==== 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 4HGS . 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) . 14977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 62.6 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 . 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 . 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.8 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 1 1 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 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-110.3 64.0 -23.4 35.4 2 34 A S - 0 0 98 2,-0.1 3,-0.1 1,-0.0 0, 0.0 0.834 360.0-144.6 -81.2 -32.5 60.4 -23.5 36.8 3 35 A G + 0 0 82 1,-0.3 2,-0.5 0, 0.0 -1,-0.0 0.603 58.9 121.9 79.0 8.6 58.9 -24.2 33.4 4 36 A V - 0 0 74 8,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.913 60.4-130.6-111.9 133.9 55.9 -22.0 34.3 5 37 A L - 0 0 61 -2,-0.5 8,-2.7 8,-0.3 2,-0.4 -0.632 25.3-174.3 -81.6 128.4 54.7 -19.0 32.4 6 38 A M E -A 12 0A 64 -2,-0.4 2,-0.5 6,-0.2 6,-0.2 -0.916 14.6-153.7-121.2 145.8 54.1 -15.9 34.3 7 39 A V E > -A 11 0A 0 4,-2.8 4,-1.9 -2,-0.4 3,-0.4 -0.991 68.6 -30.6-119.2 123.7 52.6 -12.6 33.0 8 40 A G T 4 S- 0 0 30 67,-0.6 64,-0.0 -2,-0.5 66,-0.0 -0.281 109.1 -45.3 66.8-153.9 53.7 -9.6 35.0 9 41 A P T 4 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.785 135.0 18.1 -83.5 -28.9 54.4 -10.1 38.8 10 42 A N T 4 S+ 0 0 20 -3,-0.4 21,-2.8 1,-0.1 2,-0.9 0.444 89.3 105.2-127.8 0.1 51.4 -12.2 39.7 11 43 A F E < -AB 7 30A 6 -4,-1.9 -4,-2.8 19,-0.2 2,-0.3 -0.752 47.0-160.9 -97.5 105.7 49.7 -13.9 36.8 12 44 A R E -AB 6 29A 104 17,-2.2 17,-2.1 -2,-0.9 2,-0.5 -0.618 22.3-129.6 -77.7 133.0 50.2 -17.6 36.3 13 45 A V E - B 0 28A 21 -8,-2.7 -8,-0.3 -2,-0.3 15,-0.2 -0.773 32.1-172.0 -89.5 125.1 49.4 -18.6 32.7 14 46 A G E - 0 0 27 13,-3.0 14,-0.1 -2,-0.5 3,-0.1 -0.137 33.0 -43.5-105.3-162.9 47.0 -21.6 32.4 15 47 A K E - 0 0 116 11,-0.2 12,-3.2 1,-0.1 2,-0.4 -0.170 65.6-103.9 -57.8 152.9 45.5 -23.9 29.9 16 48 A K E - B 0 26A 96 10,-0.3 10,-0.3 -3,-0.1 2,-0.2 -0.682 45.5-165.3 -84.2 139.7 44.3 -22.4 26.7 17 49 A I + 0 0 16 8,-1.7 8,-0.3 -2,-0.4 6,-0.2 -0.604 37.2 36.5-118.1 175.3 40.5 -22.1 26.7 18 50 A G S S- 0 0 67 -2,-0.2 2,-0.3 282,-0.2 7,-0.1 -0.004 83.6 -74.1 72.4 176.5 37.7 -21.4 24.2 19 51 A C S S+ 0 0 130 2,-0.1 2,-0.6 3,-0.0 -2,-0.1 -0.762 99.5 14.0-109.0 156.3 37.5 -22.6 20.6 20 52 A G S S+ 0 0 71 -2,-0.3 2,-1.1 1,-0.1 3,-0.2 -0.747 84.4 101.6 83.9-119.9 39.4 -21.2 17.7 21 53 A N S S- 0 0 58 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 -0.160 71.7-141.0 45.4 -85.5 42.3 -19.0 19.1 22 54 A F S S- 0 0 194 -2,-1.1 -1,-0.2 3,-0.1 -3,-0.0 0.694 80.5 -32.5 97.9 33.7 45.0 -21.7 18.5 23 55 A G S S+ 0 0 5 -3,-0.2 -2,-0.1 -6,-0.2 -1,-0.0 0.324 113.6 111.1 107.2 -6.2 46.7 -20.8 21.8 24 56 A E S S+ 0 0 86 1,-0.1 17,-3.2 16,-0.1 2,-0.5 0.701 72.0 53.3 -77.2 -19.3 45.8 -17.1 21.9 25 57 A L E + C 0 40A 50 -8,-0.3 -8,-1.7 15,-0.2 2,-0.3 -0.965 68.4 173.2-122.4 124.9 43.4 -17.2 24.8 26 58 A R E -BC 16 39A 38 13,-2.6 13,-2.8 -2,-0.5 -10,-0.3 -0.929 34.1-116.0-128.8 150.5 44.4 -18.8 28.1 27 59 A L E - C 0 38A 14 -12,-3.2 -13,-3.0 -2,-0.3 2,-0.3 -0.555 41.8-174.9 -77.4 147.5 42.9 -19.2 31.5 28 60 A G E -BC 13 37A 2 9,-2.6 9,-2.7 -15,-0.2 2,-0.4 -0.933 18.5-142.1-141.0 166.2 45.0 -17.4 34.1 29 61 A K E -BC 12 36A 37 -17,-2.1 -17,-2.2 -2,-0.3 2,-1.0 -0.997 13.4-138.5-134.9 133.7 45.2 -17.0 37.8 30 62 A N E >> -BC 11 35A 16 5,-3.8 4,-2.3 -2,-0.4 5,-1.2 -0.819 19.1-165.1 -87.9 104.9 46.1 -13.9 39.9 31 63 A L T 45S+ 0 0 78 -21,-2.8 -1,-0.2 -2,-1.0 -20,-0.1 0.777 84.0 56.1 -63.1 -27.6 48.3 -15.6 42.5 32 64 A Y T 45S+ 0 0 178 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.812 121.9 25.0 -75.6 -30.3 48.1 -12.5 44.8 33 65 A T T 45S- 0 0 68 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.532 98.6-125.8-110.4 -12.4 44.3 -12.4 44.9 34 66 A N T <5 + 0 0 115 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.910 65.9 133.8 65.7 41.5 43.5 -16.1 44.2 35 67 A E E < -C 30 0A 102 -5,-1.2 -5,-3.8 0, 0.0 -1,-0.3 -0.925 54.7-123.2-123.0 147.9 41.2 -15.0 41.3 36 68 A Y E +C 29 0A 74 -2,-0.3 50,-0.6 -7,-0.2 2,-0.3 -0.607 32.3 177.6 -89.0 152.6 41.0 -16.4 37.8 37 69 A V E -CD 28 85A 2 -9,-2.7 -9,-2.6 -2,-0.2 2,-0.4 -0.892 30.4-108.7-143.9 171.6 41.4 -14.2 34.8 38 70 A A E -CD 27 84A 9 46,-3.2 46,-2.8 -2,-0.3 2,-0.5 -0.878 27.8-158.0-106.2 138.4 41.5 -14.4 31.0 39 71 A I E -CD 26 83A 0 -13,-2.8 -13,-2.6 -2,-0.4 2,-0.5 -0.957 1.4-159.5-124.0 116.7 44.9 -13.9 29.3 40 72 A K E -CD 25 82A 43 42,-3.0 42,-2.5 -2,-0.5 2,-0.4 -0.805 15.1-161.7 -93.3 126.3 45.0 -12.9 25.6 41 73 A L E - D 0 81A 3 -17,-3.2 40,-0.2 -2,-0.5 -2,-0.0 -0.883 13.9-176.7-114.9 143.4 48.3 -13.7 23.9 42 74 A E E - D 0 80A 22 38,-2.3 38,-2.9 -2,-0.4 4,-0.1 -0.978 32.9-116.7-136.3 121.1 49.9 -12.3 20.8 43 75 A P E > - D 0 79A 48 0, 0.0 3,-2.7 0, 0.0 36,-0.3 -0.331 17.5-135.4 -57.1 131.4 53.2 -13.6 19.4 44 76 A M T 3 S+ 0 0 95 34,-2.7 35,-0.1 1,-0.3 34,-0.0 0.697 107.4 65.3 -60.0 -14.6 55.8 -10.8 19.4 45 77 A K T 3 S+ 0 0 174 33,-0.4 -1,-0.3 4,-0.0 34,-0.1 0.300 77.9 143.1 -89.3 6.4 56.5 -12.1 15.9 46 78 A S < - 0 0 33 -3,-2.7 -4,-0.0 1,-0.1 -2,-0.0 -0.139 45.7-154.7 -57.3 143.7 53.1 -11.1 14.7 47 79 A R S S+ 0 0 212 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.817 93.8 32.8 -82.2 -38.8 52.6 -9.7 11.2 48 80 A A S S- 0 0 65 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.769 83.5-160.9-123.3 