==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-JUL-12 4G17 . 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) . 15256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 60.9 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 . 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 . 15 5.0 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 . 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 1 1 0 1 0 1 0 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 0.000 360.0 360.0 360.0-145.2 64.3 -22.2 35.4 2 34 A S - 0 0 102 2,-0.1 3,-0.1 1,-0.1 0, 0.0 0.762 360.0-135.6 -46.4 -49.4 60.8 -22.8 36.5 3 35 A G S S+ 0 0 87 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.338 71.6 108.2 97.3 -9.0 59.0 -24.2 33.5 4 36 A V - 0 0 73 8,-0.0 2,-0.5 2,-0.0 -1,-0.3 -0.885 66.9-131.0-113.1 136.6 56.1 -21.8 34.3 5 37 A L - 0 0 63 -2,-0.4 8,-2.8 8,-0.3 2,-0.3 -0.695 26.2-171.6 -84.2 122.0 55.0 -18.8 32.3 6 38 A M E -A 12 0A 66 -2,-0.5 2,-0.5 6,-0.2 6,-0.2 -0.856 14.0-152.9-113.3 149.9 54.4 -15.7 34.4 7 39 A V E >> -A 11 0A 0 4,-3.1 4,-2.0 -2,-0.3 3,-0.5 -0.991 67.7 -32.9-121.2 121.1 52.9 -12.3 33.3 8 40 A G T 34 S- 0 0 29 67,-0.6 64,-0.0 -2,-0.5 66,-0.0 -0.290 108.9 -45.2 65.4-151.9 54.0 -9.4 35.3 9 41 A P T 34 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.717 135.5 18.0 -87.8 -17.9 54.8 -10.0 39.0 10 42 A N T <4 S+ 0 0 21 -3,-0.5 21,-2.5 1,-0.0 2,-0.7 0.417 89.2 103.8-137.3 2.9 51.7 -12.1 39.9 11 43 A F E < -AB 7 30A 9 -4,-2.0 -4,-3.1 19,-0.2 2,-0.5 -0.820 47.8-159.3-101.8 111.8 49.9 -13.6 36.9 12 44 A R E -AB 6 29A 102 17,-2.3 17,-1.9 -2,-0.7 2,-0.4 -0.737 17.3-136.3 -85.8 126.2 50.4 -17.3 36.3 13 45 A V E + B 0 28A 18 -8,-2.8 -8,-0.3 -2,-0.5 15,-0.2 -0.686 31.4 176.8 -84.7 133.5 49.6 -18.2 32.7 14 46 A G E - 0 0 30 13,-2.6 3,-0.1 -2,-0.4 14,-0.1 -0.345 34.4 -29.0-120.4-157.9 47.6 -21.4 32.3 15 47 A K E - 0 0 120 11,-0.2 12,-2.8 -2,-0.1 2,-0.3 -0.023 66.9-103.6 -52.8 155.4 45.8 -23.7 29.7 16 48 A K E - B 0 26A 108 10,-0.3 10,-0.3 -3,-0.1 2,-0.3 -0.689 42.9-160.9 -86.2 139.1 44.4 -22.1 26.6 17 49 A I + 0 0 16 8,-2.0 8,-0.2 -2,-0.3 6,-0.2 -0.758 39.8 30.0-118.7 165.6 40.7 -21.8 26.7 18 50 A G S S- 0 0 70 -2,-0.3 2,-0.3 3,-0.1 7,-0.1 -0.144 85.3 -63.3 82.4 179.0 37.9 -21.3 24.2 19 51 A C S S- 0 0 127 2,-0.0 2,-0.5 3,-0.0 -2,-0.1 -0.822 96.2 -3.4-109.2 153.8 37.6 -22.4 20.6 20 52 A G S S+ 0 0 70 -2,-0.3 3,-0.3 1,-0.1 2,-0.1 -0.704 86.0 103.2 68.0-117.5 39.7 -21.5 17.5 21 53 A N S S- 0 0 86 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 -0.281 79.4-127.9 49.4-100.9 42.5 -18.7 18.6 22 54 A F S S- 0 0 188 3,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 0.389 72.9 -34.5 132.2 36.1 45.3 -21.2 18.6 23 55 A G S S+ 0 0 4 -3,-0.3 -2,-0.1 -6,-0.2 3,-0.1 