==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-JUL-01 1JLU . COMPND 2 MOLECULE: AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUB . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR MADHUSUDAN,E.A.TRAFNY,N.-H.XUONG,J.A.ADAMS,L.F.TEN EYCK,S.S. . 359 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 64.9 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 . 48 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 28.4 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 1 1 3 0 1 0 2 0 0 1 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 . 2 2 1 0 1 0 2 1 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 . 2 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 0 116 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -26.5 -4.9 -17.0 -13.2 2 13 E E H > + 0 0 160 2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.752 360.0 64.0 -93.4 -24.3 -6.4 -15.7 -16.3 3 14 E S H > S+ 0 0 77 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.804 102.6 51.3 -61.1 -34.7 -8.3 -13.1 -14.3 4 15 E V H > S+ 0 0 41 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.923 107.8 50.0 -67.3 -53.3 -4.9 -11.7 -13.3 5 16 E K H X S+ 0 0 52 -4,-1.0 4,-2.1 1,-0.3 -2,-0.2 0.888 113.6 46.8 -55.1 -43.6 -3.7 -11.5 -16.9 6 17 E E H X S+ 0 0 63 -4,-2.4 4,-1.9 2,-0.2 -1,-0.3 0.849 111.1 52.3 -70.6 -31.1 -6.9 -9.7 -17.8 7 18 E F H X S+ 0 0 82 -4,-1.1 4,-2.9 2,-0.2 3,-0.3 0.987 108.1 49.2 -64.8 -57.2 -6.6 -7.4 -14.9 8 19 E L H X S+ 0 0 32 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.888 106.4 59.6 -46.6 -46.6 -3.2 -6.4 -15.8 9 20 E A H X S+ 0 0 61 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.919 108.8 40.7 -51.7 -53.7 -4.3 -5.7 -19.3 10 21 E K H X S+ 0 0 70 -4,-1.9 4,-2.2 -3,-0.3 3,-0.3 0.949 114.0 55.6 -64.7 -43.5 -6.9 -3.1 -18.4 11 22 E A H X S+ 0 0 16 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.871 104.0 52.9 -56.0 -37.9 -4.5 -1.7 -15.9 12 23 E K H X S+ 0 0 56 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.898 107.3 53.9 -64.6 -37.6 -1.8 -1.2 -18.5 13 24 E E H X S+ 0 0 65 -4,-1.7 4,-2.1 -3,-0.3 -2,-0.2 0.947 108.4 47.6 -62.0 -46.4 -4.3 0.7 -20.6 14 25 E D H X S+ 0 0 53 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.978 112.5 49.4 -58.1 -52.9 -5.1 3.0 -17.8 15 26 E F H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.920 108.4 53.7 -51.6 -49.7 -1.4 3.6 -17.0 16 27 E L H X S+ 0 0 62 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.867 102.3 