==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-MAY-07 2UZW . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.D.ZHU,V.B.GANDHI,J.GONG,S.THOMAS,K.W.WOODS,X.SONG,T.LI, . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 64.3 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 12.9 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 . 26 7.3 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 75 0, 0.0 4,-2.9 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0 -82.1 -5.4 -10.9 -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 -35.2 -4.2 -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 -47.8 -7.6 -9.2 -17.5 4 18 E F H > S+ 0 0 74 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.928 113.6 44.4 -56.9 -56.3 -7.1 -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 -3.6 -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 -52.3 -4.9 -5.5 -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 -36.4 -7.4 -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 -4.7 -1.2 -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 -2.1 -0.7 -18.8 10 24 E E H X S+ 0 0 125 -4,-1.0 4,-1.6 -3,-0.2 -1,-0.2 0.842 106.0 45.3 -62.6 -40.8 -4.6 1.5 -20.6 11 25 E D H X S+ 0 0 74 -4,-0.9 4,-1.8 -3,-0.3 -1,-0.2 0.865 114.5 49.3 -72.3 -36.9 -5.2 4.0 -17.9 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 -63.7 -46.5 -1.4 4.3 -17.2 13 27 E L H X S+ 0 0 39 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.885 109.0 49.0 -57.6 -39.7 -0.7 4.7 -20.9 14 28 E K H X S+ 0 0 116 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.933 116.9 42.1 -63.9 -48.5 -3.1 7.6 -21.1 15 29 E K H < S+ 0 0 74 -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 -18.1 16 30 E W H < S+ 0 0 43 -4,-3.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 111.4 42.9 -54.4 -48.2 1.9 8.4 -19.3 17 31 E E H < S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.803 124.2 32.8 -70.8 -38.9 1.3 10.3 -22.5 18 32 E N S < S- 0 0 120 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.545 80.7-174.1-120.7 65.2 -0.4 13.3 -21.0 19 33 E P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.332 25.8-116.3 -58.6 142.6 1.2 13.8 -17.6 20 34 E A - 0 0 50 59,-0.1 2,-0.3 -5,-0.0 62,-0.1 -0.448 31.2-162.2 -80.2 156.9 -0.5 16.4 -15.4 21 35 E Q + 0 0 101 -2,-0.1 75,-0.1 1,-0.1 315,-0.1 -0.932 50.8 1.3-139.3 162.1 1.3 19.6 -14.3 22 36 E N + 0 0 71 -2,-0.3 74,-0.2 1,-0.2 -1,-0.1 0.755 55.8 167.0 26.9 65.2 1.0 22.5 -11.7 23 37 E T + 0 0 69 72,-2.0 2,-0.3 -3,-0.1 73,-0.2 0.247 60.4 2.9 -87.7 17.9 -2.1 21.4 -9.8 24 38 E A - 0 0 8 71,-0.5 2,-0.3 73,-0.1 73,-0.3 -0.989 63.8-111.3-179.3 176.0 -1.5 23.9 -6.9 25 39 E H > - 0 0 113 -2,-0.3 3,-1.0 1,-0.1 4,-0.2 -0.846 31.7-116.9-121.8 164.0 0.5 26.7 -5.2 26 40 E L G > S+ 0 0 57 -2,-0.3 3,-2.3 1,-0.2 2,-0.2 0.944 108.8 63.7 -66.3 -47.3 2.6 26.6 -2.0 27 41 E D G 3 S+ 0 0 121 1,-0.3 -1,-0.2 -3,-0.1 3,-0.0 0.232 86.3 70.4 -68.0 17.7 0.3 29.0 -0.2 28 42 E Q G < S+ 0 0 44 -3,-1.0 21,-2.2 -2,-0.2 22,-0.5 0.519 96.4 66.3-104.8 -10.6 -2.7 26.7 -0.2 29 43 E F E < S-A 48 0A 15 -3,-2.3 2,-0.6 19,-0.2 19,-0.2 -0.790 74.2-139.0-113.6 151.9 -0.9 24.5 2.3 30 44 E E E -A 47 0A 93 17,-1.8 17,-1.6 -2,-0.3 2,-0.3 -0.958 23.8-133.3-113.9 112.0 0.2 25.0 5.8 31 45 