==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/PEPTIDE 06-DEC-12 4IAF . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR O.GERLITS,A.KOVALEVSKY . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 61.5 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 . 45 12.6 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 . 23 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 27.2 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 2 0 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 1 2 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 15 A V >> 0 0 98 0, 0.0 4,-1.4 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -4.0 -26.7 24.3 -31.5 2 16 A K H 3> + 0 0 169 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.764 360.0 71.0 -53.5 -25.4 -24.8 27.5 -30.4 3 17 A E H 3> S+ 0 0 154 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.951 99.1 43.7 -56.0 -55.3 -27.8 28.0 -28.1 4 18 A F H <> S+ 0 0 56 -3,-0.9 4,-2.0 1,-0.2 3,-0.3 0.945 114.3 48.1 -56.6 -55.2 -26.9 25.2 -25.8 5 19 A L H X S+ 0 0 30 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.843 106.7 61.1 -56.2 -36.1 -23.2 26.0 -25.7 6 20 A A H X S+ 0 0 57 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.922 109.5 37.5 -59.0 -49.5 -24.1 29.6 -25.0 7 21 A K H X S+ 0 0 116 -4,-1.6 4,-1.4 -3,-0.3 -1,-0.2 0.798 112.5 59.3 -74.8 -27.2 -25.9 28.9 -21.7 8 22 A A H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.831 102.1 55.6 -68.0 -31.2 -23.4 26.3 -20.8 9 23 A K H X S+ 0 0 62 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.837 101.9 55.4 -70.0 -33.3 -20.8 29.0 -21.0 10 24 A E H X S+ 0 0 128 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.886 108.9 48.4 -66.4 -37.2 -22.7 31.1 -18.5 11 25 A D H X S+ 0 0 72 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.952 113.0 47.5 -64.4 -52.4 -22.6 28.2 -16.1 12 26 A F H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.926 110.0 51.3 -54.5 -54.1 -18.9 27.7 -16.6 13 27 A L H X S+ 0 0 62 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.866 105.9 55.4 -54.6 -41.3 -17.9 31.3 -16.2 14 28 A K H X S+ 0 0 139 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.925 115.8 37.7 -58.7 -47.0 -19.7 31.6 -12.9 15 29 A K H < S+ 0 0 100 -4,-1.7 -2,-0.2 68,-0.2 -1,-0.2 0.818 113.0 56.8 -76.4 -30.3 -17.7 28.7 -11.5 16 30 A W H < S+ 0 0 29 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.908 111.7 43.6 -65.9 -41.6 -14.5 29.7 -13.2 17 31 A E H < S+ 0 0 125 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.861 128.9 25.8 -71.8 -38.4 -14.7 33.1 -11.6 18 32 A T S < S- 0 0 114 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.733 83.3-165.7-130.3 82.9 -15.7 31.8 -8.1 19 33 A P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.332 24.3-110.7 -69.3 149.7 -14.4 28.2 -7.7 20 34 A S - 0 0 54 62,-0.1 2,-0.3 59,-0.1 3,-0.1 -0.468 38.8-166.5 -76.6 150.6 -15.7 25.9 -4.9 21 35 A Q + 0 0 101 1,-0.2 75,-0.1 -2,-0.1 315,-0.1 -0.997 51.9 1.8-141.3 149.5 -13.2 25.1 -2.2 22 36 A N + 0 0 112 -2,-0.3 74,-0.2 1,-0.1 -1,-0.2 0.921 63.4 161.4 43.6 63.5 -12.8 22.7 0.7 23 37 A T + 0 0 63 72,-2.3 2,-0.3 -3,-0.1 73,-0.2 0.247 62.1 4.8 -97.9 14.6 -16.0 20.8 0.2 24 38 A A - 0 0 7 71,-0.4 2,-0.3 73,-0.1 73,-0.2 -0.967 67.1-124.0-173.8 179.9 -15.0 17.7 2.2 25 39 A Q > - 0 0 102 -2,-0.3 3,-2.1 71,-0.1 4,-0.2 -0.984 27.9-110.3-145.6 152.2 -12.3 16.2 4.4 26 40 A L G > S+ 0 0 36 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.783 110.5 62.7 -49.5 -38.8 -10.2 13.1 4.5 27 41 A D G 3 S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.1 22,-0.0 0.481 88.1 73.0 -71.3 -0.3 -11.9 11.5 7.5 28 42 A Q G < S+ 0 0 68 -3,-2.1 21,-2.2 21,-0.1 2,-0.3 0.485 95.1 62.0 -89.5 -3.7 -15.2 11.3 5.6 29 43 A F E < -A 48 0A 5 -3,-1.5 2,-0.6 19,-0.2 19,-0.2 -0.940 68.7-141.0-127.5 152.1 -13.9 8.5 3.4 30 44 A D E -A 47 0A 82 17,-2.2 17,-1.9 -2,-0.3 2,-0.4 -0.930 29.4-133.8-106.9 117.6 -12.6 4.9 3.8 31 45 A R E +A 46 0A 112 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.596 33.2 168.6 -76.0 124.8 -9.7 4.4 1.4 32 46 A I E - 0 0 84 13,-2.8 2,-0.3 -2,-0.4 14,-0.2 0.873 47.1 -20.6-104.6 -59.1 -10.1 1.1 -0.4 33 47 A K E -A 45 0A 45 12,-1.1 12,-3.8 282,-0.0 2,-0.4 -0.983 58.4-103.5-158.8 148.0 -7.8 0.3 -3.3 34 48 A T E -A 44 0A 1 -2,-0.3 282,-0.3 10,-0.3 10,-0.3 -0.617 27.9-175.3 -77.4 125.5 -5.6 2.1 -5.9 35 49 A L E - 0 0 8 8,-3.1 2,-0.3 -2,-0.4 279,-0.2 0.727 61.4 -28.5 -91.0 -28.1 -7.3 2.3 -9.3 36 50 A G E -A 43 0A 8 7,-1.3 7,-2.6 277,-0.1 -1,-0.3 -0.968 50.1-140.8-178.9 165.2 -4.3 3.8 -11.2 37 51 A T E -A 42 0A 49 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.726 14.1-179.7-129.9 179.0 -1.2 6.0 -11.2 38 52 A G - 0 0 40 3,-0.9 3,-0.2 -2,-0.2 315,-0.1 -0.720 61.4 -41.6-155.0-155.4 0.5 8.5 -13.4 39 53 A S S S- 0 0 38 1,-0.3 2,-0.3 -2,-0.2 314,-0.1 0.836 127.9 -16.7 -54.0 -31.0 3.6 10.7 -13.6 40 54 A F S S+ 0 0 26 1,-0.2 -1,-0.3 25,-0.0 0, 0.0 -0.912 113.7 37.6-172.3 144.7 2.9 11.4 -10.0 41 55 A G - 0 0 24 -2,-0.3 -3,-0.9 -3,-0.2 2,-0.3 0.150 65.9-120.7 87.4 151.5 0.0 10.9 -7.6 42 56 A R E -AB 37 59A 32 17,-0.8 17,-3.2 -5,-0.2 2,-0.5 -0.823 5.7-130.4-126.5 167.7 -2.5 8.1 -7.5 43 57 A V E -AB 36 58A 33 -7,-2.6 -8,-3.1 -2,-0.3 -7,-1.3 -0.978 27.6-166.1-120.1 123.6 -6.2 7.6 -7.8 44 58 A M E -AB 34 57A 12 13,-2.5 13,-3.2 -2,-0.5 2,-0.5 -0.895 24.9-121.0-116.1 147.1 -7.9 5.5 -5.1 45 59 A L E +AB 33 56A 0 -12,-3.8 -13,-2.8 -2,-0.4 -12,-1.1 -0.666 43.8 178.8 -78.4 126.3 -11.3 3.9 -4.8 46 60 A V E -AB 31 55A 0 9,-2.9 9,-2.8 -2,-0.5 2,-0.5 -0.923 24.4-138.6-131.0 