56.6 -58.3 -37.9 -0.6 4.3 -20.6 17 28 E K H X S+ 0 0 63 -4,-2.1 4,-1.0 -3,-0.3 -1,-0.2 0.962 116.5 37.1 -57.9 -46.2 -3.3 7.0 -21.0 18 29 E K H < S+ 0 0 79 -4,-1.7 -2,-0.2 68,-0.2 -1,-0.2 0.795 112.5 58.6 -72.7 -32.1 -1.6 8.8 -18.1 19 30 E W H < S+ 0 0 35 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.899 111.6 41.2 -66.3 -40.0 1.9 7.9 -19.1 20 31 E E H < S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.708 126.1 33.4 -82.6 -17.0 1.5 9.6 -22.5 21 32 E T S < S- 0 0 109 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.542 83.3-168.6-141.3 77.4 -0.4 12.6 -21.2 22 33 E P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.219 22.3-106.6 -74.3 157.5 0.7 13.8 -17.6 23 34 E S - 0 0 59 59,-0.1 2,-0.3 -5,-0.1 3,-0.1 -0.472 33.9-169.6 -74.8 142.8 -0.7 16.1 -15.1 24 35 E Q - 0 0 102 -2,-0.2 75,-0.1 1,-0.2 315,-0.1 -0.999 53.6 -9.1-144.5 138.8 1.0 19.5 -14.4 25 36 E N + 0 0 77 -2,-0.3 74,-0.2 1,-0.1 -1,-0.2 0.931 62.8 159.0 40.6 75.5 0.7 22.2 -11.7 26 37 E T + 0 0 61 72,-2.4 2,-0.3 -3,-0.1 73,-0.2 0.350 59.9 17.6-103.8 4.7 -2.4 21.2 -9.8 27 38 E A - 0 0 11 71,-0.5 2,-0.3 73,-0.0 73,-0.2 -0.894 66.0-126.3-158.3-176.2 -1.8 23.1 -6.6 28 39 E Q > - 0 0 106 -2,-0.3 3,-0.8 71,-0.1 4,-0.1 -0.964 27.8-115.6-143.1 153.9 0.1 25.9 -5.0 29 40 E L G > S+ 0 0 57 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.876 112.4 56.1 -55.6 -45.4 2.3 26.1 -2.0 30 41 E D G 3 S+ 0 0 99 1,-0.3 -1,-0.2 -3,-0.0 22,-0.1 0.673 86.3 76.8 -63.6 -24.1 -0.1 28.4 -0.2 31 42 E Q G < S+ 0 0 56 -3,-0.8 21,-2.4 20,-0.1 22,-0.5 0.493 99.8 53.8 -67.9 0.3 -3.0 26.1 -0.5 32 43 E F E < S-A 51 0A 11 -3,-1.2 2,-0.4 19,-0.3 19,-0.2 -0.928 72.1-134.0-136.0 162.2 -1.3 24.2 2.4 33 44 E D E -A 50 0A 66 17,-2.2 17,-1.7 -2,-0.3 2,-1.0 -0.909 25.3-125.5-115.0 139.4 0.1 24.6 5.9 34 45 E R E +A 49 0A 64 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.753 35.1 168.8 -90.8 105.9 3.4 23.1 6.9 35 46 E I E - 0 0 83 13,-2.0 2,-0.3 -2,-1.0 -1,-0.2 0.989 55.4 -27.6 -76.4 -68.5 2.8 21.0 9.9 36 47 E K E -A 48 0A 49 12,-0.9 12,-3.7 282,-0.0 -1,-0.3 -0.991 56.7-106.8-151.6 152.3 6.0 18.9 10.5 37 48 E T E -A 47 0A 2 -2,-0.3 10,-0.3 282,-0.3 282,-0.3 -0.623 29.8-175.0 -78.6 140.1 8.9 17.4 8.7 38 49 E L E - 0 0 9 8,-4.3 279,-0.3 1,-0.4 2,-0.3 0.479 62.4 -9.6-113.3 -10.2 8.5 13.5 8.4 39 50 E G E -A 46 0A 6 7,-1.3 7,-2.9 277,-0.1 -1,-0.4 -0.939 59.1-130.6-179.4 156.2 11.7 12.6 6.8 40 51 E T E -A 45 0A 78 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.916 