E R E +A 46 0A 83 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.500 37.0 160.7 -63.4 127.3 3.6 23.6 6.5 32 46 E I E - 0 0 67 13,-2.6 2,-0.3 -2,-0.3 14,-0.2 0.759 49.8 -13.9-118.7 -52.7 3.6 21.6 9.7 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 6.4 19.1 10.2 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 -61.9 126.5 9.3 17.3 8.5 35 49 E L E + 0 0 10 8,-3.3 2,-0.3 1,-0.4 279,-0.3 0.539 66.9 1.2-106.1 -14.0 8.6 13.6 8.3 36 50 E G E -A 43 0A 13 7,-1.1 7,-2.0 277,-0.1 -1,-0.4 -0.973 63.3-148.2-167.6 159.5 11.7 12.6 6.5 37 51 E T E +A 42 0A 86 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.833 16.7 171.5-135.5 165.6 14.9 14.0 5.0 38 52 E G E > -A 41 0A 37 3,-1.6 3,-1.3 -2,-0.3 -2,-0.0 -0.996 49.1 -70.5-166.2 172.8 17.2 13.4 2.1 39 53 E S T 3 S+ 0 0 64 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.752 126.4 9.3 -39.3 -41.6 20.1 14.3 -0.1 40 54 E F T 3 S+ 0 0 38 1,-0.1 21,-2.8 28,-0.0 2,-0.3 0.202 127.9 4.0-136.2 25.8 18.2 17.2 -1.8 41 55 E G E < -AB 38 60A 25 -3,-1.3 -3,-1.6 19,-0.2 2,-0.3 -0.978 56.8-120.0 179.4-176.8 14.9 17.7 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 21.4-126.4-144.3 148.8 12.6 16.9 2.9 43 57 E V E -AB 36 58A 40 -7,-2.0 -8,-3.3 -2,-0.3 -7,-1.1 -0.904 31.6-160.4 -99.0 134.0 9.0 15.5 3.1 44 58 E M E -AB 34 57A 1 13,-2.7 13,-2.7 -2,-0.5 2,-0.4 -0.883 24.1-124.0-120.2 143.7 6.7 17.7 5.2 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 -77.0 133.7 3.3 17.1 6.9 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 19.8 5.3 47 61 E K E -AB 30 54A 73 -17,-1.6 -17,-1.8 -2,-0.3 2,-1.0 -0.973 12.4-136.8-122.0 123.6 -2.3 21.0 5.6 48 62 E H E >>> -AB 29 53A 18 5,-2.4 4,-3.4 -2,-0.4 5,-0.8 -0.601 15.8-155.5 -76.1 107.1 -4.5 22.0 2.7 49 63 E M T 345S+ 0 0 102 -21,-2.2 -1,-0.2 -2,-1.0 -20,-0.1 0.671 87.1 52.0 -58.1 -22.3 -6.3 25.1 4.0 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 -32.3 -9.2 24.8 1.7 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 -10.1 21.3 2.5 52 66 E G T <5 + 0 0 40 -4,-3.4 -3,-0.2 1,-0.2 2,-0.2 0.773 63.0 139.6 73.4 23.6 -8.6 20.9 5.9 53 67 E N E < -B 48 0A 75 -5,-0.8 -5,-2.4 254,-0.0 2,-0.4 -0.515 47.5-131.6 -96.3 166.9 -6.8 17.8 4.7 54 68 E H E +B 47 0A 43 -7,-0.2 54,-0.8 -2,-0.2 2,-0.3 -0.950 28.4 164.8-121.7 143.8 -3.2 16.6 5.4 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 -0.7 15.4 2.9 56 70 E A E -BC 45 106A 12 50,-2.1 50,-3.6 -2,-0.3 2,-0.5 -0.982 33.2-158.0-113.5 118.3 3.0 14.7 2.7 57 71 E M E -BC 44 105A 2 -13,-2.7 -13,-2.7 -2,-0.5 2,-0.5 -0.925 3.9-149.4-101.5 125.6 4.6 17.4 0.5 58 72 E K E -BC 43 104A 32 46,-3.1 46,-1.4 -2,-0.5 2,-0.6 -0.834 10.2-160.4 -92.7 128.5 8.0 16.4 -1.0 59 73 E I E -BC 42 103A 9 -17,-2.0 -17,-0.8 -2,-0.5 2,-0.5 -0.928 5.6-169.8-115.0 110.7 10.2 19.5 -1.6 60 74 E L E -BC 41 102A 2 42,-2.9 42,-2.0 -2,-0.6 2,-0.5 -0.859 20.3-135.1 -99.9 127.2 13.1 19.0 -4.1 61 75 E D E > - C 0 101A 41 -21,-2.8 4,-1.3 -2,-0.5 40,-0.2 -0.710 13.2-148.8 -77.6 125.9 15.7 21.8 -4.3 62 76 E K H >> S+ 0 0 6 38,-1.8 4,-2.0 -2,-0.5 3,-0.6 0.950 93.2 49.5 -62.1 -48.0 16.3 22.4 -8.0 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 -40.0 19.9 23.4 -7.7 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 53.4 -73.2 -26.9 20.8 20.4 -5.5 65 79 E V H <<>S+ 