==== 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 26-JUL-06 2IZU . COMPND 2 MOLECULE: CASEIN KINASE I ISOFORM GAMMA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.BUNKOCZI,E.SALAH,P.RELLOS,S.DAS,O.FEDOROV,P.SAVITSKY, . 297 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.3 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 1 0 0 0 2 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 3 0 0 1 2 1 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 1 0 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 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 36 A V 0 0 163 0, 0.0 2,-0.4 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0 126.4 -47.6 37.6 -33.9 2 37 A L + 0 0 56 8,-0.3 8,-2.6 70,-0.1 2,-0.3 -0.651 360.0 178.7 -78.5 126.2 -44.5 38.0 -31.8 3 38 A M E -A 9 0A 62 -2,-0.4 2,-0.5 6,-0.2 6,-0.2 -0.919 21.8-151.2-124.9 149.2 -41.4 38.9 -33.9 4 39 A V E >> S-A 8 0A 0 4,-2.8 4,-2.1 -2,-0.3 3,-0.6 -0.996 71.1 -25.4-117.2 129.4 -37.8 39.6 -32.9 5 40 A G T 34 S- 0 0 30 66,-0.6 63,-0.0 -2,-0.5 65,-0.0 -0.201 108.4 -51.5 60.7-162.4 -36.0 42.0 -35.2 6 41 A P T 34 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.682 134.1 23.0 -76.0 -16.1 -37.3 42.3 -38.8 7 42 A N T <4 S+ 0 0 18 -3,-0.6 20,-2.7 1,-0.0 2,-0.7 0.444 87.2 98.2-139.6 -8.2 -37.2 38.6 -39.5 8 43 A F E < -AB 4 26A 7 -4,-2.1 -4,-2.8 18,-0.2 2,-0.4 -0.861 51.0-157.3-101.7 116.4 -37.4 36.1 -36.6 9 44 A R E -AB 3 25A 95 16,-3.0 16,-1.9 -2,-0.7 2,-0.5 -0.745 13.1-135.8 -90.7 135.0 -40.8 34.7 -35.9 10 45 A V E + B 0 24A 14 -8,-2.6 -8,-0.3 -2,-0.4 14,-0.2 -0.814 32.0 172.9 -95.0 122.6 -41.4 33.5 -32.3 11 46 A G E - 0 0 27 12,-3.3 3,-0.1 -2,-0.5 13,-0.1 -0.034 36.0 -22.1-108.7-148.4 -43.2 30.1 -32.2 12 47 A K E - 0 0 126 10,-0.1 11,-3.0 1,-0.1 -1,-0.3 -0.139 66.5 -98.4 -66.3 154.1 -44.2 27.5 -29.5 13 48 A K E + B 0 22A 97 9,-0.2 9,-0.3 1,-0.1 -1,-0.1 -0.509 37.2 175.4 -67.5 131.0 -42.6 27.0 -26.2 14 49 A I E - 0 0 58 7,-3.0 2,-0.3 1,-0.4 8,-0.2 0.396 62.8 -26.6-116.6 -0.5 -40.0 24.1 -26.3 15 50 A G E B 0 21A 24 6,-1.3 6,-3.0 0, 0.0 -1,-0.4 -0.966 360.0 360.0 170.7 173.5 -38.7 24.4 -22.7 16 51 A C 0 0 125 -2,-0.3 4,-0.2 4,-0.3 3,-0.1 -0.991 360.0 360.0-121.3 360.0 -38.1 26.7 -19.7 17 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 54 A F 0 0 89 0, 0.0 19,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 106.0 -34.9 32.2 -16.1 19 55 A G - 0 0 26 -3,-0.1 2,-0.3 17,-0.1 19,-0.2 -0.106 360.0 -69.5 84.9-176.8 -37.3 32.6 -19.0 20 56 A E E - C 0 37A 47 17,-1.0 17,-2.8 -4,-0.2 2,-0.5 -0.868 31.4-135.2-111.0 153.4 -38.8 30.4 -21.7 21 57 A L E -BC 15 36A 53 -6,-3.0 -7,-3.0 -2,-0.3 -6,-1.3 -0.947 27.6-168.7-105.9 128.0 -37.2 