==== 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 2IZS . 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, . 298 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 64.4 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 . 43 14.4 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 . 89 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 0 0 1 0 0 0 1 1 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 2 1 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 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 0 124 0, 0.0 9,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-161.1 56.0 -19.7 29.7 2 37 A L + 0 0 143 7,-0.1 8,-2.6 1,-0.1 2,-0.3 0.720 360.0 41.6 -72.5 -22.3 54.3 -20.3 33.1 3 38 A M E -A 9 0A 61 6,-0.2 2,-0.4 22,-0.0 6,-0.2 -0.948 52.7-157.8-139.6 148.8 53.4 -16.6 33.8 4 39 A V E >> S-A 8 0A 0 4,-2.5 4,-1.9 -2,-0.3 3,-0.5 -0.995 75.2 -23.7-121.7 128.8 52.1 -13.4 32.3 5 40 A G T 34 S- 0 0 24 67,-0.6 64,-0.0 -2,-0.4 66,-0.0 -0.170 108.9 -47.4 59.9-162.6 53.0 -10.3 34.2 6 41 A P T 34 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.778 133.7 15.1 -65.9 -26.3 53.8 -10.4 37.9 7 42 A N T <4 S+ 0 0 20 -3,-0.5 21,-2.7 2,-0.0 2,-0.7 0.347 87.7 105.2-145.9 -1.3 50.9 -12.6 39.0 8 43 A F E < -AB 4 27A 6 -4,-1.9 -4,-2.5 19,-0.2 2,-0.3 -0.863 50.5-150.9-101.5 112.3 48.9 -14.4 36.3 9 44 A R E -AB 3 26A 107 17,-2.9 17,-2.0 -2,-0.7 2,-0.5 -0.637 19.2-131.6 -75.0 130.8 49.5 -18.2 36.0 10 45 A V E + B 0 25A 25 -8,-2.6 15,-0.2 -2,-0.3 2,-0.1 -0.775 35.0 175.0 -86.2 123.6 49.0 -19.3 32.4 11 46 A G E - 0 0 22 13,-3.2 3,-0.1 -2,-0.5 14,-0.1 -0.130 32.7 -29.3-110.5-147.7 46.7 -22.4 32.2 12 47 A K E - 0 0 135 11,-0.2 12,-3.0 1,-0.1 -1,-0.3 -0.206 62.5 -95.9 -75.8 151.7 45.1 -24.5 29.6 13 48 A K E - B 0 23A 131 10,-0.3 10,-0.3 6,-0.0 2,-0.3 -0.476 51.1-172.3 -54.9 126.9 43.8 -23.6 26.1 14 49 A I + 0 0 17 8,-2.3 8,-0.3 -2,-0.2 6,-0.2 -0.800 34.5 25.7-122.6 167.9 40.1 -22.9 26.4 15 50 A G S S- 0 0 67 -2,-0.3 2,-0.3 282,-0.2 7,-0.1 -0.016 84.6 -70.0 74.3-178.1 37.3 -22.2 23.9 16 51 A C S S+ 0 0 128 2,-0.1 2,-0.5 3,-0.0 -2,-0.0 -0.885 100.7 9.9-113.9 150.0 36.8 -23.3 20.3 17 52 A G S S+ 0 0 72 -2,-0.3 2,-2.9 1,-0.1 3,-0.3 -0.810 84.1 105.5 84.3-126.9 38.8 -22.0 17.3 18 53 A N - 0 0 70 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 -0.224 69.7-140.7 61.0 -70.0 41.7 -19.9 18.7 19 54 A F S S- 0 0 100 -2,-2.9 -1,-0.2 1,-0.2 -3,-0.0 0.744 83.2 -34.5 78.5 30.2 44.5 -22.5 18.0 20 55 A G S S+ 0 0 14 -3,-0.3 -1,-0.2 -6,-0.2 -2,-0.1 0.409 112.4 117.4 101.2 3.8 46.1 -21.6 21.4 21 56 A E S S+ 0 0 39 1,-0.1 17,-3.3 16,-0.1 2,-0.5 0.732 71.4 52.8 -74.5 -23.8 45.1 -18.0 21.2 22 57 A L E + C 0 37A 43 -8,-0.3 -8,-2.3 15,-0.2 2,-0.3 -0.964 65.5 172.7-122.1 126.7 43.0 -18.3 24.4 23 58 A R E -BC 13 36A 67 13,-2.8 13,-2.7 -2,-0.5 2,-0.3 -0.921 35.4-114.1-126.6 147.5 44.0 -19.7 27.7 24 59 A L E - C 0 35A 28 -12,-3.0 -13,-3.2 -2,-0.3 2,-0.3 -0.636 42.1-173.0 -66.0 137.6 42.6 -20.0 31.2 25 60 A G E -BC 10 34A 1 9,-2.6 9,-2.5 -2,-0.3 2,-0.4 -0.877 15.2-146.6-129.1 165.3 44.6 -17.9 33.6 26 61 A K E -BC 9 33A 41 -17,-2.0 -17,-2.9 -2,-0.3 2,-1.0 -0.986 14.3-137.8-133.7 126.0 44.7 -17.4 37.3 27 62 A N E >> -BC 8 32A 13 5,-3.6 5,-1.5 -2,-0.4 4,-1.3 -0.747 20.2-168.7 -71.0 105.3 45.5 -14.3 39.2 28 63 A L T 45S+ 0 0 89 -21,-2.7 -1,-0.2 -2,-1.0 -20,-0.1 0.750 84.0 56.3 -67.1 -27.4 47.6 -15.9 42.0 29 64 A Y T 45S+ 0 0 178 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.831 122.3 24.9 -76.0 -30.9 47.6 -12.7 44.0 30 65 A T T 45S- 0 0 63 -23,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.413 99.0-123.2-114.9 -0.7 43.8 -12.6 44.1 31 66 A N T <5 + 0 0 116 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.925 66.9 136.6 50.5 48.4 42.8 -16.3 43.6 32 67 A E E < -C 27 0A 98 -5,-1.5 -5,-3.6 0, 0.0 -1,-0.2 -0.985 54.7-126.8-127.6 136.1 40.7 -15.3 40.5 33 68 A Y E -C 26 0A 96 -2,-0.4 50,-0.6 -7,-0.3 -7,-0.3 -0.541 33.6-180.0 -76.0 145.9 40.4 -16.9 37.1 34 69 A V E -CD 25 82A 2 -9,-2.5 -9,-2.6 -2,-0.2 2,-0.4 -0.850 30.1-107.5-137.1 165.8 41.1 -14.7 34.1 35 70 A A E -CD 24 81A 8 46,-3.5 46,-2.7 -2,-0.3 2,-0.6 -0.880 27.3-159.1 -95.7 138.2 41.1 -14.9 30.3 36 71 A I E -CD 23 80A 0 -13,-2.7 -13,-2.8 -2,-0.4 2,-0.5 -0.961 2.3-164.0-121.3 109.9 44.5 -14.8 28.6 37 72 A K E -CD 22 79A 52 42,-3.1 42,-2.6 -2,-0.6 2,-0.4 -0.836 12.0-162.6 -89.5 129.6 44.5 -13.8 25.0 38 73 A L E - D 0 78A 14 -17,-3.3 40,-0.2 -2,-0.5 -2,-0.0 -0.922 13.7-178.4-119.9 138.9 47.8 -14.7 23.3 39 74 A E E - D 0 77A 24 38,-2.5 38,-2.9 -2,-0.4 4,-0.1 -0.977 34.8-114.2-135.6 122.4 49.2 -13.3 20.1 40 75 A P E > - D 0 76A 60 0, 0.0 3,-2.0 0, 0.0 36,-0.3 -0.325 17.6-135.1 -56.1 129.7 52.5 -14.5 18.7 41 76 A M T 3 S+ 0 0 87 34,-2.9 35,-0.1 1,-0.3 34,-0.0 0.845 107.3 62.6 -50.3 -36.3 55.1 -11.6 18.7 42 77 A K T 3 S+ 0 0 202 33,-0.5 -1,-0.3 3,-0.0 34,-0.1 0.333 76.5 141.7 -69.7 5.8 55.9 -12.9 15.2 43 78 A S < - 0 0 39 -3,-2.0 -4,-0.0 1,-0.2 0, 0.0 -0.269 46.6-153.8 -58.5 131.0 52.3 -12.1 14.0 44 79 A R S S+ 0 0 132 1,-0.3 -1,-0.2 2,-0.0 -3,-0.0 0.684 96.0 36.4 -74.6 -19.4 52.2 -10.7 10.5 45 80 A A S S- 0 0 71 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.649 83.2-166.5-132.7 76.3 48.9 -8.9 11.4 46 81 A P + 0 0 83 0, 0.0 -5,-0.0 0, 0.0 -7,-0.0 -0.444 24.2 152.9 -71.4 133.7 49.2 -7.8 15.1 47 