==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/CELL CYCLE 03-OCT-01 1K3Q . COMPND 2 MOLECULE: PROTEIN KINASE SPK1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.YUAN,S.YONGKIETTRAKUL,I.-J.L.BYEON,S.ZHOU,M.-D.TSAI . 164 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 17 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 0 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 14 A A 0 0 149 0, 0.0 2,-0.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 70.1 -14.4 40.6 -19.2 2 15 A T > + 0 0 84 1,-0.2 4,-1.6 2,-0.1 5,-0.1 -0.652 360.0 150.2-104.6 75.2 -12.6 37.4 -20.2 3 16 A Q H > S+ 0 0 157 -2,-0.9 4,-1.2 2,-0.2 -1,-0.2 0.930 79.0 40.6 -70.1 -47.0 -9.3 38.8 -21.5 4 17 A R H > S+ 0 0 216 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.866 113.7 54.6 -69.4 -37.0 -7.3 35.7 -20.6 5 18 A F H > S+ 0 0 136 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.862 102.0 58.5 -64.6 -36.6 -10.1 33.4 -21.8 6 19 A L H < S+ 0 0 113 -4,-1.6 4,-0.5 1,-0.2 3,-0.3 0.895 106.7 47.3 -60.3 -41.5 -10.1 35.0 -25.2 7 20 A I H >X S+ 0 0 106 -4,-1.2 3,-1.3 1,-0.2 4,-0.8 0.849 102.3 63.6 -69.1 -35.2 -6.5 34.1 -25.7 8 21 A E H >X S+ 0 0 128 -4,-1.6 4,-1.8 1,-0.3 3,-0.5 0.862 97.9 56.9 -57.4 -35.2 -7.1 30.5 -24.6 9 22 A K H 3< S+ 0 0 161 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.745 92.2 73.0 -67.2 -23.8 -9.4 30.2 -27.6 10 23 A F H <4 S+ 0 0 183 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.922 106.7 32.5 -56.7 -47.5 -6.5 31.2 -29.8 11 24 A S H << S+ 0 0 68 -4,-0.8 2,-2.7 -3,-0.5 -2,-0.2 0.920 78.1 164.8 -76.0 -46.8 -4.8 27.8 -29.3 12 25 A Q < + 0 0 159 -4,-1.8 2,-0.6 2,-0.0 -1,-0.2 -0.366 65.0 49.3 64.9 -75.1 -8.0 25.8 -29.0 13 26 A E S S- 0 0 141 -2,-2.7 2,-0.6 -3,-0.2 -4,-0.0 -0.857 71.7-165.7-100.5 121.9 -6.2 22.4 -29.5 14 27 A Q - 0 0 118 -2,-0.6 3,-0.5 0, 0.0 2,-0.3 -0.911 9.2-150.7-111.0 111.0 -3.1 21.8 -27.3 15 28 A I S S+ 0 0 119 -2,-0.6 -2,-0.0 1,-0.2 0, 0.0 -0.583 77.0 21.1 -81.9 138.4 -1.0 18.9 -28.4 16 29 A G + 0 0 16 -2,-0.3 -1,-0.2 2,-0.0 20,-0.0 0.934 67.5 169.6 73.1 48.8 1.0 17.0 -25.8 17 30 A E S S- 0 0 125 -3,-0.5 -2,-0.1 1,-0.2 19,-0.0 0.912 83.2 -35.7 -56.2 -46.8 -1.1 18.0 -22.8 18 31 A N S S+ 0 0 45 20,-0.1 19,-2.3 17,-0.1 2,-0.3 0.002 90.7 159.7-171.2 35.2 0.7 15.5 -20.6 19 32 A I E -A 36 0A 28 17,-0.3 17,-0.3 1,-0.2 119,-0.3 -0.559 20.4-177.6 -77.8 131.7 1.3 12.7 -22.9 20 33 A V E - 0 0 0 15,-2.5 115,-1.2 1,-0.4 2,-0.3 0.914 66.5 -21.8 -89.3 -61.7 