==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-APR-13 4KBA . COMPND 2 MOLECULE: CASEIN KINASE I ISOFORM DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LIU . 1099 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 728 66.2 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 . 167 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 42 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 341 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 8 0 0 5 0 0 0 8 0 0 7 0 0 4 0 0 4 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 . 5 7 4 1 4 8 3 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 . 4 4 0 1 3 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 3 A L 0 0 86 0, 0.0 8,-3.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 150.2 -19.0 -3.0 24.5 2 4 A R E -A 8 0A 87 6,-0.2 2,-0.4 3,-0.0 6,-0.2 -0.495 360.0-172.7 -72.1 136.0 -20.2 -6.5 23.4 3 5 A V E >> -A 7 0A 8 4,-3.0 4,-2.5 -2,-0.2 3,-0.8 -0.984 62.7 -20.4-136.5 120.9 -20.0 -7.2 19.6 4 6 A G T 34 S- 0 0 17 -2,-0.4 2,-0.6 1,-0.2 4,-0.1 0.786 108.9 -73.3 50.5 41.5 -21.5 -10.3 17.9 5 7 A N T 34 S+ 0 0 171 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.042 132.7 43.4 68.9 -23.4 -21.7 -12.5 21.0 6 8 A R T <4 S+ 0 0 99 -3,-0.8 21,-2.8 -2,-0.6 22,-0.6 0.513 92.7 84.8-126.9 -10.6 -17.9 -13.1 21.3 7 9 A Y E < -AB 3 26A 9 -4,-2.5 -4,-3.0 19,-0.2 2,-0.5 -0.779 54.8-155.3-103.5 142.9 -16.1 -9.8 20.6 8 10 A R E -AB 2 25A 159 17,-2.2 17,-2.2 -2,-0.3 2,-0.3 -0.978 22.8-131.7-112.8 116.8 -15.4 -7.0 23.2 9 11 A L E - B 0 24A 41 -8,-3.7 15,-0.2 -2,-0.5 2,-0.1 -0.603 28.5-174.2 -76.2 130.3 -15.0 -3.5 21.5 10 12 A G E - 0 0 28 13,-2.6 2,-0.1 -2,-0.3 14,-0.1 -0.102 35.5 -43.5-102.5-159.2 -11.9 -1.6 22.7 11 13 A R E - 0 0 211 1,-0.1 12,-2.5 11,-0.1 2,-0.3 -0.430 59.7 -99.3 -78.3 150.0 -10.6 2.0 22.0 12 14 A K E + B 0 22A 104 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.476 36.7 177.9 -66.0 123.0 -10.6 3.8 18.6 13 15 A I E - 0 0 117 8,-2.1 2,-0.3 -2,-0.3 9,-0.2 0.674 54.7 -64.5-102.8 -21.1 -7.1 3.6 17.1 14 16 A G E - B 0 21A 24 7,-1.7 7,-2.0 0, 0.0 2,-0.3 -0.917 57.0 -68.5 172.4-147.6 -7.7 5.5 13.8 15 17 A S E - B 0 20A 77 5,-0.3 5,-0.3 -2,-0.3 2,-0.2 -0.977 20.5-151.4-143.0 155.4 -9.6 5.5 10.5 16 18 A G E > - B 0 19A 21 3,-3.6 3,-0.6 -2,-0.3 5,-0.1 -0.360 53.2 -78.9-104.3-170.8 -9.9 3.7 7.2 17 19 A S T 3 S+ 0 0 37 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.757 127.6 10.5 -63.4 -31.2 -11.0 5.1 3.9 18 20 A F T 3 S+ 0 0 113 1,-0.1 2,-0.2 19,-0.0 -1,-0.2 -0.283 127.4 22.2-146.5 52.2 -14.7 4.8 4.9 19 21 A G E < S-B 16 0A 17 -3,-0.6 -3,-3.6 2,-0.0 2,-0.3 -0.832 78.1 -81.7 160.6 161.4 -14.9 4.0 8.6 20 22 A D E -BC 15 37A 56 17,-1.0 17,-2.3 -5,-0.3 2,-0.4 -0.646 34.0-138.7 -89.7 142.2 -13.3 4.1 12.1 21 23 A I E -BC 14 36A 38 -7,-2.0 -8,-2.1 -2,-0.3 -7,-1.7 -0.837 22.8-178.5-102.1 136.4 -10.8 1.5 13.3 22 24 A Y E -BC 12 35A 45 13,-2.8 13,-3.1 -2,-0.4 -10,-0.2 -0.937 27.1-121.1-130.9 153.6 -10.9 0.1 16.9 23 25 A L E + C 0 34A 46 -12,-2.5 -13,-2.6 -2,-0.3 2,-0.3 -0.523 43.3 166.0 -85.4 157.1 -8.9 -2.4 18.9 24 26 A G E -BC 9 33A 0 9,-1.8 9,-3.0 -15,-0.2 2,-0.4 -0.983 30.9-117.9-163.4 173.8 -10.8 -5.4 20.3 25 27 A T E -BC 8 32A 42 -17,-2.2 -17,-2.2 -2,-0.3 2,-1.0 -0.988 11.0-143.2-130.4 