82 A Q > + 0 0 82 -2,-0.2 4,-2.6 3,-0.1 5,-0.2 0.498 51.5 82.4-127.0 -23.5 45.9 -6.8 16.6 48 83 A L H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 93.3 46.1 -66.9 -44.3 46.3 -7.4 20.4 49 84 A H H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 114.4 48.3 -64.4 -43.2 48.1 -4.2 21.3 50 85 A L H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.909 111.4 51.9 -62.9 -36.5 45.6 -2.1 19.3 51 86 A E H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.939 108.3 50.5 -61.5 -48.6 42.8 -4.0 21.0 52 87 A Y H X S+ 0 0 54 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.889 109.5 51.4 -51.9 -44.0 44.3 -3.3 24.4 53 88 A R H X S+ 0 0 45 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.872 107.5 52.0 -67.2 -35.8 44.5 0.4 23.4 54 89 A F H X S+ 0 0 29 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.899 108.5 52.2 -64.5 -37.8 40.8 0.4 22.4 55 90 A Y H X S+ 0 0 10 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.870 107.5 51.2 -65.2 -38.1 40.0 -1.1 25.8 56 91 A K H < S+ 0 0 126 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.872 111.0 48.7 -64.3 -40.5 41.9 1.7 27.6 57 92 A Q H < S+ 0 0 63 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 110.6 51.0 -67.1 -39.2 39.9 4.2 25.6 58 93 A L H < S- 0 0 0 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.861 93.7-174.6 -61.9 -38.0 36.7 2.4 26.5 59 94 A G < - 0 0 33 -4,-1.9 2,-0.4 -5,-0.1 -1,-0.1 -0.154 45.2 -18.9 66.1-165.7 37.5 2.5 30.1 60 95 A S S S+ 0 0 123 -4,-0.1 2,-0.3 6,-0.0 6,-0.1 -0.595 82.3 157.0 -78.6 126.9 35.5 0.8 32.8 61 96 A G > - 0 0 19 3,-0.4 3,-1.8 -2,-0.4 2,-0.1 -0.989 48.6 -86.1-154.3 152.1 32.0 0.1 31.5 62 97 A D T 3 S+ 0 0 112 -2,-0.3 55,-0.1 1,-0.3 84,-0.0 -0.394 115.8 5.5 -56.1 125.6 28.9 -2.0 31.9 63 98 A G T 3 S+ 0 0 4 1,-0.2 85,-2.8 84,-0.1 -1,-0.3 0.702 101.6 118.1 70.4 17.0 29.3 -5.2 29.9 64 99 A I < - 0 0 11 -3,-1.8 -3,-0.4 83,-0.2 -1,-0.2 -0.987 69.5-120.4-112.6 122.4 32.9 -4.3 29.0 65 100 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 19,-0.0 -0.351 27.5-111.7 -63.3 142.6 35.3 -6.9 30.3 66 101 A Q - 0 0 110 17,-0.1 16,-3.0 -6,-0.1 2,-0.5 -0.483 26.2-145.6 -69.2 139.1 37.9 -5.6 32.7 67 102 A V E +E 81 0A 33 14,-0.3 14,-0.3 -2,-0.2 3,-0.1 -0.962 19.6 177.4-111.2 129.2 41.4 -5.7 31.3 68 103 A Y E - 0 0 72 12,-2.6 2,-0.3 -2,-0.5 13,-0.2 0.715 58.0 -0.7-102.8 -30.2 44.1 -6.5 33.9 69 104 A Y E -E 80 0A 62 11,-1.7 11,-2.5 -64,-0.0 2,-0.4 -0.988 40.7-165.0-165.1 144.4 47.3 -6.6 31.9 70 105 A F E +E 79 0A 38 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.978 44.2 103.9-131.5 130.4 49.0 -6.4 28.6 71 106 A G E -E 78 0A 5 7,-2.4 7,-2.7 -2,-0.4 2,-0.2 -0.993 64.2 -52.3 