24.2-175.9-122.0 149.9 14.8 13.9 5.2 41 52 E G - 0 0 47 3,-3.1 315,-0.0 -2,-0.4 4,-0.0 -0.512 39.9 -89.5-127.0-163.0 16.4 12.9 2.0 42 53 E S S S+ 0 0 53 -2,-0.2 -1,-0.1 1,-0.1 3,-0.0 0.936 121.3 11.0 -77.2 -53.9 19.3 13.5 -0.2 43 54 E F S S+ 0 0 21 -3,-0.0 21,-2.5 28,-0.0 2,-0.3 0.461 134.2 0.4-109.0 -0.9 17.9 16.3 -2.3 44 55 E G E - B 0 63A 23 19,-0.2 -3,-3.1 23,-0.1 2,-0.3 -0.888 63.5-112.8-161.1-167.6 14.8 17.1 -0.3 45 56 E R E -AB 40 62A 42 17,-1.6 17,-2.6 -2,-0.3 2,-0.5 -0.941 19.0-124.1-140.4 162.7 12.5 16.5 2.6 46 57 E V E -AB 39 61A 41 -7,-2.9 -8,-4.3 -2,-0.3 -7,-1.3 -0.925 28.6-172.8-112.7 133.5 9.1 15.2 3.4 47 58 E M E -AB 37 60A 3 13,-2.7 13,-3.2 -2,-0.5 2,-0.5 -0.949 28.4-123.2-128.0 148.4 6.6 17.2 5.3 48 59 E L E -AB 36 59A 0 -12,-3.7 -13,-2.0 -2,-0.4 -12,-0.9 -0.718 43.9-177.3 -83.5 129.8 3.2 16.7 6.8 49 60 E V E -AB 34 58A 2 9,-3.0 9,-1.8 -2,-0.5 2,-0.4 -0.830 21.8-138.9-127.9 165.4 1.1 19.3 5.2 50 61 E K E -AB 33 57A 63 -17,-1.7 -17,-2.2 -2,-0.3 2,-0.6 -0.973 13.5-137.0-133.5 121.1 -2.5 20.5 5.5 51 62 E H E >> -AB 32 56A 17 5,-3.1 4,-3.8 -2,-0.4 5,-0.6 -0.621 10.4-154.5 -79.1 116.3 -4.7 21.5 2.7 52 63 E K T 45S+ 0 0 126 -21,-2.4 -1,-0.2 -2,-0.6 -20,-0.1 0.881 87.9 52.0 -58.8 -43.8 -6.6 24.6 3.5 53 64 E E T 45S+ 0 0 91 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.865 127.9 19.4 -67.2 -32.6 -9.5 24.1 1.3 54 65 E S T 45S- 0 0 60 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.708 90.5-129.9-111.5 -14.0 -10.3 20.7 2.5 55 66 E G T <5 + 0 0 35 -4,-3.8 2,-0.3 1,-0.3 -3,-0.2 0.726 60.8 141.0 71.8 26.3 -8.6 20.4 5.8 56 67 E N E < -B 51 0A 84 -5,-0.6 -5,-3.1 255,-0.0 2,-0.3 -0.752 48.1-128.0-100.9 149.4 -7.0 17.1 4.7 57 68 E H E +B 50 0A 48 -2,-0.3 54,-0.9 -7,-0.2 2,-0.3 -0.731 30.6 169.7 -98.6 147.2 -3.5 16.1 5.5 58 69 E Y E -BC 49 110A 19 -9,-1.8 -9,-3.0 -2,-0.3 2,-0.6 -0.923 35.7-113.9-146.7 167.3 -0.9 15.0 3.0 59 70 E A E -BC 48 109A 9 50,-3.0 50,-3.5 -2,-0.3 2,-0.5 -0.950 32.2-156.6-109.7 121.2 2.8 14.3 2.8 60 71 E M E -BC 47 108A 2 -13,-3.2 -13,-2.7 -2,-0.6 2,-0.5 -0.906 3.8-150.9-104.9 128.5 4.4 16.7 0.6 61 72 E K E -BC 46 107A 29 46,-3.7 46,-2.2 -2,-0.5 2,-0.5 -0.828 12.7-165.1 -95.2 129.5 7.7 15.9 -1.0 62 73 E I E -BC 45 106A 4 -17,-2.6 -17,-1.6 -2,-0.5 2,-0.4 -0.950 4.2-171.6-122.2 117.9 9.9 18.9 -1.6 63 74 E L E -BC 44 105A 2 42,-2.1 42,-2.0 -2,-0.5 2,-0.6 -0.888 22.9-129.4-109.6 126.4 13.0 18.7 -4.0 64 75 E D E >> - C 0 104A 34 -21,-2.5 4,-3.0 -2,-0.4 3,-0.6 -0.593 12.3-147.7 -76.1 116.8 15.6 21.4 -4.4 65 76 E K H 3> S+ 0 0 2 38,-2.3 4,-2.2 -2,-0.6 -1,-0.2 0.885 96.8 48.8 -47.8 -44.3 16.0 22.2 -8.1 66 77 E Q H 3> S+ 0 0 69 37,-0.5 4,-2.5 2,-0.2 -1,-0.3 0.805 111.3 45.1 -67.3 -35.3 19.5 23.0 -7.5 67 78 E K H <> S+ 0 0 99 -3,-0.6 4,-1.9 2,-0.2 6,-0.2 0.833 110.3 55.1 -77.4 -37.2 20.5 20.0 -5.6 68 79 E V H <>S+ 0 0 0 -4,-3.0 5,-2.6 -25,-0.2 6,-0.3 0.960 112.3 48.0 -58.6 -43.9 18.7 17.7 -8.0 69 80 E V H ><5S+ 0 0 44 -4,-2.2 3,-2.8 -5,-0.3 -2,-0.2 0.979 110.5 44.5 -59.4 -64.4 20.8 19.4 -10.6 70 81 E K H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.765 114.5 53.2 -54.1 -24.0 24.3 19.2 -9.0 71 82 E L T 3<5S- 0 0 63 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.291 110.2-127.6 -92.2 6.5 23.5 15.5 -8.1 72 83 E K T < 5 + 0 0 77 -3,-2.8 3,-0.3 1,-0.1 4,-0.2 0.818 67.5 134.1 47.9 42.4 22.6 14.8 -11.7 73 84 E Q >< + 0 0 8 -5,-2.6 4,-2.2 -6,-0.2 5,-0.2 0.123 24.7 116.7-103.6 20.7 19.2 13.4 -10.7 74 85 E I H > S+ 0 0 46 -6,-0.3 4,-1.8 -5,-0.2 -1,-0.2 0.909 77.1 41.6 -53.5 -53.6 17.3 15.3 -13.3 75 86 E E H > S+ 0 0 64 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.934 112.7 54.9 -62.7 -47.1 16.0 12.3 -15.3 76 87 E H H > S+ 0 0 17 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 107.9 49.8 -54.6 -39.5 15.3 10.4 -12.2 77 88 E T H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.870 110.9 48.7 -68.9 -36.6 13.1 13.2 -10.8 78 89 E L H X S+ 0 0 27 -4,-1.8 4,-3.2 -5,-0.2 -2,-0.2 0.959 112.6 49.2 -66.4 -42.4 11.2 13.4 -14.0 79 90 E N H X S+ 0 0 34 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.892 107.9 53.2 -59.2 -51.4 10.7 9.6 -14.0 80 91 E E H X S+ 0 0 4 -4,-2.3 4,-2.8 95,-0.2 5,-0.2 0.949 115.9 38.8 -52.9 -52.7 9.5 9.5 -10.4 81 92 E K H X S+ 0 0 5 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.953 115.8 50.4 -65.3 -49.9 6.8 12.1 -11.1 82 93 E R H X S+ 0 0 72 -4,-3.2 4,-0.6 -5,-0.2 -2,-0.2 0.940 117.8 40.9 -52.9 -51.3 5.8 10.9 -14.5 83 94 E I H >X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 3,-1.4 0.940 112.3 53.6 -64.5 -48.5 5.4 7.3 -13.2 84 95 E L H 3< S+ 0 0 5 -4,-2.8 11,-0.5 -5,-0.4 -1,-0.2 0.890 106.0 52.3 -57.3 -39.6 3.7 8.2 -9.9 85 96 E Q H 3< S+ 0 0 30 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.708 114.0 46.4 -71.3 -13.8 1.0 10.2 -11.5 86 97 E A H << S+ 0 0 1 -3,-1.4 -2,-0.2 -4,-0.6 -68,-0.2 0.736 94.6 81.5-101.1 -25.9 0.2 7.3 -13.8 87 98 E V < - 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