2,-0.1 0.381 58.2 140.9 80.5 -4.1 -22.7 4.8 0.9 56 67 E N - 0 0 84 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.3 -0.393 49.3-128.9 -71.6 147.2 -21.8 5.9 -2.6 57 68 E H E +B 50 0A 37 -7,-0.2 54,-0.7 -3,-0.1 2,-0.3 -0.716 31.2 172.8 -91.9 149.5 -18.5 4.9 -4.2 58 69 E Y E -BC 49 110A 15 -9,-2.2 -9,-2.6 -2,-0.3 2,-0.6 -0.912 34.8-113.7-144.3 168.5 -16.2 7.6 -5.8 59 70 E A E -BC 48 109A 7 50,-2.7 50,-3.1 -2,-0.3 2,-0.7 -0.953 30.1-157.7-112.1 117.6 -12.8 7.8 -7.3 60 71 E M E -BC 47 108A 0 -13,-3.4 -13,-2.6 -2,-0.6 2,-0.5 -0.842 2.7-156.4-103.2 112.4 -10.5 10.0 -5.2 61 72 E K E -BC 46 107A 30 46,-3.3 46,-2.3 -2,-0.7 2,-0.5 -0.778 13.5-163.5 -84.8 125.3 -7.5 11.6 -7.0 62 73 E I E -BC 45 106A 6 -17,-3.0 -17,-1.4 -2,-0.5 2,-0.5 -0.960 6.5-171.9-115.3 121.9 -4.8 12.4 -4.4 63 74 E L E -BC 44 105A 7 42,-2.7 42,-2.7 -2,-0.5 2,-0.6 -0.974 22.0-133.8-118.4 125.1 -2.0 14.8 -5.3 64 75 E D E > - C 0 104A 43 -21,-2.9 4,-2.4 -2,-0.5 3,-0.3 -0.648 13.5-148.1 -74.9 117.3 1.0 15.3 -3.0 65 76 E K H > S+ 0 0 2 38,-2.3 4,-2.4 -2,-0.6 5,-0.2 0.873 95.9 53.2 -56.5 -39.7 1.5 19.0 -2.7 66 77 E Q H > S+ 0 0 108 37,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.882 109.8 47.4 -66.2 -37.5 5.3 18.7 -2.3 67 78 E K H > S+ 0 0 84 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.904 110.4 53.2 -67.8 -41.9 5.6 16.6 -5.4 68 79 E V H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 6,-0.3 0.941 112.2 44.6 -57.1 -47.8 3.4 19.0 -7.4 69 80 E V H ><5S+ 0 0 48 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.919 111.1 53.2 -64.5 -43.6 5.7 21.9 -6.3 70 81 E K H 3<5S+ 0 0 169 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 110.9 46.5 -60.2 -37.0 8.9 19.9 -7.1 71 82 E L T 3<5S- 0 0 58 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.338 114.4-117.9 -89.6 7.7 7.7 19.1 -10.6 72 83 E K T < 5S+ 0 0 179 -3,-1.5 4,-0.2 -4,-0.1 -3,-0.2 0.847 74.1 132.6 58.8 41.7 6.7 22.8 -11.2 73 84 E Q >< + 0 0 9 -5,-2.8 4,-2.4 -6,-0.2 5,-0.2 0.104 23.2 112.3-108.6 18.5 3.1 21.8 -11.6 74 85 E I H > S+ 0 0 44 -6,-0.3 4,-2.5 2,-0.2 5,-0.2 0.971 82.8 41.4 -58.8 -55.0 1.4 24.3 -9.3 75 86 E E H > S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 114.6 52.2 -61.9 -41.7 -0.4 26.3 -12.1 76 87 E H H > S+ 0 0 16 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 110.7 48.0 -60.7 -38.6 -1.3 23.1 -14.0 77 88 E T H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.891 111.7 48.8 -71.3 -38.9 -2.9 21.6 -10.8 78 89 E L H X S+ 0 0 11 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.906 112.5 50.0 -64.7 -40.4 -4.8 24.8 -10.1 79 90 E N H X S+ 0 0 15 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.935 107.5 55.1 -56.9 -50.4 -6.0 24.8 -13.8 80 91 E E H X S+ 0 0 5 -4,-2.6 4,-2.5 95,-0.3 -2,-0.2 0.921 114.7 36.8 -52.6 -52.1 -7.1 21.1 -13.5 81 92 E K H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.899 115.9 52.2 -73.4 -38.9 -9.3 21.7 -10.5 82 93 E R H < S+ 0 0 67 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.899 116.8 40.6 -64.3 -39.1 -10.7 25.1 -11.6 83 94 E I H >X S+ 0 0 0 -4,-2.8 3,-1.3 -5,-0.2 4,-1.1 0.941 113.7 50.8 -74.6 -47.2 -11.6 23.8 -15.0 84 95 E L H 3< S+ 0 0 7 -4,-2.5 3,-0.5 -5,-0.3 11,-0.4 0.884 108.3 52.6 -64.0 -35.7 -13.0 20.4 -13.9 85 96 E Q T 3< S+ 0 0 24 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.683 112.8 47.4 -68.1 -16.9 -15.3 22.0 -11.2 86 97 E A T <4 S+ 0 0 3 -3,-1.3 -68,-0.2 -4,-0.4 -1,-0.2 0.607 94.0 87.8-100.1 -17.3 -16.7 24.3 -13.9 87 98 E V < - 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