==== 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 COMPLEX (PHOSPHOTRANSFERASE/INHIBITOR) 24-JUL-96 1YDT . COMPND 2 MOLECULE: C-AMP-DEPENDENT PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.A.ENGH,A.GIROD,V.KINZEL,R.HUBER,D.BOSSEMEYER . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 64.6 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 12.9 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 . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 3 1 2 0 1 0 2 0 0 1 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 . 2 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 15 E V > 0 0 76 0, 0.0 4,-2.9 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0 -82.1 -5.5 -10.8 -13.1 2 16 E K H > + 0 0 150 1,-0.3 4,-1.5 2,-0.2 5,-0.0 0.804 360.0 47.9 -45.7 -35.3 -4.3 -10.8 -16.8 3 17 E E H > S+ 0 0 132 2,-0.2 4,-2.3 3,-0.2 -1,-0.3 0.926 112.9 48.1 -70.6 -47.7 -7.7 -9.2 -17.5 4 18 E F H > S+ 0 0 75 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.928 113.6 44.4 -56.9 -56.3 -7.2 -6.7 -14.6 5 19 E L H X S+ 0 0 14 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.899 108.6 61.8 -57.4 -37.8 -3.7 -5.7 -15.6 6 20 E A H X S+ 0 0 57 -4,-1.5 4,-1.0 -5,-0.5 3,-0.3 0.947 107.7 40.6 -55.3 -52.2 -5.0 -5.6 -19.1 7 21 E K H X S+ 0 0 150 -4,-2.3 4,-0.9 1,-0.2 -1,-0.3 0.876 113.7 58.5 -61.9 -36.3 -7.5 -2.8 -18.2 8 22 E A H X S+ 0 0 15 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.834 95.8 59.3 -60.9 -40.6 -4.8 -1.3 -16.0 9 23 E K H X S+ 0 0 63 -4,-2.5 4,-2.6 -3,-0.3 -1,-0.2 0.888 101.8 57.2 -58.3 -40.8 -2.2 -0.8 -18.8 10 24 E E H X S+ 0 0 125 -4,-1.0 4,-1.6 -3,-0.3 -1,-0.2 0.842 106.0 45.3 -62.6 -40.8 -4.6 1.4 -20.7 11 25 E D H X S+ 0 0 74 -4,-0.9 4,-1.8 -3,-0.3 -1,-0.2 0.864 114.5 49.3 -72.3 -36.9 -5.2 4.0 -18.0 12 26 E F H X S+ 0 0 2 -4,-1.7 4,-3.9 2,-0.2 -2,-0.2 0.909 109.1 52.9 -63.8 -46.5 -1.5 4.2 -17.2 13 27 E L H X S+ 0 0 39 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.884 109.0 49.0 -57.6 -39.7 -0.7 4.7 -21.0 14 28 E K H X S+ 0 0 115 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.933 116.9 42.1 -63.9 -48.5 -3.2 7.6 -21.3 15 29 E K H < S+ 0 0 73 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.880 109.9 57.8 -64.6 -40.4 -1.6 9.2 -18.2 16 30 E W H < S+ 0 0 44 -4,-3.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 111.4 42.9 -54.3 -48.3 1.9 8.3 -19.4 17 31 E E H < S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.803 124.2 32.9 -70.9 -38.8 1.3 10.3 -22.6 18 32 E N S < S- 0 0 120 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.546 80.7-174.0-120.7 65.2 -0.4 13.3 -21.2 19 33 E P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.333 25.8-116.3 -58.5 142.6 1.2 13.7 -17.8 20 34 E A - 0 0 50 59,-0.1 2,-0.3 -5,-0.0 62,-0.1 -0.447 31.2-162.2 -80.3 156.8 -0.5 16.4 -15.6 21 35 E Q + 0 0 102 -2,-0.1 75,-0.1 1,-0.1 315,-0.1 -0.933 50.8 1.3-139.3 162.1 1.3 19.6 -14.5 22 36 E N + 0 0 72 -2,-0.3 74,-0.2 1,-0.2 -1,-0.1 0.755 55.7 167.0 26.9 65.2 1.0 22.5 -11.9 23 37 E T + 0 0 69 72,-2.0 2,-0.3 -3,-0.1 73,-0.2 0.246 60.4 2.9 -87.7 18.0 -2.1 21.4 -10.1 24 38 E A - 0 0 9 71,-0.5 2,-0.3 73,-0.1 73,-0.3 -0.989 