4.0 10.2 -22.0 21 34 A C E -AB 35 134A 2 14,-1.4 14,-3.1 113,-0.2 2,-0.4 -0.976 57.5-132.7-150.2 158.0 3.9 7.8 -24.9 22 35 A R E -AB 34 133A 92 111,-3.4 111,-4.3 -2,-0.3 2,-0.6 -0.947 11.6-144.1-120.1 138.2 1.5 6.7 -27.7 23 36 A V E -AB 33 132A 1 10,-2.0 10,-1.9 -2,-0.4 2,-0.5 -0.879 16.7-175.3-104.1 122.8 0.6 3.2 -28.8 24 37 A I E - B 0 131A 31 107,-3.8 107,-2.8 -2,-0.6 2,-0.7 -0.960 18.9-141.9-121.4 117.6 -0.1 2.6 -32.5 25 38 A C + 0 0 16 5,-0.6 3,-0.4 -2,-0.5 105,-0.2 -0.665 19.2 178.5 -80.0 111.8 -1.2 -0.8 -33.8 26 39 A T S S+ 0 0 88 -2,-0.7 -1,-0.2 103,-0.5 104,-0.1 0.676 78.5 62.2 -85.2 -19.8 0.5 -1.4 -37.1 27 40 A T S S- 0 0 53 102,-1.1 -1,-0.2 3,-0.0 103,-0.1 0.511 112.8-116.7 -84.4 -3.0 -1.1 -4.9 -37.5 28 41 A G S S+ 0 0 62 -3,-0.4 -2,-0.1 101,-0.2 -4,-0.0 1.000 82.4 101.4 66.9 75.0 -4.5 -3.2 -37.6 29 42 A Q S S+ 0 0 101 1,-0.4 -3,-0.0 -4,-0.1 99,-0.0 0.414 71.9 46.3-148.5 -43.1 -6.5 -4.5 -34.6 30 43 A I S S- 0 0 11 36,-0.0 -5,-0.6 3,-0.0 -1,-0.4 -0.905 82.3-113.5-114.6 141.2 -6.5 -1.8 -31.8 31 44 A P - 0 0 85 0, 0.0 33,-0.1 0, 0.0 -8,-0.1 -0.449 43.6 -92.7 -72.9 141.9 -7.2 1.9 -32.3 32 45 A I - 0 0 102 -2,-0.1 2,-0.3 -7,-0.1 -8,-0.2 -0.287 52.0-179.8 -56.0 129.8 -4.3 4.3 -31.6 33 46 A R E -A 23 0A 85 -10,-1.9 -10,-2.0 -3,-0.1 2,-0.5 -0.854 22.4-130.5-129.2 164.0 -4.3 5.6 -28.0 34 47 A D E -A 22 0A 78 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.3 -0.958 11.9-148.2-124.2 119.6 -2.1 8.0 -26.1 35 48 A L E -A 21 0A 3 -14,-3.1 -15,-2.5 -2,-0.5 -14,-1.4 -0.641 26.5-177.6 -81.9 133.8 -0.6 7.1 -22.7 36 49 A S E -A 19 0A 30 -2,-0.3 2,-0.3 -17,-0.3 -17,-0.3 -0.970 18.9-175.3-138.9 155.7 -0.2 10.1 -20.4 37 50 A A - 0 0 1 -19,-2.3 2,-0.3 -2,-0.3 14,-0.0 -0.997 28.1-117.2-146.0 141.9 1.1 11.1 -17.0 38 51 A D > - 0 0 65 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.587 13.7-140.8 -82.9 140.7 1.0 14.4 -15.0 39 52 A I H > S+ 0 0 69 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.908 102.1 54.5 -64.2 -45.7 4.3 16.1 -14.1 40 53 A S H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 109.3 49.2 -56.9 -39.3 3.1 17.2 -10.7 41 54 A Q H > S+ 0 0 106 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.860 109.9 51.7 -68.5 -36.9 2.2 13.6 -10.0 42 55 A V H < S+ 0 0 19 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.920 113.7 42.3 -66.3 -45.6 5.7 12.4 -11.2 43 56 A L H < S+ 0 0 141 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.810 120.6 44.2 -71.0 -30.4 7.5 14.9 -9.0 44 57 A K H < S+ 0 0 178 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.889 97.0 85.0 -80.5 -43.0 5.2 14.1 -6.1 45 58 A E < + 0 0 74 -4,-3.4 5,-0.1 -5,-0.2 6,-0.1 -0.354 42.1 160.6 -63.0 137.0 5.2 10.3 -6.5 46 59 A K + 0 0 181 3,-0.1 -1,-0.1 4,-0.1 4,-0.1 0.011 38.3 109.3-148.2 30.1 8.1 8.6 -4.8 47 60 A R S S- 0 0 203 2,-0.6 -2,-0.1 3,-0.0 3,-0.0 -0.128 103.1 -92.0-101.2 35.9 6.9 5.0 -4.5 48 61 A S S S+ 0 0 120 -3,-0.0 2,-0.2 1,-0.0 -2,-0.0 0.774 110.4 61.2 60.8 26.0 9.4 3.7 -7.1 49 62 A I - 0 0 51 -7,-0.1 -2,-0.6 1,-0.1 32,-0.2 -0.797 51.0-177.0-179.3 134.5 6.7 4.3 -9.7 50 63 A K S S- 0 0 42 30,-1.7 2,-0.3 1,-0.3 31,-0.2 0.854 73.3 -13.6-101.0 -65.9 4.5 7.1 -11.1 51 64 A K E -F 80 0B 82 29,-1.3 29,-1.7 -6,-0.1 2,-0.4 -0.986 58.0-171.3-147.3 133.0 2.1 5.8 -13.6 52 65 A V E -F 79 0B 36 -2,-0.3 2,-0.4 27,-0.3 27,-0.3 -0.979 11.7-145.9-129.2 139.0 1.8 2.4 -15.4 53 66 A W E -F 78 0B 21 25,-3.8 25,-3.4 -2,-0.4 2,-0.5 -0.832 7.8-150.6-103.3 139.2 -0.5 1.2 -18.2 54 67 A T E -F 77 0B 14 -2,-0.4 9,-2.0 23,-0.3 8,-0.5 -0.914 12.8-165.4-111.3 130.2 -1.8 -2.3 -18.6 55 68 A F E +Fg 76 63B 0 21,-4.6 21,-1.8 -2,-0.5 20,-0.4 -0.891 32.5 86.7-115.9 145.7 -2.6 -3.7 -22.0 56 69 A G E S- g 0 64B 0 7,-2.1 9,-1.5 -2,-0.4 18,-0.3 -0.981 85.8 -57.3 160.7-169.2 -4.6 -6.7 -23.0 57 70 A R S S+ 0 0 29 15,-1.4 16,-0.2 -2,-0.3 17,-0.2 0.395 95.2 108.4 -83.6 3.1 -8.1 -8.2 -23.8 58 71 A N - 0 0 38 15,-2.7 -2,-0.2 5,-0.3 3,-0.2 -0.675 68.8-142.1 -84.9 132.8 -9.3 -7.0 -20.4 59 72 A P S S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.650 105.1 56.4 -66.1 -12.5 -11.8 -4.0 -20.4 60 73 A A S S+ 0 0 68 3,-0.1 -6,-0.2 -5,-0.0 4,-0.1 0.877 85.0 99.0 -82.7 -42.8 -10.0 -2.9 -17.2 61 74 A C S S- 0 0 6 1,-0.2 -6,-0.2 -3,-0.2 -5,-0.1 -0.092 87.1-121.1 -45.6 138.1 -6.6 -2.9 -18.9 62 75 A D S S+ 0 0 79 -8,-0.5 2,-0.4 1,-0.1 -7,-0.2 0.716 104.8 48.8 -56.4 -18.7 -5.6 0.6 -20.0 63 76 A Y E S-g 55 0B 3 -9,-2.0 -7,-2.1 -5,-0.1 2,-0.5 -0.985 73.6-157.4-129.6 125.8 -5.5 -1.0 -23.4 64 77 A H E -g 56 0B 66 -2,-0.4 -7,-0.2 -9,-0.2 10,-0.1 -0.886 13.3-164.9-104.8 123.6 -8.2 -3.1 -25.0 65 78 A L - 0 0 11 -9,-1.5 -35,-0.0 -2,-0.5 -1,-0.0 -0.092 40.3 -89.2 -90.3-167.6 -7.2 -5.6 -27.8 66 79 A G S S- 0 0 49 -36,-0.0 -9,-0.1 -2,-0.0 -36,-0.0 0.193 72.2 -93.7 -91.4 17.3 -9.4 -7.4 -30.3 67 80 A N - 0 0 102 1,-0.2 2,-0.5 5,-0.1 3,-0.1 0.992 52.6-170.4 69.5 78.8 -9.8 -10.4 -28.0 68 81 A I - 0 0 20 1,-0.1 -1,-0.2 4,-0.1 -11,-0.1 -0.892 