83.6 49.5 -7.8 12.2 49 81 A P + 0 0 86 0, 0.0 -5,-0.0 0, 0.0 -7,-0.0 -0.283 29.8 147.5 -63.9 149.4 49.7 -6.6 15.8 50 82 A Q > + 0 0 78 106,-0.0 4,-1.8 3,-0.0 3,-0.3 0.364 50.0 84.5-148.7 -33.5 46.5 -5.7 17.5 51 83 A L H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.874 88.3 49.6 -46.5 -57.7 47.0 -6.5 21.2 52 84 A H H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.887 116.7 39.2 -56.8 -44.5 48.7 -3.5 22.4 53 85 A L H > S+ 0 0 81 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.705 110.8 58.6 -83.3 -11.3 46.4 -0.9 20.9 54 86 A E H X S+ 0 0 0 -4,-1.8 4,-2.9 -3,-0.3 -2,-0.2 0.908 106.2 51.1 -73.6 -40.6 43.3 -3.0 21.8 55 87 A Y H X S+ 0 0 57 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.933 108.4 50.4 -56.9 -46.6 44.7 -2.7 25.3 56 88 A R H X S+ 0 0 104 -4,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.888 109.5 50.8 -60.1 -40.7 44.8 1.0 24.7 57 89 A F H X S+ 0 0 26 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.896 107.7 53.1 -62.3 -37.0 41.2 0.8 23.5 58 90 A Y H X S+ 0 0 12 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.914 111.3 46.7 -67.6 -34.0 40.3 -1.1 26.7 59 91 A K H >< S+ 0 0 107 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.940 110.9 51.1 -69.5 -46.7 41.9 1.8 28.6 60 92 A Q H 3< S+ 0 0 57 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.809 105.8 54.5 -58.5 -34.5 40.1 4.4 26.6 61 93 A L H 3< S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.746 98.5-172.1 -72.9 -19.9 36.8 2.6 27.2 62 94 A G << - 0 0 34 -4,-0.7 2,-0.4 -3,-0.7 -1,-0.1 -0.046 46.2 -24.0 58.3-166.6 37.9 3.0 30.9 63 95 A S S S+ 0 0 120 -4,-0.1 2,-0.3 -3,-0.1 6,-0.1 -0.652 86.4 157.8 -76.7 125.0 35.8 1.2 33.6 64 96 A G > - 0 0 18 -2,-0.4 3,-2.2 3,-0.4 2,-0.2 -0.993 48.4 -84.7-152.1 158.0 32.4 0.7 32.2 65 97 A D T 3 S+ 0 0 115 -2,-0.3 55,-0.1 1,-0.3 -2,-0.0 -0.403 116.5 5.4 -62.6 123.6 29.2 -1.3 32.4 66 98 A G T 3 S+ 0 0 4 1,-0.2 85,-2.1 -2,-0.2 -1,-0.3 0.589 102.2 120.1 78.1 7.2 29.6 -4.5 30.4 67 99 A I < - 0 0 12 -3,-2.2 -3,-0.4 83,-0.2 -1,-0.2 -0.922 68.0-120.8-106.6 120.8 33.2 -3.7 29.6 68 100 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 19,-0.0 -0.327 29.5-113.5 -61.2 140.2 35.6 -6.3 30.9 69 101 A Q - 0 0 107 17,-0.1 16,-3.1 -6,-0.1 2,-0.5 -0.502 25.2-144.0 -73.8 138.1 38.2 -5.0 33.3 70 102 A V E +E 84 0A 37 14,-0.2 14,-0.3 -2,-0.2 3,-0.1 -0.921 22.1 173.3-107.6 129.1 41.8 -5.0 32.1 71 103 A Y E + 0 0 82 12,-2.9 2,-0.3 -2,-0.5 13,-0.2 0.756 56.8 4.5-106.3 -30.1 44.6 -5.7 34.6 72 104 A Y E -E 83 0A 83 11,-1.8 11,-3.1 2,-0.0 2,-0.4 -0.991 39.0-167.2-162.0 149.1 47.8 -6.0 32.7 73 105 A F E +E 82 0A 51 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.960 41.6 120.0-137.1 116.0 49.7 -5.7 29.5 74 106 A G E -E 81 0A 4 7,-2.7 7,-3.4 -2,-0.4 2,-0.1 -0.996 59.6 -68.6-167.2 171.3 53.1 -7.1 29.2 75 107 A P E -E 80 0A 87 0, 0.0 -67,-0.6 0, 0.0 2,-0.3 -0.411 36.4-178.4 -71.7 143.0 55.7 -9.5 27.7 76 108 A C E > -E 79 0A 2 3,-3.6 3,-2.2 1,-0.2 -69,-0.1 -0.839 61.3 -59.3-144.0 97.6 55.3 -13.3 28.4 77 109 A G T 3 S- 0 0 58 -2,-0.3 -1,-0.2 1,-0.3 -72,-0.0 -0.448 121.5 -18.6 61.0-131.4 58.0 -15.4 26.8 78 110 A K T 3 S+ 0 0 179 -3,-0.1 -34,-2.7 -2,-0.1 -33,-0.4 0.075 128.4 80.0 -94.5 24.2 57.7 -14.7 23.1 79 111 A Y E < S-DE 43 76A 74 -3,-2.2 -3,-3.6 -36,-0.3 2,-0.4 -0.894 73.6-131.0-124.5 159.8 54.2 -13.3 23.4 80 112 A N E -DE 42 75A 44 -38,-2.9 -38,-2.3 -2,-0.3 2,-0.4 -0.880 36.6-155.3-101.2 137.7 52.8 -10.0 24.4 81 113 A A E -DE 41 74A 0 -7,-3.4 -7,-2.7 -2,-0.4 2,-0.5 -0.939 19.4-162.5-125.1 145.4 50.0 -10.6 26.9 82 114 A M E -DE 40 73A 0 -42,-2.5 -42,-3.0 -2,-0.4 2,-0.5 -0.983 12.8-156.9-123.8 118.3 46.9 -8.8 28.1 83 115 A V E +DE 39 72A 0 -11,-3.1 -12,-2.9 -2,-0.5 -11,-1.8 -0.830 24.9 158.7 -97.3 126.8 45.3 -9.9 31.3 84 116 A L E -DE 38 70A 15 -46,-2.8 -46,-3.2 -2,-0.5 -14,-0.2 -0.902 46.0 -63.4-141.6 171.1 41.7 -9.1 31.8 85 117 A E E -D 37 0A 38 -16,-3.1 2,-0.3 -2,-0.3 -48,-0.2 -0.272 51.7-121.5 -56.1 132.5 38.6 -10.1 33.7 86 118 A L - 0 0 10 -50,-0.6 54,-0.2 -58,-0.1 2,-0.2 -0.647 36.4-176.7 -78.2 133.1 37.4 -13.7 33.1 87 119 A L - 0 0 13 -2,-0.3 52,-0.2 1,-0.2 3,-0.1 -0.461 22.1-103.2-115.5-170.6 33.8 -13.8 31.7 88 120 A G - 0 0 13 50,-3.2 -1,-0.2 1,-0.3 52,-0.1 -0.102 58.1 -42.0-100.8-157.4 31.4 -16.6 30.8 89 121 A P - 0 0 12 0, 0.0 49,-2.1 0, 0.0 -1,-0.3 -0.170 61.2-108.4 -66.9 161.7 30.3 -18.1 27.5 90 122 A S B > -F 137 0B 8 47,-0.2 4,-2.5 1,-0.1 47,-0.2 -0.342 27.7-105.7 -85.8 170.2 29.4 -16.1 24.4 91 123 A L H > S+ 0 0 0 45,-2.1 4,-2.6 42,-1.3 43,-0.2 0.832 123.2 56.1 -63.9 -29.5 26.0 -15.5 22.9 92 124 A E H > S+ 0 0 22 41,-0.8 4,-2.1 44,-0.2 -1,-0.2 0.910 107.4 47.0 -69.0 -40.9 27.0 -17.9 20.2 93 125 A D H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 115.7 46.1 -64.0 -45.4 27.7 -20.6 22.7 94 126 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.878 108.1 56.6 -65.1 -38.3 24.5 -19.9 24.5 95 127 A F H <>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 6,-0.5 0.934 109.2 45.7 -58.6 -49.0 22.6 -19.9 21.1 96 128 A D H ><5S+ 0 0 80 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.928 110.0 54.6 -59.3 -46.8 23.8 -23.4 20.3 97 129 A L H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.833 109.0 49.5 -56.6 -32.3 22.9 -24.5 23.9 98 130 A C T 3<5S- 0 0 9 -4,-1.8 3,-0.4 -3,-0.2 -1,-0.3 0.000 126.4 -99.8 -98.0 27.8 19.4 -23.1 23.2 99 131 A D T < 5 - 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