63.8-111.3-179.4 176.0 -1.5 24.0 -7.2 25 39 E H > - 0 0 114 -2,-0.3 3,-0.9 1,-0.1 4,-0.2 -0.846 31.6-116.9-121.7 164.0 0.4 26.8 -5.5 26 40 E L G > S+ 0 0 57 -2,-0.3 3,-2.3 1,-0.2 2,-0.2 0.945 108.8 63.7 -66.4 -47.2 2.5 26.7 -2.3 27 41 E D G 3 S+ 0 0 121 1,-0.3 -1,-0.2 -3,-0.1 3,-0.0 0.233 86.3 70.4 -68.1 17.7 0.3 29.1 -0.5 28 42 E Q G < S+ 0 0 44 -3,-0.9 21,-2.2 -2,-0.2 22,-0.5 0.520 96.5 66.2-104.9 -10.5 -2.7 26.8 -0.5 29 43 E F E < S-A 48 0A 15 -3,-2.3 2,-0.6 19,-0.2 19,-0.2 -0.789 74.2-139.0-113.7 151.9 -0.9 24.6 2.0 30 44 E E E -A 47 0A 93 17,-1.8 17,-1.6 -2,-0.3 2,-0.3 -0.958 23.8-133.2-113.9 112.0 0.1 25.2 5.5 31 45 E R E +A 46 0A 84 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.500 37.0 160.7 -63.4 127.1 3.6 23.8 6.3 32 46 E I E - 0 0 67 13,-2.6 2,-0.3 -2,-0.3 14,-0.2 0.759 49.8 -13.9-118.6 -52.8 3.5 21.8 9.5 33 47 E K E -A 45 0A 31 12,-1.5 12,-2.8 282,-0.0 -1,-0.2 -0.905 53.1-113.2-166.7 133.7 6.3 19.3 10.0 34 48 E T E +A 44 0A 0 -2,-0.3 282,-0.3 10,-0.2 10,-0.3 -0.368 27.7 178.3 -61.8 126.5 9.2 17.5 8.3 35 49 E L E + 0 0 10 8,-3.3 2,-0.3 1,-0.4 279,-0.3 0.538 66.9 1.2-106.0 -14.1 8.5 13.7 8.2 36 50 E G E -A 43 0A 14 7,-1.1 7,-2.0 277,-0.1 -1,-0.4 -0.973 63.3-148.1-167.6 159.5 11.6 12.7 6.3 37 51 E T E +A 42 0A 86 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.833 16.7 171.6-135.5 165.5 14.8 14.1 4.9 38 52 E G E > -A 41 0A 38 3,-1.6 3,-1.3 -2,-0.3 -2,-0.0 -0.996 49.1 -70.6-166.2 172.8 17.1 13.4 2.0 39 53 E S T 3 S+ 0 0 64 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.751 126.4 9.3 -39.4 -41.6 20.0 14.4 -0.2 40 54 E F T 3 S+ 0 0 40 1,-0.1 21,-2.8 28,-0.0 2,-0.3 0.202 127.9 4.0-136.2 25.8 18.1 17.2 -1.9 41 55 E G E < -AB 38 60A 26 -3,-1.3 -3,-1.6 19,-0.2 2,-0.3 -0.978 56.8-120.0 179.3-176.8 14.8 17.8 -0.1 42 56 E R E -AB 37 59A 26 17,-0.8 17,-2.0 -2,-0.3 2,-0.5 -0.973 21.4-126.4-144.4 148.9 12.5 17.0 2.8 43 57 E V E -AB 36 58A 40 -7,-2.0 -8,-3.3 -2,-0.3 -7,-1.1 -0.904 31.5-160.4 -99.1 134.0 8.9 15.7 2.9 44 58 E M E -AB 34 57A 1 13,-2.7 13,-2.7 -2,-0.5 2,-0.4 -0.883 24.1-124.0-120.1 143.7 6.6 17.8 5.0 45 59 E L E +AB 33 56A 1 -12,-2.8 -13,-2.6 -2,-0.3 -12,-1.5 -0.725 47.3 179.5 -76.9 133.7 3.2 17.2 6.7 46 60 E V E -AB 31 55A 2 9,-2.2 9,-1.7 -2,-0.4 2,-0.4 -0.897 23.8-138.0-138.5 154.0 1.3 20.0 5.1 47 61 E K E -AB 30 54A 72 -17,-1.6 -17,-1.8 -2,-0.3 2,-1.0 -0.973 12.4-136.8-122.0 123.6 -2.4 21.1 5.4 48 62 E H E >>> -AB 29 53A 17 5,-2.4 4,-3.4 -2,-0.4 5,-0.8 -0.600 15.8-155.5 -76.1 107.1 -4.6 22.2 2.4 49 63 E M T 345S+ 0 0 103 -21,-2.2 -1,-0.2 -2,-1.0 -20,-0.1 0.672 87.1 52.0 -58.1 -22.4 -6.3 25.3 3.7 50 64 E E T 345S+ 0 0 114 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.872 124.6 24.2 -85.0 -32.2 -9.3 25.0 1.4 51 65 E T T <45S- 0 0 80 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.648 94.9-128.6-103.1 -18.8 -10.2 21.4 2.2 52 66 E G T <5 + 0 0 41 -4,-3.4 -3,-0.2 1,-0.2 2,-0.2 0.773 62.9 139.6 73.4 23.5 -8.6 21.1 5.7 53 67 E N E < -B 48 0A 76 -5,-0.8 -5,-2.4 254,-0.0 2,-0.4 -0.517 47.5-131.6 -96.3 166.9 -6.9 18.0 4.5 54 68 E H E +B 47 0A 43 -7,-0.2 54,-0.8 -2,-0.2 2,-0.3 -0.949 28.4 164.8-121.7 143.8 -3.3 16.8 5.2 55 69 