22.9-146.9-106.0 124.7 -7.1 -12.8 -28.9 69 82 A S S S+ 0 0 74 -2,-0.5 89,-2.1 1,-0.2 -1,-0.1 0.853 102.6 50.6 -54.6 -37.1 -7.2 -16.3 -27.4 70 83 A R S S+ 0 0 14 87,-0.2 24,-0.3 50,-0.1 -1,-0.2 0.916 101.3 72.2 -68.5 -44.4 -3.4 -16.4 -27.4 71 84 A L S S- 0 0 0 48,-0.1 2,-0.2 49,-0.1 87,-0.1 -0.367 82.8-125.3 -72.8 152.1 -3.1 -13.0 -25.6 72 85 A S > - 0 0 5 85,-0.1 -15,-1.4 1,-0.1 3,-0.9 -0.526 28.5 -97.9 -95.7 165.6 -3.9 -12.6 -21.9 73 86 A N T 3 S+ 0 0 64 1,-0.3 -15,-2.7 -17,-0.2 2,-0.6 0.916 127.4 21.6 -42.6 -53.7 -6.4 -10.3 -20.2 74 87 A K T 3 S+ 0 0 85 -18,-0.3 -18,-0.3 17,-0.2 -1,-0.3 -0.816 78.8 170.7-118.7 82.5 -3.4 -8.0 -19.4 75 88 A H < - 0 0 0 -3,-0.9 16,-1.6 -2,-0.6 2,-0.3 0.908 65.4 -0.8 -61.7 -46.2 -0.9 -9.1 -22.0 76 89 A F E -FH 55 90B 1 -21,-1.8 -21,-4.6 14,-0.2 2,-0.3 -0.972 60.5-152.2-146.2 159.4 1.6 -6.3 -21.3 77 90 A Q E -FH 54 89B 52 12,-4.1 12,-3.5 -2,-0.3 2,-0.5 -0.994 6.5-149.7-136.0 141.8 2.1 -3.3 -19.0 78 91 A I E -FH 53 88B 1 -25,-3.4 -25,-3.8 -2,-0.3 2,-0.3 -0.939 13.1-161.4-114.8 129.9 4.0 -0.0 -19.5 79 92 A L E -FH 52 87B 15 8,-2.2 8,-3.0 -2,-0.5 2,-0.4 -0.817 4.1-154.5-110.5 149.7 5.5 1.9 -16.5 80 93 A L E +FH 51 86B 6 -29,-1.7 -30,-1.7 -2,-0.3 -29,-1.3 -0.982 45.9 84.0-125.1 124.7 6.6 5.5 -16.3 81 94 A G E > + H 0 85B 7 4,-1.4 4,-1.4 -2,-0.4 3,-0.1 -0.750 28.1 108.4-174.3-136.5 9.2 6.7 -13.8 82 95 A E T 4 S- 0 0 122 -2,-0.2 5,-0.0 1,-0.2 -33,-0.0 0.061 94.6 -52.8 61.3-178.7 13.0 7.0 -13.4 83 96 A D T 4 S- 0 0 166 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.823 123.3 -33.4 -59.9 -31.6 14.8 10.4 -13.5 84 97 A G T 4 S+ 0 0 24 -3,-0.1 2,-0.3 2,-0.0 -2,-0.2 0.175 112.2 94.9 175.3 43.8 13.2 11.0 -16.9 85 98 A N E < -H 81 0B 87 -4,-1.4 -4,-1.4 57,-0.0 2,-0.3 -0.875 59.2-118.6-139.1 170.7 12.6 7.8 -18.9 86 99 A L E -H 80 0B 10 -2,-0.3 25,-1.7 -6,-0.2 2,-0.3 -0.785 18.6-155.9-113.0 157.2 10.0 5.2 -19.6 87 100 A L E -HI 79 110B 23 -8,-3.0 -8,-2.2 -2,-0.3 2,-0.5 -0.972 8.0-141.7-133.3 147.3 9.9 1.4 -18.9 88 101 A L E -HI 78 109B 17 21,-1.9 21,-1.0 -2,-0.3 2,-0.6 -0.928 12.7-164.4-112.4 129.1 8.0 -1.4 -20.5 89 102 A N E -HI 77 108B 21 -12,-3.5 -12,-4.1 -2,-0.5 2,-0.2 -0.936 9.7-147.2-118.1 115.6 6.7 -4.3 -18.4 90 103 A D E +H 76 0B 1 17,-0.7 16,-3.4 -2,-0.6 -14,-0.2 -0.546 24.4 165.4 -78.0 139.0 5.6 -7.6 -20.0 91 104 A I + 0 0 30 -16,-1.6 -17,-0.2 -2,-0.2 2,-0.2 -0.082 26.5 129.5-147.1 39.7 2.8 -9.4 -18.3 92 105 A S - 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