0.610 109.2 113.9 99.1 15.0 46.7 -20.5 22.1 24 56 A E S S+ 0 0 74 1,-0.2 17,-3.2 -7,-0.1 2,-0.5 0.629 70.9 52.6 -93.5 -14.6 46.0 -16.8 22.0 25 57 A L E S+ C 0 40A 55 15,-0.2 -8,-2.0 -8,-0.2 2,-0.3 -0.980 72.3 174.3-125.0 118.3 43.5 -16.9 24.9 26 58 A R E -BC 16 39A 39 13,-2.8 13,-3.2 -2,-0.5 -10,-0.3 -0.946 33.1-117.4-128.4 149.8 44.5 -18.5 28.1 27 59 A L E + C 0 38A 17 -12,-2.8 -13,-2.6 -2,-0.3 2,-0.3 -0.549 41.9 179.8 -76.6 146.5 43.1 -19.0 31.6 28 60 A G E -BC 13 37A 3 9,-2.5 9,-2.2 -15,-0.2 2,-0.4 -0.886 20.6-138.1-142.3 173.7 45.2 -17.4 34.2 29 61 A K E -BC 12 36A 39 -17,-1.9 -17,-2.3 -2,-0.3 2,-1.1 -0.999 13.6-136.5-141.2 135.3 45.4 -16.8 37.9 30 62 A N E >> -BC 11 35A 14 5,-3.8 4,-2.5 -2,-0.4 5,-1.1 -0.809 19.8-165.6 -89.5 101.7 46.3 -13.8 40.1 31 63 A L T 45S+ 0 0 80 -21,-2.5 -1,-0.2 -2,-1.1 -20,-0.1 0.776 83.1 56.0 -59.0 -30.3 48.5 -15.5 42.7 32 64 A Y T 45S+ 0 0 175 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.853 122.1 23.7 -73.2 -37.1 48.3 -12.4 45.0 33 65 A T T 45S- 0 0 71 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.550 100.5-123.9-104.8 -13.9 44.5 -12.3 45.2 34 66 A N T <5 + 0 0 116 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.888 64.9 135.6 71.1 39.6 43.7 -15.9 44.4 35 67 A E E < -C 30 0A 98 -5,-1.1 -5,-3.8 0, 0.0 -1,-0.3 -0.915 54.2-122.3-120.4 148.1 41.4 -15.0 41.5 36 68 A Y E +C 29 0A 84 -2,-0.3 50,-0.6 -7,-0.2 -7,-0.3 -0.582 33.8 177.2 -86.0 149.6 41.1 -16.4 38.0 37 69 A V E -CD 28 85A 1 -9,-2.2 -9,-2.5 -2,-0.2 2,-0.4 -0.876 29.9-110.5-142.0 172.8 41.6 -14.1 35.0 38 70 A A E -CD 27 84A 9 46,-3.2 46,-2.7 -2,-0.3 2,-0.5 -0.895 27.4-156.5-108.8 140.3 41.7 -14.3 31.2 39 71 A I E -CD 26 83A 0 -13,-3.2 -13,-2.8 -2,-0.4 2,-0.5 -0.949 2.8-158.8-125.4 116.1 45.0 -13.7 29.4 40 72 A K E -CD 25 82A 24 42,-2.9 42,-2.4 -2,-0.5 2,-0.4 -0.809 16.2-164.6 -92.0 126.6 45.2 -12.6 25.8 41 73 A L E - D 0 81A 1 -17,-3.2 40,-0.2 -2,-0.5 -2,-0.0 -0.913 14.0-177.5-117.4 140.0 48.5 -13.4 24.2 42 74 A E E - D 0 80A 14 38,-2.4 38,-2.1 -2,-0.4 4,-0.0 -0.976 33.7-116.2-135.7 119.3 50.1 -12.2 20.9 43 75 A P E > - D 0 79A 60 0, 0.0 3,-3.1 0, 0.0 36,-0.3 -0.303 19.3-132.7 -55.9 127.1 53.5 -13.5 19.6 44 76 A M T 3 S+ 0 0 93 34,-2.9 35,-0.1 1,-0.3 33,-0.0 0.666 108.5 62.7 -54.4 -15.8 56.1 -10.6 19.6 45 77 A K T 3 S+ 0 0 173 33,-0.4 -1,-0.3 4,-0.0 34,-0.1 0.344 78.0 141.4 -91.3 1.8 56.9 -11.8 16.1 46 78 A S < - 0 0 37 -3,-3.1 -4,-0.0 1,-0.1 -2,-0.0 -0.084 47.3-148.9 -49.5 142.5 53.3 -11.0 14.9 47 79 A R S S+ 0 0 211 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.921 93.7 31.4 -77.7 -50.1 52.9 -9.6 11.4 48 80 A A S S- 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.826 85.2-157.6-112.6 88.0 49.8 -7.5 12.2 49 81 A P + 0 0 70 0, 0.0 -5,-0.0 0, 0.0 -7,-0.0 -0.324 29.2 153.1 -64.5 146.0 50.0 -6.4 15.9 50 82 A Q > + 0 0 78 3,-0.0 4,-1.7 106,-0.0 3,-0.4 0.470 50.2 82.6-141.8 -28.7 46.8 -5.5 17.6 51 83 A L H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.902 87.7 48.0 -52.3 -63.9 47.3 -6.2 21.3 52 84 A H H > S+ 0 0 90 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.800 117.5 43.1 -53.7 -32.8 49.0 -3.1 22.6 53 85 A L H > S+ 0 0 76 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.758 107.7 57.1 -89.4 -18.5 46.6 -0.7 21.0 54 86 A E H X S+ 0 0 2 -4,-1.7 4,-2.2 -3,-0.5 -2,-0.2 0.898 107.5 52.2 -68.6 -37.9 43.6 -2.7 21.9 55 87 A Y H X S+ 0 0 64 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.913 107.3 50.7 -59.7 -44.3 45.0 -2.2 25.4 56 88 A R H X S+ 0 0 115 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.864 106.4 55.1 -63.1 -37.0 45.1 1.6 24.6 57 89 A F H X S+ 0 0 29 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.914 106.7 51.0 -64.2 -38.9 41.5 1.4 23.5 58 90 A Y H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.911 107.1 53.3 -63.7 -39.8 40.6 -0.1 26.8 59 91 A K H < S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.925 111.4 46.7 -59.2 -42.0 42.4 2.8 28.6 60 92 A Q H < S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 109.3 53.7 -69.3 -32.8 40.3 5.2 26.6 61 93 A L H < S- 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.845 93.4-170.9 -71.1 -31.2 37.1 3.3 27.3 62 94 A G < - 0 0 37 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.1 -0.159 45.3 -26.0 68.2-170.2 37.9 3.5 31.0 63 95 A S S S+ 0 0 123 -4,-0.1 2,-0.3 6,-0.0 6,-0.1 -0.660 81.7 161.2 -79.8 118.6 35.9 1.6 33.6 64 96 A G > - 0 0 19 -2,-0.6 3,-1.7 3,-0.4 2,-0.3 -0.933 46.7 -88.5-140.9 164.8 32.4 1.0 32.3 65 97 A D T 3 S+ 0 0 113 -2,-0.3 55,-0.1 1,-0.3 -2,-0.0 -0.520 115.9 7.9 -68.5 124.4 29.3 -1.1 32.7 66 98 A G T 3 S+ 0 0 4 -2,-0.3 85,-2.2 1,-0.2 -1,-0.3 0.576 101.5 117.2 79.8 5.7 29.7 -4.3 30.5 67 99 A I S < S- 0 0 12 -3,-1.7 -3,-0.4 83,-0.2 -1,-0.2 -0.939 70.4-118.5-109.2 120.3 33.3 -3.5 29.7 68 100 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.255 29.6-112.6 -58.2 139.8 35.8 -6.1 31.1 69 101 A Q - 0 0 109 17,-0.1 16,-2.5 -6,-0.1 2,-0.5 -0.535 27.0-144.6 -74.8 136.3 38.3 -4.8 33.6 70 102 A V E +E 84 0A 40 14,-0.2 14,-0.3 -2,-0.2 3,-0.1 -0.914 21.3 174.6-107.8 127.6 41.9 -4.8 32.4 71 103 A Y E - 0 0 81 12,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.782 56.1 -1.3-101.2 -32.8 44.7 -5.5 34.8 72 104 A Y E -E 83 0A 83 11,-1.3 11,-3.0 2,-0.0 2,-0.4 -0.997 38.9-163.7-162.3 155.7 48.0 -5.7 33.0 73 105 A F E +E 82 0A 54 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.977 41.0 115.7-141.5 125.0 49.9 -5.4 29.7 74 106 A G E -E 81 0A 4 7,-2.7 7,-3.1 -2,-0.4 -2,-0.0 -0.984 60.4 -62.1-178.2 169.3 53.4 -6.7 29.4 