E Y E -BC 46 107A 29 -9,-1.7 -9,-2.2 -2,-0.4 2,-0.5 -0.813 40.2-110.4-143.3 175.4 -0.8 15.5 2.7 56 70 E A E -BC 45 106A 12 50,-2.1 50,-3.6 -2,-0.3 2,-0.5 -0.982 33.2-158.0-113.4 118.3 2.9 14.9 2.5 57 71 E M E -BC 44 105A 3 -13,-2.7 -13,-2.7 -2,-0.5 2,-0.5 -0.925 3.9-149.4-101.6 125.6 4.5 17.5 0.3 58 72 E K E -BC 43 104A 33 46,-3.1 46,-1.4 -2,-0.5 2,-0.6 -0.834 10.2-160.4 -92.8 128.5 7.9 16.5 -1.2 59 73 E I E -BC 42 103A 9 -17,-2.0 -17,-0.8 -2,-0.5 2,-0.5 -0.928 5.6-169.8-115.0 110.8 10.1 19.5 -1.8 60 74 E L E -BC 41 102A 2 42,-2.9 42,-2.0 -2,-0.6 2,-0.5 -0.858 20.3-135.1 -99.9 127.2 13.0 19.1 -4.2 61 75 E D E > - C 0 101A 40 -21,-2.8 4,-1.3 -2,-0.5 40,-0.2 -0.709 13.2-148.8 -77.6 125.9 15.6 21.8 -4.5 62 76 E K H >> S+ 0 0 5 38,-1.8 4,-2.0 -2,-0.5 3,-0.6 0.950 93.2 49.5 -62.1 -48.0 16.2 22.3 -8.2 63 77 E Q H 3> S+ 0 0 87 37,-0.4 4,-3.0 1,-0.3 -1,-0.2 0.872 111.5 49.1 -59.4 -39.9 19.9 23.4 -7.9 64 78 E K H 3> S+ 0 0 83 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.728 107.7 53.3 -73.2 -26.9 20.8 20.4 -5.7 65 79 E V H <<>S+ 0 0 0 -4,-1.3 5,-2.8 -3,-0.6 6,-0.2 0.901 112.7 46.3 -71.5 -41.1 19.1 17.9 -8.1 66 80 E V H ><5S+ 0 0 48 -4,-2.0 3,-3.1 3,-0.2 -2,-0.2 0.983 110.8 50.6 -62.6 -59.1 21.2 19.4 -10.9 67 81 E K H 3<5S+ 0 0 142 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.813 115.0 45.4 -47.7 -37.7 24.5 19.3 -8.8 68 82 E L T 3<5S- 0 0 36 -4,-1.1 -1,-0.3 -5,-0.2 289,-0.3 0.355 112.3-124.2 -91.8 9.8 23.7 15.6 -8.0 69 83 E K T < 5 + 0 0 133 -3,-3.1 -3,-0.2 1,-0.1 4,-0.2 0.943 67.9 133.3 47.6 60.7 22.8 14.9 -11.6 70 84 E Q >< + 0 0 16 -5,-2.8 4,-2.0 2,-0.1 -4,-0.2 0.081 22.3 114.6-125.5 24.4 19.4 13.6 -10.8 71 85 E I H > S+ 0 0 44 -6,-0.2 4,-2.6 2,-0.2 5,-0.2 0.961 79.5 43.9 -61.1 -53.2 17.2 15.4 -13.4 72 86 E E H > S+ 0 0 126 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.946 115.0 49.7 -57.3 -52.4 16.0 12.4 -15.4 73 87 E H H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 111.2 49.4 -54.7 -39.8 15.3 10.4 -12.3 74 88 E T H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.920 111.6 49.3 -67.9 -40.1 13.3 13.3 -10.8 75 89 E L H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.918 109.1 51.9 -63.6 -43.4 11.4 13.6 -14.1 76 90 E N H X S+ 0 0 19 -4,-3.0 4,-3.0 1,-0.2 5,-0.4 0.889 106.7 57.1 -57.8 -43.3 10.7 9.8 -14.1 77 91 E E H X S+ 0 0 7 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.941 110.5 38.4 -54.6 -57.1 9.4 10.1 -10.6 78 92 E K H X S+ 0 0 6 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.909 118.6 50.1 -66.1 -38.6 6.7 12.7 -11.2 79 93 E R H X S+ 0 0 67 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.911 115.7 40.1 -67.3 -47.4 5.7 11.2 -14.6 80 94 E I H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.882 114.5 55.4 -68.1 -38.0 5.4 7.6 -13.3 81 95 E L H < S+ 0 0 8 -4,-2.2 11,-0.5 -5,-0.4 -2,-0.2 0.859 107.4 45.8 -65.0 -41.6 3.7 8.7 -10.1 82 96 E Q H < S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.753 115.0 51.6 -74.8 -16.9 0.9 10.7 -11.6 83 97 E A H < S+ 0 0 0 -4,-0.8 -2,-0.2 -5,-0.2 -68,-0.2 0.833 94.5 76.9 -89.6 -33.9 0.3 7.8 -14.0 84 98 E V < - 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