157.4 -12.9 5.4 -1.7 47 61 A K E -AB 30 54A 86 -17,-1.9 -17,-2.2 -2,-0.3 2,-0.6 -0.971 17.7-132.5-120.3 126.4 -16.3 5.0 0.1 48 62 A H E > -A 29 0A 21 5,-3.3 4,-3.2 -2,-0.5 -19,-0.2 -0.666 15.3-150.1 -79.1 114.8 -18.1 8.0 1.5 49 63 A K T 4 S+ 0 0 107 -21,-2.2 -1,-0.2 -2,-0.6 -20,-0.1 0.911 89.3 44.6 -50.5 -56.9 -19.2 7.1 5.0 50 64 A E T 4 S+ 0 0 179 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.855 127.8 26.8 -60.2 -41.7 -22.3 9.2 5.3 51 65 A S T 4 S- 0 0 58 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.764 92.0-134.4 -93.8 -31.6 -23.8 8.3 1.9 52 66 A G < + 0 0 29 -4,-3.2 -3,-0.1 1,-0.3 2,-0.1 0.406 57.2 142.0 89.8 -3.3 -22.2 4.9 1.3 53 67 A N - 0 0 84 -5,-0.2 -5,-3.3 -6,-0.1 2,-0.4 -0.372 48.7-128.3 -72.5 151.9 -21.3 6.0 -2.3 54 68 A H E +B 47 0A 39 -7,-0.2 54,-0.8 -3,-0.1 2,-0.3 -0.802 31.3 173.3-100.7 141.1 -18.1 5.1 -3.9 55 69 A Y E -BC 46 107A 24 -9,-2.8 -9,-2.9 -2,-0.4 2,-0.5 -0.878 32.8-117.0-137.4 170.9 -15.9 7.7 -5.5 56 70 A A E -BC 45 106A 8 50,-2.6 50,-3.1 -2,-0.3 2,-0.6 -0.961 29.0-156.8-114.7 120.4 -12.4 7.9 -7.1 57 71 A M E -BC 44 105A 0 -13,-3.2 -13,-2.5 -2,-0.5 2,-0.6 -0.881 4.8-154.6-105.9 116.4 -10.0 10.1 -5.2 58 72 A K E -BC 43 104A 29 46,-3.1 46,-2.1 -2,-0.6 2,-0.5 -0.749 15.4-160.8 -87.7 124.5 -7.0 11.7 -7.0 59 73 A I E -BC 42 103A 10 -17,-3.2 -17,-0.8 -2,-0.6 2,-0.5 -0.927 6.1-168.5-110.6 128.5 -4.3 12.3 -4.5 60 74 A L E - C 0 102A 2 42,-2.7 42,-2.1 -2,-0.5 2,-0.7 -0.959 19.0-137.9-122.1 120.9 -1.5 14.8 -5.2 61 75 A D E > - C 0 101A 45 -2,-0.5 4,-2.2 40,-0.2 3,-0.4 -0.634 14.4-148.8 -75.1 113.1 1.6 15.2 -3.1 62 76 A K H > S+ 0 0 4 38,-2.2 4,-1.9 -2,-0.7 -1,-0.2 0.826 94.0 52.7 -51.2 -39.3 2.2 18.9 -2.8 63 77 A Q H > S+ 0 0 106 37,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.895 108.2 48.4 -68.1 -40.4 6.0 18.5 -2.6 64 78 A K H > S+ 0 0 101 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.925 108.3 56.8 -65.0 -42.1 6.3 16.4 -5.7 65 79 A V H <>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 6,-0.3 0.922 110.5 43.0 -53.3 -48.8 4.1 18.9 -7.6 66 80 A V H ><5S+ 0 0 46 -4,-1.9 3,-1.4 3,-0.2 -1,-0.2 0.892 111.0 55.4 -66.2 -40.3 6.5 21.7 -6.8 67 81 A K H 3<5S+ 0 0 174 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.930 112.7 41.9 -58.2 -46.1 9.5 19.6 -7.5 68 82 A L T 3<5S- 0 0 56 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.323 113.5-121.1 -83.2 7.2 8.2 18.9 -11.0 69 83 A K T < 5S+ 0 0 172 -3,-1.4 -3,-0.2 -5,-0.2 4,-0.2 0.897 70.5 133.6 53.7 47.4 7.1 22.5 -11.4 70 84 A Q >< + 0 0 13 -5,-2.8 4,-3.1 -6,-0.1 5,-0.2 0.085 25.3 115.2-111.7 21.1 3.4 21.6 -12.0 71 85 A I H > S+ 0 0 46 -6,-0.3 4,-2.3 1,-0.2 5,-0.2 0.959 81.7 40.3 -54.4 -58.1 2.0 24.2 -9.6 72 86 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 116.7 51.0 -60.2 -41.0 0.2 26.2 -12.3 73 87 A H H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 110.0 49.1 -63.9 -43.6 -0.9 23.1 -14.1 74 88 A T H X S+ 0 0 4 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.895 110.8 50.6 -63.3 -39.9 -2.3 21.5 -10.9 75 89 A L H X S+ 0 0 14 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.884 110.4 49.7 -66.5 -36.7 -4.2 24.8 -10.2 76 90 A N H X S+ 0 0 18 -4,-2.2 4,-2.7 1,-0.2 5,-0.4 0.940 106.8 57.1 -65.2 -46.7 -5.7 24.8 -13.7 77 91 A E H X S+ 0 0 8 -4,-2.6 4,-2.3 95,-0.3 -2,-0.2 0.919 113.1 37.2 -49.4 -53.6 -6.7 21.1 -13.3 78 92 A K H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.931 116.8 50.9 -67.9 -46.9 -8.9 21.7 -10.3 79 93 A R H < S+ 0 0 60 -4,-2.2 4,-0.2 -5,-0.2 -2,-0.2 0.846 117.1 40.3 -60.0 -37.7 -10.2 25.1 -11.3 80 94 A I H >X S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.2 3,-1.3 0.912 113.1 53.3 -78.2 -46.4 -11.3 23.8 -14.7 81 95 A L H 3< S+ 0 0 7 -4,-2.3 11,-0.4 -5,-0.4 3,-0.2 0.860 107.3 50.9 -58.4 -39.1 -12.6 20.5 -13.5 82 96 A Q T 3< S+ 0 0 19 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.554 113.2 47.5 -76.3 -8.5 -14.9 22.0 -10.9 83 97 A A T <4 S+ 0 0 3 -3,-1.3 -68,-0.2 -4,-0.2 -1,-0.2 0.636 93.7 84.4-106.5 -19.1 -16.4 24.3 -13.5 84 98 A V < - 0 0 15 -4,-1.4 2,-0.3 -3,-0.2 8,-0.2 -0.479 48.2-176.4 -86.6 158.1 -17.2 22.1 -16.4 85 99 A N + 0 0 92 -2,-0.1 -73,-0.1 6,-0.1 5,-0.1 -0.804 21.4 138.5-157.6 105.4 -20.3 20.0 -16.8 86 100 A F > - 0 0 8 3,-0.3 3,-1.9 -2,-0.3 53,-0.0 -0.990 57.5-114.1-151.7 146.4 -20.8 17.6 -19.8 87 101 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.0 0, 0.0 52,-0.0 0.733 116.0 42.8 -54.2 -28.0 -22.2 14.0 -20.2 88 102 A F T 3 S+ 0 0 0 47,-0.1 80,-3.6 79,-0.1 2,-0.4 0.247 97.0 89.2-106.9 14.3 -18.8 12.6 -21.2 89 103 A L B < S-e 168 0B 3 -3,-1.9 -3,-0.3 78,-0.3 80,-0.2 -0.910 83.3-109.8-112.2 137.6 -16.6 14.4 -18.6 90 104 A V - 0 0 6 78,-2.3 2,-0.4 -2,-0.4 -4,-0.1 -0.293 36.1-118.6 -61.9 148.7 -16.0 12.9 -15.2 91 105 A K - 0 0 66 -6,-0.1 16,-1.9 16,-0.0 2,-0.7 -0.787 12.4-142.8 -94.8 133.4 -17.7 14.8 -12.4 92 106 A L E +D 106 0A 32 -2,-0.4 14,-0.3 -11,-0.4 3,-0.1 -0.828 23.1 174.8 -93.2 117.6 -15.8 16.4 -9.6 93 107 A E E - 0 0 85 12,-3.0 2,-0.3 -2,-0.7 13,-0.2 0.898 60.9 -2.6 -89.0 -49.4 -17.7 15.9 -6.4 94 108 A F E -D 105 0A 38 11,-1.7 11,-3.3 2,-0.0 2,-0.3 -0.958 54.1-169.3-140.8 162.5 -15.4 17.3 -3.7 95 109 A S E +D 104 0A 0 -2,-0.3 -72,-2.3 9,-0.2 -71,-0.4 -0.984 20.9 142.1-150.9 146.2 -12.0 18.8 -3.4 96 110 A F E -D 103 0A 7 7,-1.7 7,-2.8 -2,-0.3 2,-0.3 -0.957 25.5-145.8-170.6 173.5 -9.9 19.6 -0.3 97 111 A K E -D 102 0A 73 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.970 5.7-165.8-149.2 164.7 -6.3 19.6 1.0 98 112 A D - 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