75 107 A P E -E 80 0A 90 0, 0.0 -67,-0.6 0, 0.0 5,-0.3 -0.307 38.1-178.6 -66.8 147.6 56.0 -9.2 27.9 76 108 A C E > -E 79 0A 3 3,-3.4 3,-1.9 1,-0.2 2,-0.3 -0.728 59.8 -58.9-151.3 92.3 55.6 -12.9 28.5 77 109 A G T 3 S- 0 0 56 1,-0.3 -1,-0.2 -2,-0.2 -72,-0.0 -0.565 121.2 -21.0 66.8-127.7 58.2 -15.2 27.1 78 110 A K T 3 S+ 0 0 177 -2,-0.3 -34,-2.9 -3,-0.1 -33,-0.4 0.149 129.8 87.5 -97.9 19.2 58.0 -14.5 23.3 79 111 A Y E < S-DE 43 76A 70 -3,-1.9 -3,-3.4 -36,-0.3 2,-0.4 -0.751 70.2-139.1-114.7 162.5 54.5 -13.1 23.8 80 112 A N E -DE 42 75A 43 -38,-2.1 -38,-2.4 -2,-0.3 2,-0.4 -0.957 35.1-158.6-115.0 134.5 53.1 -9.8 24.6 81 113 A A E -DE 41 74A 0 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.4 -0.932 22.9-165.4-128.5 149.6 50.2 -10.2 27.1 82 114 A M E -DE 40 73A 0 -42,-2.4 -42,-2.9 -2,-0.4 2,-0.5 -0.996 16.1-152.9-128.9 124.3 47.1 -8.5 28.3 83 115 A V E +DE 39 72A 0 -11,-3.0 -12,-3.1 -2,-0.4 -11,-1.3 -0.857 22.0 165.7-103.9 126.8 45.4 -9.6 31.4 84 116 A L E -DE 38 70A 17 -46,-2.7 -46,-3.2 -2,-0.5 -14,-0.2 -0.864 43.1 -72.1-135.2 169.6 41.7 -9.0 32.0 85 117 A E E -D 37 0A 37 -16,-2.5 2,-0.3 -2,-0.3 -48,-0.2 -0.290 52.7-117.1 -57.3 135.5 38.7 -10.0 34.2 86 118 A L - 0 0 11 -50,-0.6 54,-0.2 -58,-0.1 2,-0.2 -0.642 38.8-172.2 -79.0 136.5 37.5 -13.6 33.5 87 119 A L - 0 0 17 -2,-0.3 52,-0.2 1,-0.2 3,-0.1 -0.552 21.0 -98.4-118.1-175.0 33.9 -13.7 32.1 88 120 A G - 0 0 15 50,-2.5 -1,-0.2 1,-0.2 52,-0.1 -0.020 60.8 -49.9 -90.4-164.1 31.3 -16.3 31.3 89 121 A P - 0 0 14 0, 0.0 49,-1.9 0, 0.0 -1,-0.2 -0.280 59.0-107.0 -71.2 158.9 30.4 -17.9 27.9 90 122 A S B > -F 137 0B 10 47,-0.2 4,-2.1 1,-0.1 47,-0.3 -0.295 29.1-106.0 -79.6 166.1 29.6 -15.9 24.8 91 123 A L H > S+ 0 0 0 45,-2.4 4,-2.5 42,-1.2 43,-0.2 0.806 121.8 55.8 -61.9 -30.9 26.2 -15.3 23.2 92 124 A E H > S+ 0 0 21 41,-0.8 4,-2.3 44,-0.2 -1,-0.2 0.908 107.4 48.9 -68.7 -41.1 27.1 -17.8 20.4 93 125 A D H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.885 114.4 45.3 -63.4 -42.0 27.9 -20.5 23.1 94 126 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.898 109.0 56.3 -69.1 -39.9 24.6 -19.8 24.8 95 127 A F H ><>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-0.6 0.938 109.1 46.5 -56.3 -48.8 22.7 -19.7 21.5 96 128 A D H ><5S+ 0 0 81 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.911 110.0 54.2 -59.3 -43.0 24.0 -23.3 20.7 97 129 A L H 3<5S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.762 107.9 50.4 -63.4 -26.8 23.0 -24.3 24.2 98 130 A C T <<5S- 0 0 13 -4,-1.6 3,-0.3 -3,-0.6 -1,-0.3 -0.008 125.5-100.1-100.9 26.4 19.5 -23.1 23.6 99 131 A D T < 5S- 0 0 143 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.786 70.1 -66.8 60.0 32.6 19.2 -25.0 20.3 100 132 A R S - 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