0 0 0 -4,-1.3 5,-2.7 -3,-0.6 6,-0.2 0.900 112.7 46.3 -71.5 -41.1 19.1 17.9 -7.9 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 -10.7 67 81 E K H 3<5S+ 0 0 141 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.813 115.0 45.4 -47.7 -37.6 24.5 19.3 -8.6 68 82 E L T 3<5S- 0 0 36 -4,-1.1 -1,-0.3 -5,-0.2 289,-0.3 0.356 112.3-124.2 -91.9 9.8 23.7 15.7 -7.9 69 83 E K T < 5 + 0 0 133 -3,-3.1 -3,-0.2 1,-0.1 4,-0.2 0.942 67.9 133.3 47.6 60.7 22.8 15.0 -11.5 70 84 E Q >< + 0 0 15 -5,-2.7 4,-2.0 2,-0.1 -4,-0.2 0.081 22.3 114.6-125.6 24.4 19.4 13.7 -10.7 71 85 E I H > S+ 0 0 45 -6,-0.2 4,-2.6 2,-0.2 5,-0.2 0.961 79.5 43.9 -61.1 -53.2 17.2 15.5 -13.3 72 86 E E H > S+ 0 0 125 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.946 115.0 49.7 -57.3 -52.5 16.1 12.5 -15.3 73 87 E H H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 111.2 49.4 -54.6 -39.7 15.4 10.4 -12.2 74 88 E T H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.920 111.7 49.3 -67.9 -40.1 13.4 13.3 -10.7 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 -43.3 11.4 13.6 -13.9 76 90 E N H X S+ 0 0 19 -4,-3.0 4,-3.0 1,-0.2 5,-0.4 0.888 106.7 57.1 -57.9 -43.2 10.7 9.8 -14.0 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 9.5 10.1 -10.5 78 92 E K H X S+ 0 0 7 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.909 118.6 50.1 -66.0 -38.6 6.7 12.7 -11.0 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 -47.3 5.8 11.2 -14.4 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 -13.2 81 95 E L H < S+ 0 0 8 -4,-2.2 11,-0.5 -5,-0.4 -2,-0.2 0.859 107.5 45.8 -64.9 -41.6 3.8 8.7 -9.9 82 96 E Q H < S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.752 115.0 51.6 -74.8 -16.9 1.0 10.7 -11.5 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 -89.7 -33.8 0.3 7.8 -13.9 84 98 E V < - 0 0 14 -4,-1.9 2,-0.2 -69,-0.1 59,-0.0 -0.251 50.0-175.5 -77.9 166.1 0.1 4.7 -11.7 85 99 E N + 0 0 105 6,-0.1 -73,-0.1 -2,-0.0 -74,-0.1 -0.717 22.0 134.3-165.6 107.5 -2.9 3.6 -9.5 86 100 E F > - 0 0 21 -2,-0.2 3,-1.4 3,-0.2 53,-0.0 -0.977 59.8-109.1-151.9 154.4 -2.8 0.6 -7.1 87 101 E P T 3 S+ 0 0 37 0, 0.0 52,-0.0 0, 0.0 206,-0.0 0.621 115.0 47.4 -63.5 -16.4 -4.0 -0.0 -3.5 88 102 E F T 3 S+ 0 0 0 79,-0.1 80,-2.7 47,-0.1 2,-0.4 0.114 94.8 81.5-112.6 19.9 -0.4 -0.3 -2.2 89 103 E L B < S-e 168 0B 6 -3,-1.4 2,-0.2 78,-0.2 -3,-0.2 -0.941 84.9-107.1-120.7 145.4 1.3 2.8 -3.8 90 104 E V - 0 0 7 78,-2.1 2,-0.3 -2,-0.4 -2,-0.1 -0.553 35.6-116.6 -75.0 141.3 1.0 6.3 -2.3 91 105 E K - 0 0 98 -2,-0.2 16,-1.4 -6,-0.0 2,-0.6 -0.566 14.1-141.0 -77.4 129.3 -1.3 8.7 -4.2 92 106 E L E +D 106 0A 28 -11,-0.5 14,-0.3 -2,-0.3 3,-0.1 -0.791 23.5 177.6 -87.2 119.5 0.2 11.8 -5.8 93 107 E E E - 0 0 73 12,-3.0 2,-0.3 -2,-0.6 13,-0.2 0.793 57.5 -6.1 -93.4 -35.0 -2.3 14.5 -5.2 94 108 E F E -D 105 0A 34 11,-1.6 11,-1.8 2,-0.0 2,-0.3 -0.955 50.1-167.1-151.2 171.6 -0.6 17.5 -6.6 95 109 E S E +D 104 0A 5 -2,-0.3 -72,-2.0 9,-0.2 -71,-0.5 -0.946 20.7 144.0-162.2 146.2 2.5 18.9 -8.1 96 110 E F E -D 103 0A 4 7,-1.1 7,-2.2 -2,-0.3 2,-0.3 -0.917 24.8-146.7-166.7-178.3 3.8 22.4 -8.8 97 111 E K E -D 102 0A 55 -2,-0.3 2,-0.2 -73,-0.3 5,-0.2 -0.977 5.3-162.2-159.4 162.1 7.0 24.3 -8.8 98 112 E D - 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