==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 08-OCT-12 4HGL . COMPND 2 MOLECULE: CASEIN KINASE I ISOFORM GAMMA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 61.9 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 . 42 13.9 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 . 1 0.3 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 . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.1 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 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 33 A G 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -99.6 64.5 -23.5 35.4 2 34 A S - 0 0 108 2,-0.1 3,-0.1 1,-0.0 0, 0.0 0.898 360.0-146.7 -81.8 -41.0 60.9 -23.4 36.6 3 35 A G + 0 0 85 1,-0.3 2,-0.5 0, 0.0 -1,-0.0 0.558 58.5 120.6 84.0 8.0 59.2 -24.3 33.3 4 36 A V - 0 0 78 8,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.918 59.7-133.6-114.5 136.0 56.3 -22.1 34.2 5 37 A L - 0 0 60 -2,-0.5 8,-2.4 8,-0.3 2,-0.3 -0.650 23.9-177.0 -85.5 132.5 55.1 -19.1 32.4 6 38 A M E -A 12 0A 64 -2,-0.4 2,-0.5 6,-0.2 6,-0.2 -0.909 15.7-151.9-127.0 152.0 54.3 -16.0 34.3 7 39 A V E > -A 11 0A 0 4,-2.4 4,-1.7 -2,-0.3 3,-0.4 -0.996 68.7 -28.8-126.1 121.6 52.9 -12.8 33.0 8 40 A G T 4 S- 0 0 32 67,-0.6 64,-0.0 -2,-0.5 66,-0.0 -0.316 108.8 -46.3 69.7-154.9 54.0 -9.8 34.9 9 41 A P T 4 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.785 134.3 18.5 -84.6 -28.6 54.7 -10.2 38.6 10 42 A N T 4 S+ 0 0 22 -3,-0.4 21,-2.9 21,-0.0 2,-0.8 0.472 90.0 105.0-126.2 -1.7 51.7 -12.3 39.7 11 43 A F E < -AB 7 30A 6 -4,-1.7 -4,-2.4 19,-0.2 2,-0.3 -0.737 47.3-160.2 -95.7 110.5 50.0 -14.0 36.8 12 44 A R E -AB 6 29A 104 17,-2.5 17,-2.1 -2,-0.8 2,-0.5 -0.659 21.7-130.2 -81.0 135.0 50.5 -17.7 36.3 13 45 A V E - B 0 28A 22 -8,-2.4 -8,-0.3 -2,-0.3 15,-0.2 -0.789 32.6-175.1 -90.3 123.7 49.7 -18.7 32.7 14 46 A G E - 0 0 28 13,-3.0 3,-0.1 -2,-0.5 14,-0.1 -0.088 30.0 -36.3-104.0-158.9 47.4 -21.7 32.4 15 47 A K E - 0 0 117 11,-0.2 12,-3.2 1,-0.1 2,-0.3 -0.082 64.7 -94.7 -61.0 161.2 45.8 -24.1 30.0 16 48 A K E - B 0 26A 125 10,-0.2 10,-0.3 1,-0.0 2,-0.3 -0.601 51.3-168.5 -77.3 130.1 44.6 -23.1 26.5 17 49 A I + 0 0 15 8,-2.6 8,-0.3 -2,-0.3 6,-0.2 -0.781 35.0 21.8-125.1 165.2 40.9 -22.3 26.7 18 50 A G S S- 0 0 69 -2,-0.3 2,-0.3 3,-0.1 7,-0.1 0.005 85.0 -70.1 74.8 177.6 38.0 -21.7 24.3 19 51 A C S S+ 0 0 127 2,-0.1 2,-0.6 3,-0.0 -2,-0.1 -0.798 100.1 11.2-109.9 153.6 37.7 -22.8 20.7 20 52 A G S S+ 0 0 70 -2,-0.3 2,-1.9 1,-0.1 3,-0.3 -0.764 84.1 102.8 86.1-122.8 39.6 -21.4 17.8 21 53 A N S S- 0 0 63 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 -0.153 71.6-140.3 46.3 -75.9 42.5 -19.2 19.1 22 54 A F S S- 0 0 204 -2,-1.9 -1,-0.2 3,-0.1 -3,-0.0 0.753 82.1 -31.5 89.9 31.2 45.2 -21.9 18.5 23 55 A G S S+ 0 0 6 -3,-0.3 -2,-0.1 -6,-0.2 -1,-0.1 0.304 113.5 114.3 108.5 -4.9 46.9 -21.0 21.8 24 56 A E S S+ 0 0 50 1,-0.1 17,-2.9 16,-0.1 2,-0.5 0.690 71.9 48.7 -73.1 -22.1 45.9 -17.3 21.8 25 57 A L E + C 0 40A 46 -8,-0.3 -8,-2.6 15,-0.2 2,-0.3 -0.976 67.7 172.6-126.7 126.8 43.6 -17.5 24.8 26 58 A R E -BC 16 39A 41 13,-2.5 13,-2.6 -2,-0.5 -10,-0.2 -0.915 34.1-114.2-128.7 152.6 44.6 -19.1 28.1 27 59 A L E - C 0 38A 17 -12,-3.2 -13,-3.0 -2,-0.3 2,-0.3 -0.531 41.6-175.0 -79.1 152.9 43.2 -19.4 31.6 28 60 A G E -BC 13 37A 2 9,-2.3 9,-3.1 -15,-0.2 2,-0.4 -0.962 18.3-141.2-146.1 163.9 45.3 -17.6 34.1 29 61 A K E -BC 12 36A 35 -17,-2.1 -17,-2.5 -2,-0.3 2,-1.1 -0.993 14.0-137.6-133.3 131.9 45.5 -17.1 37.9 30 62 A N E >> -BC 11 35A 14 5,-3.8 4,-2.4 -2,-0.4 5,-1.1 -0.766 19.8-164.9 -84.1 103.9 46.4 -14.0 39.8 31 63 A L T 45S+ 0 0 78 -21,-2.9 -1,-0.2 -2,-1.1 -20,-0.1 0.788 84.7 55.5 -62.4 -27.4 48.6 -15.7 42.5 32 64 A Y T 45S+ 0 0 180 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.839 122.0 25.8 -74.6 -33.2 48.5 -12.6 44.7 33 65 A T T 45S- 0 0 66 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.526 98.2-126.7-107.6 -10.5 44.7 -12.5 44.8 34 66 A N T <5 + 0 0 119 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.893 65.8 133.5 63.7 39.4 43.9 -16.2 44.2 35 67 A E E < -C 30 0A 103 -5,-1.1 -5,-3.8 0, 0.0 -1,-0.2 -0.912 55.2-123.3-120.8 148.7 41.6 -15.2 41.3 36 68 A Y E +C 29 0A 71 -2,-0.3 50,-0.6 -7,-0.3 2,-0.3 -0.587 32.2 178.9 -88.2 152.2 41.3 -16.6 37.8 37 69 A V E -CD 28 85A 2 -9,-3.1 -9,-2.3 -2,-0.2 2,-0.4 -0.911 29.9-109.8-144.5 170.2 41.7 -14.4 34.8 38 70 A A E -CD 27 84A 8 46,-3.1 46,-2.7 -2,-0.3 2,-0.5 -0.856 28.2-158.0-104.0 139.9 41.8 -14.6 31.0 39 71 A I E -CD 26 83A 0 -13,-2.6 -13,-2.5 -2,-0.4 2,-0.5 -0.966 1.8-159.6-125.1 118.7 45.1 -14.1 29.2 40 72 A K E -CD 25 82A 29 42,-3.0 42,-2.6 -2,-0.5 2,-0.4 -0.831 14.9-163.2 -95.8 128.2 45.2 -13.1 25.6 41 73 A L E - D 0 81A 4 -17,-2.9 40,-0.2 -2,-0.5 38,-0.0 -0.900 13.3-176.5-116.6 145.1 48.5 -13.9 23.9 42 74 A E E - D 0 80A 25 38,-2.3 38,-2.8 -2,-0.4 4,-0.1 -0.965 33.3-115.6-139.0 118.6 50.1 -12.6 20.7 43 75 A P E > - D 0 79A 61 0, 0.0 3,-2.2 0, 0.0 36,-0.3 -0.261 17.6-134.8 -53.3 135.5 53.4 -13.8 19.3 44 76 A M T 3 S+ 0 0 99 34,-2.7 35,-0.1 1,-0.3 33,-0.0 0.685 107.6 64.8 -63.0 -16.0 55.9 -11.0 19.3 45 77 A K T 3 S+ 0 0 190 33,-0.4 -1,-0.3 2,-0.0 34,-0.1 0.303 77.0 141.4 -88.0 2.7 56.6 -12.3 15.8 46 78 A S < - 0 0 38 -3,-2.2 -4,-0.0 1,-0.1 -2,-0.0 -0.224 46.6-153.6 -59.7 137.8 53.1 -11.3 14.6 47 79 A R S S+ 0 0 244 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.750 94.8 34.0 -75.7 -32.0 52.8 -9.9 11.1 48 80 A A S S- 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.746 