177.0-179.3 52.5 -7.6 28.2 72 107 A P E -E 77 0A 78 0, 0.0 -67,-0.6 0, 0.0 2,-0.3 -0.456 32.7-178.9 -81.4 146.9 54.9 -10.2 26.9 73 108 A C E > -E 76 0A 5 3,-3.6 3,-1.5 1,-0.2 2,-0.1 -0.828 65.2 -60.4-140.6 98.1 54.6 -13.9 27.7 74 109 A G T 3 S- 0 0 41 -2,-0.3 -1,-0.2 1,-0.2 -72,-0.0 -0.433 120.8 -15.1 58.3-129.4 57.4 -15.9 26.1 75 110 A K T 3 S+ 0 0 177 -2,-0.1 -34,-2.9 -3,-0.1 -33,-0.5 0.107 129.0 80.3 -90.4 22.6 57.2 -15.4 22.3 76 111 A Y E < S-DE 40 73A 102 -3,-1.5 -3,-3.6 -36,-0.3 2,-0.4 -0.889 73.9-132.2-123.0 150.4 53.6 -14.0 22.7 77 112 A N E -DE 39 72A 43 -38,-2.9 -38,-2.5 -2,-0.3 2,-0.4 -0.838 35.3-158.2 -90.1 141.6 52.0 -10.8 23.6 78 113 A A E -DE 38 71A 0 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.937 18.3-162.4-128.5 141.0 49.3 -11.5 26.2 79 114 A M E -DE 37 70A 0 -42,-2.6 -42,-3.1 -2,-0.4 2,-0.5 -0.985 11.3-156.9-124.4 125.5 46.3 -9.6 27.3 80 115 A V E +DE 36 69A 0 -11,-2.5 -12,-2.6 -2,-0.4 -11,-1.7 -0.851 26.5 160.2-104.8 123.3 44.8 -10.7 30.5 81 116 A L E -DE 35 67A 11 -46,-2.7 -46,-3.5 -2,-0.5 -14,-0.3 -0.886 45.7 -62.6-139.6 168.6 41.1 -9.8 30.8 82 117 A E E -D 34 0A 36 -16,-3.0 2,-0.5 -2,-0.3 -48,-0.2 -0.298 50.4-120.8 -57.7 131.3 38.1 -10.7 32.8 83 118 A L - 0 0 13 -50,-0.6 54,-0.3 -58,-0.1 2,-0.2 -0.709 38.8-173.4 -75.0 124.2 36.9 -14.3 32.4 84 119 A L - 0 0 10 -2,-0.5 52,-0.3 1,-0.2 3,-0.1 -0.512 20.4-106.4-112.4 175.4 33.4 -14.2 31.0 85 120 A G - 0 0 9 50,-3.3 -1,-0.2 1,-0.3 52,-0.2 -0.026 60.8 -40.3 -86.5-163.6 30.8 -16.9 30.3 86 121 A P - 0 0 11 0, 0.0 49,-2.5 0, 0.0 -1,-0.3 -0.209 60.9-110.9 -62.3 153.9 29.6 -18.4 27.1 87 122 A S B > -F 134 0B 9 47,-0.3 4,-2.3 -3,-0.1 47,-0.3 -0.340 28.1-108.2 -77.0 159.3 29.0 -16.4 24.0 88 123 A L H > S+ 0 0 0 45,-2.4 4,-2.7 42,-1.3 43,-0.2 0.794 123.1 56.1 -58.4 -31.0 25.5 -15.8 22.5 89 124 A E H > S+ 0 0 20 41,-0.7 4,-2.4 44,-0.3 -1,-0.2 0.934 108.1 46.1 -65.8 -45.8 26.5 -18.2 19.7 90 125 A D H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.889 117.4 45.2 -56.7 -45.0 27.3 -20.9 22.3 91 126 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.864 107.8 56.5 -74.9 -37.3 24.1 -20.2 24.0 92 127 A F H <>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 6,-0.5 0.932 109.8 46.7 -54.0 -48.6 22.2 -20.0 20.7 93 128 A D H ><5S+ 0 0 76 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.890 108.6 54.9 -60.1 -45.7 23.4 -23.6 19.9 94 129 A L H 3<5S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 109.0 49.3 -54.9 -31.1 22.4 -24.7 23.5 95 130 A C T ><5S- 0 0 11 -4,-1.4 3,-0.9 -3,-0.4 -1,-0.3 -0.003 125.7-101.1-103.0 28.4 18.9 -23.3 22.7 96 131 A D T < 5 - 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