28.8 -24.7 22 58 A R E -BC 13 35A 39 13,-3.3 13,-2.7 -2,-0.5 2,-0.3 -0.900 26.1-119.1-114.1 147.1 -39.2 29.1 -27.9 23 59 A L E - C 0 34A 17 -11,-3.0 -12,-3.3 -2,-0.4 2,-0.3 -0.615 43.9-178.0 -69.1 134.8 -39.0 27.5 -31.3 24 60 A G E -BC 10 33A 3 9,-2.6 9,-2.2 -2,-0.3 2,-0.4 -0.871 19.2-143.3-131.2 171.7 -38.4 30.3 -33.8 25 61 A K E -BC 9 32A 37 -16,-1.9 -16,-3.0 -2,-0.3 2,-1.1 -0.994 13.6-138.7-139.1 128.8 -38.0 30.7 -37.5 26 62 A N E >>> -BC 8 31A 19 5,-3.5 4,-1.5 -2,-0.4 5,-1.3 -0.778 20.6-167.3 -77.7 103.5 -35.8 33.0 -39.6 27 63 A L T 345S+ 0 0 84 -20,-2.7 -1,-0.2 -2,-1.1 -19,-0.1 0.753 82.2 60.4 -67.6 -25.3 -38.3 34.0 -42.2 28 64 A Y T 345S+ 0 0 168 -21,-0.4 -1,-0.2 1,-0.2 -20,-0.1 0.779 120.9 23.1 -72.4 -25.5 -35.6 35.5 -44.4 29 65 A T T <45S- 0 0 67 -3,-0.8 -2,-0.2 -22,-0.2 -1,-0.2 0.412 99.3-119.6-124.1 -0.5 -33.7 32.1 -44.7 30 66 A N T <5 + 0 0 124 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.919 68.3 136.7 59.4 44.8 -36.4 29.4 -44.0 31 67 A E E < -C 26 0A 107 -5,-1.3 -5,-3.5 0, 0.0 -1,-0.2 -0.987 53.4-129.0-127.0 134.0 -34.3 28.2 -41.0 32 68 A Y E +C 25 0A 76 -2,-0.4 50,-0.5 -7,-0.3 -7,-0.3 -0.527 32.6 177.5 -77.4 146.9 -35.5 27.2 -37.6 33 69 A V E -C 24 0A 3 -9,-2.2 -9,-2.6 -2,-0.2 2,-0.4 -0.857 30.5-107.1-138.8 169.7 -33.8 28.9 -34.6 34 70 A A E -CD 23 80A 9 46,-3.6 46,-3.0 -2,-0.3 2,-0.5 -0.884 27.8-162.7-101.5 138.6 -34.0 28.9 -30.8 35 71 A I E -CD 22 79A 0 -13,-2.7 -13,-3.3 -2,-0.4 2,-0.5 -0.963 2.8-160.5-125.6 114.8 -35.3 32.0 -29.1 36 72 A K E -CD 21 78A 39 42,-2.6 42,-2.5 -2,-0.5 2,-0.4 -0.828 13.7-161.0 -92.0 126.1 -34.7 32.5 -25.4 37 73 A L E -CD 20 77A 2 -17,-2.8 -17,-1.0 -2,-0.5 40,-0.2 -0.894 12.1-176.6-110.1 138.6 -37.1 35.0 -23.8 38 74 A E E - D 0 76A 9 38,-2.6 38,-2.9 -2,-0.4 -2,-0.0 -0.989 34.6-111.2-130.0 126.9 -36.7 37.0 -20.6 39 75 A P E > - D 0 75A 48 0, 0.0 3,-1.6 0, 0.0 36,-0.3 -0.288 16.2-137.8 -54.1 132.4 -39.5 39.2 -19.2 40 76 A M T 3 S+ 0 0 91 34,-3.0 35,-0.1 1,-0.3 33,-0.0 0.834 105.6 61.0 -56.8 -32.4 -38.5 42.9 -19.4 41 77 A K T 3 S+ 0 0 116 33,-0.5 -1,-0.3 2,-0.1 34,-0.1 0.544 80.3 136.8 -71.0 -9.7 -40.0 43.2 -15.9 42 78 A S < - 0 0 34 -3,-1.6 2,-0.6 1,-0.1 -4,-0.0 -0.033 52.5-140.1 -47.0 133.0 -37.5 40.6 -14.5 43 79 A R S S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.0 -2,-0.1 -0.894 93.5 18.2 -89.2 122.8 -35.9 41.3 -11.1 44 80 A A S S- 0 0 73 -2,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.970 88.6-150.6 74.3 65.3 -32.3 40.1 -11.7 45 81 A P + 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.347 25.1 169.6 -63.1 144.3 -32.0 40.1 -15.5 46 82 A Q > + 0 0 72 3,-0.1 4,-2.1 2,-0.1 5,-0.2 0.493 55.0 83.4-127.6 -15.5 -29.5 37.5 -16.9 47 83 A