83.4-161.9-130.3 81.7 49.6 -8.0 12.1 49 81 A P + 0 0 86 0, 0.0 -5,-0.0 0, 0.0 -7,-0.0 -0.365 28.6 149.0 -64.8 142.0 49.9 -6.9 15.8 50 82 A Q > + 0 0 80 -2,-0.0 4,-1.8 3,-0.0 3,-0.3 0.441 50.5 83.5-142.5 -30.9 46.7 -5.9 17.4 51 83 A L H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.883 87.9 52.0 -49.5 -54.5 47.2 -6.7 21.1 52 84 A H H > S+ 0 0 100 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.875 116.5 36.6 -57.4 -44.7 48.9 -3.6 22.2 53 85 A L H > S+ 0 0 87 -3,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.691 109.1 61.8 -84.8 -12.1 46.6 -1.1 20.9 54 86 A E H X S+ 0 0 2 -4,-1.8 4,-1.9 -3,-0.3 -2,-0.2 0.941 106.7 50.1 -66.3 -43.4 43.6 -3.3 21.7 55 87 A Y H X S+ 0 0 65 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.918 109.1 49.9 -54.7 -46.7 45.0 -2.7 25.2 56 88 A R H X S+ 0 0 105 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.891 107.2 54.3 -61.1 -39.8 45.1 1.0 24.4 57 89 A F H X S+ 0 0 23 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.847 108.1 49.8 -63.9 -32.8 41.5 0.9 23.2 58 90 A Y H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.855 108.7 51.8 -72.1 -34.5 40.6 -0.6 26.6 59 91 A K H < S+ 0 0 145 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.952 110.9 48.9 -62.1 -48.9 42.5 2.1 28.3 60 92 A Q H < S+ 0 0 55 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.823 110.3 51.6 -59.0 -38.1 40.5 4.6 26.3 61 93 A L H < S- 0 0 1 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.914 94.5-168.7 -68.7 -44.7 37.3 2.9 27.2 62 94 A G < - 0 0 34 -4,-2.4 2,-0.4 -5,-0.1 -1,-0.1 -0.202 44.0 -25.7 81.8-177.3 38.0 2.9 30.9 63 95 A S S S+ 0 0 121 -4,-0.1 2,-0.3 6,-0.0 6,-0.1 -0.570 84.3 159.0 -69.9 126.8 36.2 1.1 33.6 64 96 A G > - 0 0 20 3,-0.5 3,-2.3 -2,-0.4 2,-0.3 -0.998 47.3 -83.8-154.8 158.2 32.7 0.5 32.3 65 97 A D T 3 S+ 0 0 112 -2,-0.3 55,-0.1 1,-0.3 -2,-0.0 -0.386 116.5 4.0 -61.1 120.3 29.4 -1.5 32.5 66 98 A G T 3 S+ 0 0 3 -2,-0.3 85,-2.1 1,-0.2 -1,-0.3 0.625 102.8 119.8 79.4 9.6 29.8 -4.7 30.4 67 99 A I < - 0 0 11 -3,-2.3 -3,-0.5 83,-0.2 -1,-0.2 -0.934 67.8-122.5-109.0 115.6 33.5 -3.9 29.7 68 100 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 19,-0.0 -0.240 29.3-113.2 -56.4 142.3 35.9 -6.5 31.0 69 101 A Q - 0 0 106 17,-0.1 16,-3.0 -6,-0.1 2,-0.5 -0.523 25.0-143.4 -74.6 140.8 38.5 -5.1 33.3 70 102 A V E +E 84 0A 39 14,-0.2 14,-0.3 -2,-0.2 3,-0.1 -0.931 21.8 174.3-108.8 130.3 42.1 -5.2 32.1 71 103 A Y E + 0 0 80 12,-2.8 2,-0.3 -2,-0.5 13,-0.2 0.749 57.6 2.7-105.8 -29.5 44.8 -5.9 34.6 72 104 A Y E -E 83 0A 84 11,-1.9 11,-2.7 2,-0.0 2,-0.4 -0.997 38.4-168.1-162.4 151.3 48.0 -6.2 32.7 73 105 A F E +E 82 0A 44 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.915 41.8 122.2-142.5 112.2 49.8 -6.0 29.4 74 106 A G E -E 81 0A 4 7,-2.6 7,-3.1 -2,-0.4 2,-0.1 -0.984 59.7 -70.0-162.3 171.9 53.4 -7.3 29.2 75 107 A P E -E 80 0A 89 0, 0.0 -67,-0.6 0, 0.0 2,-0.3 -0.421 35.7-176.5 -72.8 142.8 55.9 -9.7 27.6 76 108 A C E > -E 79 0A 2 3,-3.7 3,-1.8 1,-0.2 -69,-0.1 -0.848 61.0 -60.1-141.7 97.6 55.5 -13.4 28.3 77 109 A G T 3 S- 0 0 57 -2,-0.3 -1,-0.2 1,-0.3 -72,-0.0 -0.426 121.5 -17.8 59.6-132.9 58.2 -15.5 26.7 78 110 A K T 3 S+ 0 0 178 -3,-0.1 -34,-2.7 -2,-0.1 -33,-0.4 0.072 128.5 88.8 -93.1 29.8 58.0 -14.8 23.0 79 111 A Y E < S-DE 43 76A 74 -3,-1.8 -3,-3.7 -36,-0.3 2,-0.5 -0.898 70.8-138.4-125.1 149.9 54.5 -13.5 23.5 80 112 A N E -DE 42 75A 45 -38,-2.8 -38,-2.3 -2,-0.3 2,-0.4 -0.891 36.4-159.1-100.0 138.0 52.9 -10.1 24.3 81 113 A A E -DE 41 74A 0 -7,-3.1 -7,-2.6 -2,-0.5 2,-0.5 -0.963 20.8-164.8-127.2 143.4 50.2 -10.8 26.9 82 114 A M E -DE 40 73A 0 -42,-2.6 -42,-3.0 -2,-0.4 2,-0.5 -0.982 12.2-157.9-125.2 118.3 47.2 -9.0 28.0 83 115 A V E +DE 39 72A 0 -11,-2.7 -12,-2.8 -2,-0.5 -11,-1.9 -0.832 24.6 156.4 -97.5 129.6 45.6 -10.1 31.3 84 116 A L E -DE 38 70A 16 -46,-2.7 -46,-3.1 -2,-0.5 -14,-0.2 -0.925 46.3 -57.9-146.3 170.7 41.9 -9.3 31.8 85 117 A E E -D 37 0A 39 -16,-3.0 2,-0.4 -2,-0.3 -48,-0.2 -0.204 51.9-121.6 -52.8 130.1 38.8 -10.3 33.7 86 118 A L - 0 0 13 -50,-0.6 54,-0.2 -58,-0.1 2,-0.1 -0.626 37.7-178.1 -76.4 129.4 37.6 -13.9 33.1 87 119 A L - 0 0 19 -2,-0.4 52,-0.2 1,-0.2 3,-0.1 -0.277 20.9-104.8-111.9-162.6 34.1 -14.0 31.7 88 120 A G - 0 0 20 50,-2.7 -1,-0.2 1,-0.3 52,-0.1 -0.223 56.3 -40.5-109.7-155.0 31.6 -16.7 30.8 89 121 A P - 0 0 11 0, 0.0 49,-2.2 0, 0.0 -1,-0.3 -0.246 59.3-111.7 -70.1 158.7 30.4 -18.2 27.5 90 122 A S B > -F 137 0B 8 47,-0.2 4,-2.4 1,-0.1 47,-0.2 -0.332 27.7-105.9 -84.8 168.7 29.5 -16.2 24.4 91 123 A L H > S+ 0 0 0 45,-2.2 4,-2.2 42,-1.4 43,-0.2 0.827 123.3 55.7 -64.5 -29.3 26.1 -15.6 22.9 92 124 A E H > S+ 0 0 21 41,-0.8 4,-2.3 44,-0.2 -1,-0.2 0.911 107.4 47.4 -69.2 -41.0 27.1 -18.0 20.2 93 125 A D H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.915 115.8 46.2 -63.0 -43.5 27.9 -20.7 22.8 94 126 A L H X S+ 0 0 1 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.834 107.8 56.5 -68.8 -33.1 24.5 -20.0 24.4 95 127 A F H ><>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.7 0.970 108.7 46.4 -62.6 -53.4 22.7 -20.0 21.1 96 128 A D H ><5S+ 0 0 83 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.925 110.0 54.6 -54.4 -45.1 23.9 -23.5 20.4 97 129 A L H 3<5S+ 0 0 59 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.830 109.0 48.8 -58.6 -31.1 23.0 -24.5 23.9 98 130 A C T <<5S- 0 0 9 -4,-1.6 3,-0.4 -3,-0.7 -1,-0.3 0.002 125.9-100.4 -99.1 26.7 19.5 -23.2 23.2 99 131 A D T < 5 - 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