L H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 91.4 48.2 -69.6 -44.9 -30.2 37.5 -20.7 48 84 A H H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 112.2 51.4 -60.5 -36.4 -28.0 40.5 -21.7 49 85 A L H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 109.8 49.1 -68.4 -42.4 -25.1 39.1 -19.6 50 86 A E H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.915 109.5 52.1 -59.6 -45.5 -25.4 35.7 -21.3 51 87 A Y H X S+ 0 0 67 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.922 107.6 52.5 -58.4 -44.6 -25.4 37.4 -24.8 52 88 A R H X S+ 0 0 54 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.894 110.3 48.2 -59.7 -41.4 -22.2 39.3 -23.8 53 89 A F H X S+ 0 0 33 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.932 109.6 51.7 -64.8 -44.6 -20.5 36.0 -22.8 54 90 A Y H X S+ 0 0 10 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.900 110.4 49.8 -56.0 -42.5 -21.6 34.3 -26.1 55 91 A K H < S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 108.7 51.9 -66.5 -37.6 -20.1 37.3 -28.0 56 92 A Q H < S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 109.5 50.4 -64.6 -35.2 -16.9 36.9 -26.0 57 93 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.838 92.0 178.5 -69.2 -36.0 -16.8 33.2 -26.9 58 94 A G < - 0 0 38 -4,-1.7 2,-0.7 -5,-0.2 -1,-0.2 -0.229 47.7 -14.4 67.3-151.6 -17.3 34.0 -30.6 59 95 A S S S+ 0 0 118 -4,-0.1 2,-0.3 6,-0.1 6,-0.1 -0.777 82.2 149.1 -92.2 114.1 -17.4 31.4 -33.3 60 96 A G > - 0 0 18 -2,-0.7 3,-2.0 3,-0.4 2,-0.1 -0.976 54.9 -83.5-145.4 154.9 -16.0 28.2 -31.8 61 97 A D T 3 S+ 0 0 117 -2,-0.3 55,-0.1 1,-0.3 -2,-0.0 -0.392 116.9 7.4 -58.7 125.3 -16.5 24.4 -32.3 62 98 A G T 3 S+ 0 0 6 1,-0.2 85,-2.2 -2,-0.1 -1,-0.3 0.588 99.0 122.8 75.1 10.9 -19.5 23.3 -30.3 63 99 A I < - 0 0 8 -3,-2.0 -3,-0.4 83,-0.2 -1,-0.2 -0.927 68.7-116.1-103.2 121.3 -20.4 26.9 -29.3 64 100 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 19,-0.0 -0.299 29.3-117.7 -56.1 133.7 -24.0 27.8 -30.4 65 101 A Q - 0 0 98 17,-0.1 16,-2.7 -6,-0.1 2,-0.4 -0.507 23.6-145.6 -68.7 141.0 -24.2 30.6 -33.0 66 102 A V E +E 80 0A 28 14,-0.2 14,-0.3 -2,-0.2 3,-0.1 -0.947 21.4 174.0-113.1 132.9 -25.9 33.8 -31.8 67 103 A Y E - 0 0 89 12,-3.1 2,-0.3 -2,-0.4 13,-0.2 0.683 56.8 -0.8-111.0 -28.8 -28.0 35.7 -34.4 68 104 A Y E -E 79 0A 83 11,-1.6 11,-3.0 2,-0.0 2,-0.4 -0.977 41.3-163.3-165.5 148.2 -29.8 38.5 -32.6 69 105 A F E +E 78 0A 58 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.978 42.2 107.2-134.5 126.4 -30.5 40.2 -29.3 70 106 A G E -E 77 0A 6 7,-2.4 7,-2.6 -2,-0.4 2,-0.1 -0.985 61.9 -53.9-179.2 179.0 -33.5 42.6 -28.9 71 107 A P E -E 76 0A 91 0, 0.0 -66,-0.6 0, 0.0 2,-0.3 -0.339 35.6-178.6 -74.0 149.2 -36.9 43.4 -27.6 72 108 A C E > -E 75 0A 2 3,-3.2 3,-2.5 1,-0.2 -68,-0.1 -0.817 59.6 -64.1-151.7 95.9 -39.9 41.2 -28.3 73 109 A G T 3 S- 0 0 61 -2,-0.3 -1,-0.2 1,-0.3 -71,-0.0 -0.391 121.5 -13.7 53.3-122.9 -43.2 42.5 -26.9 74 110 A K T 3 S+ 0 0 76 -3,-0.1 -34,-3.0 -2,-0.1 -33,-0.5 0.213 129.1 80.5 -88.8 13.0 -42.8 42.4 -23.1 75 111 A Y E < S-DE 39 72A 49 -3,-2.5 -3,-3.2 -36,-0.3 2,-0.4 -0.834 72.9-131.1-118.6 154.0 -39.6 40.4 -23.4 76 112 A N E -DE 38 71A 47 -38,-2.9 -38,-2.6 -2,-0.3 2,-0.4 -0.877 38.0-157.6 -89.5 139.8 -35.9 40.6 -24.2 77 113 A A E -DE 37 70A 0 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.5 -0.946 18.5-164.5-127.9 137.0 -35.1 38.0 -26.7 78 114 A M E -DE 36 69A 0 -42,-2.5 -42,-2.6 -2,-0.4 2,-0.5 -0.997 13.3-154.0-120.7 126.5 -31.9 36.2 -27.7 79 115 A V E +DE 35 68A 0 -11,-3.0 -12,-3.1 -2,-0.5 -11,-1.6 -0.900 27.2 158.2-106.4 123.8 -32.0 34.3 -31.0 80 116 A L E -DE 34 66A 11 -46,-3.0 -46,-3.6 -2,-0.5 -14,-0.2 -0.869 46.0 -65.0-138.3 169.6 -29.5 31.5 -31.3 81 117 A E - 0 0 38 -16,-2.7 2,-0.4 -2,-0.3 -48,-0.2 -0.341 51.8-122.7 -58.1 130.6 -28.7 28.2 -33.1 82 118 A L - 0 0 6 -50,-0.5 54,-0.5 -2,-0.1 2,-0.2 -0.678 34.8-171.9 -81.3 130.2 -31.3 25.5 -32.5 83 119 A L - 0 0 15 -2,-0.4 52,-0.2 1,-0.2 3,-0.1 -0.625 16.9-112.8-121.5 172.6 -29.8 22.3 -31.1 84 120 A G - 0 0 7 50,-2.7 -1,-0.2 1,-0.2 52,-0.2 0.044 58.1 -36.7 -91.2-159.9 -31.0 18.8 -30.4 85 121 A P - 0 0 8 0, 0.0 49,-2.2 0, 0.0 -1,-0.2 -0.193 61.1-114.1 -62.6 156.6 -31.5 16.8 -27.1 86 122 A S B > -F 133 0B 8 47,-0.2 4,-2.5 -3,-0.1 47,-0.3 -0.338 28.0-104.6 -82.9 166.6 -29.3 17.2 -24.1 87 123 A L H > S+ 0 0 0 45,-2.4 4,-2.4 42,-1.3 43,-0.2 0.846 123.4 54.9 -59.6 -33.2 -27.0 14.5 -22.6 88 124 A E H > S+ 0 0 23 41,-0.7 4,-2.4 44,-0.2 -1,-0.2 0.944 108.7 47.5 -64.5 -47.9 -29.5 14.0 -19.8 89 125 A D H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.918 115.6 44.6 -54.5 -48.2 -32.3 13.4 -22.4 90 126 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.846 108.9 57.0 -69.4 -32.9 -30.0 11.0 -24.3 91 127 A F H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 6,-0.4 0.923 108.2 48.1 -61.4 -45.4 -28.9 9.3 -21.0 92 128 A D H ><5S+ 0 0 77 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.909 108.4 54.0 -59.4 -44.5 -32.6 8.6 -20.2 93 129 A L H 3<5S+ 0 0 56 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.779 108.1 50.8 -59.9 -29.8 -33.1 7.2 -23.7 94 130 A C T ><5S- 0 0 12 -4,-1.3 3,-0.7 -3,-0.4 -1,-0.3 0.007 124.8-100.1-100.8 24.8 -30.1 4.8 -23.1 95 131 A D T < 5S- 0 0 139 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.776 70.7 -65.9 62.1 31.4 -31.6 3.5 -19.8 96 132 A R T 3 - 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