131.6 -10.8 -8.8 21.9 26 28 A D E >> -BC 7 31A 0 5,-4.0 5,-1.9 -2,-0.4 4,-1.4 -0.817 22.5-169.7 -85.7 101.4 -12.1 -12.2 20.7 27 29 A I T 45S+ 0 0 105 -21,-2.8 -1,-0.2 -2,-1.0 -20,-0.1 0.836 79.9 51.4 -61.5 -39.7 -13.3 -13.4 24.1 28 30 A A T 45S+ 0 0 72 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.901 120.0 31.4 -68.5 -45.3 -13.9 -17.0 22.9 29 31 A A T 45S- 0 0 40 -23,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.587 104.6-123.4 -89.7 -13.0 -10.5 -17.6 21.2 30 32 A G T <5 + 0 0 59 -4,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.959 65.6 133.0 66.4 51.7 -8.5 -15.4 23.7 31 33 A E E < -C 26 0A 97 -5,-1.9 -5,-4.0 50,-0.0 -1,-0.2 -0.999 59.1-122.4-139.4 139.0 -7.1 -13.2 20.9 32 34 A E E -C 25 0A 89 -2,-0.4 50,-0.8 -7,-0.3 -7,-0.3 -0.571 39.2-174.9 -76.0 137.9 -6.8 -9.5 20.3 33 35 A V E -CD 24 81A 1 -9,-3.0 -9,-1.8 -2,-0.2 2,-0.4 -0.802 26.4-118.7-128.9 173.5 -8.5 -8.3 17.1 34 36 A A E -CD 23 80A 19 46,-2.8 46,-3.1 -2,-0.2 2,-0.4 -0.962 28.4-159.9-116.1 130.2 -9.0 -5.2 14.9 35 37 A I E -CD 22 79A 1 -13,-3.1 -13,-2.8 -2,-0.4 2,-0.5 -0.968 6.5-161.1-120.1 129.0 -12.5 -4.0 14.4 36 38 A K E -CD 21 78A 14 42,-2.9 42,-2.6 -2,-0.4 2,-0.3 -0.952 10.0-164.9-111.2 126.3 -13.8 -1.7 11.6 37 39 A L E +CD 20 77A 12 -17,-2.3 -17,-1.0 -2,-0.5 40,-0.2 -0.883 12.1 173.9-111.7 139.2 -17.1 0.2 12.2 38 40 A E - 0 0 19 38,-1.6 -1,-0.1 -2,-0.3 37,-0.1 0.879 41.8-102.7-108.2 -62.2 -19.2 1.8 9.4 39 41 A C > - 0 0 57 37,-0.1 3,-1.4 3,-0.1 36,-0.3 0.316 19.2-136.0 122.5 109.4 -22.7 3.3 10.2 40 42 A V T 3 S+ 0 0 56 34,-2.2 35,-0.1 1,-0.2 34,-0.1 0.894 104.0 49.2 -54.1 -41.4 -25.7 1.2 9.1 41 43 A K T 3 S+ 0 0 197 33,-0.4 -1,-0.2 3,-0.0 34,-0.1 0.350 79.5 138.6 -84.4 3.9 -27.6 4.3 7.8 42 44 A T < - 0 0 57 -3,-1.4 -3,-0.1 1,-0.1 -4,-0.0 -0.116 59.7-126.9 -51.1 143.7 -24.6 5.7 5.8 43 45 A K S S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.869 104.3 33.3 -60.3 -42.2 -25.7 7.0 2.3 44 46 A H S S- 0 0 140 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.734 83.0-159.2-117.5 75.8 -23.0 4.9 0.5 45 47 A P + 0 0 78 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.313 27.8 152.8 -61.5 135.1 -22.7 1.5 2.4 46 48 A Q > + 0 0 20 -28,-0.2 4,-2.5 3,-0.1 5,-0.2 0.467 41.4 93.0-139.4 -15.7 -19.4 -0.1 1.5 47 49 A L H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.852 92.5 44.7 -55.7 -42.1 -18.3 -2.3 4.5 48 50 A H H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.829 111.7 54.0 -74.1 -28.0 -19.9 -5.5 3.1 49 51 A I H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.942 110.6 46.6 -65.3 -47.0 -18.4 -4.8 -0.4 50 52 A E H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.884 108.7 55.6 -60.7 -41.5 -14.9 -4.5 1.2 51 53 A S H X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.887 105.9 51.7 -58.7 -42.3 -15.6 -7.8 3.2 52 54 A K H X S+ 0 0 121 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.899 110.1 49.0 -61.4 -42.4 -16.3 -9.5 -0.1 53 55 A I H X S+ 0 0 9 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.962 113.2 46.0 -63.0 -51.4 -12.9 -8.2 -1.5 54 56 A Y H X S+ 0 0 8 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.911 113.4 50.7 -55.0 -46.2 -11.0 -9.4 1.6 55 57 A K H >< S+ 0 0 128 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.888 110.9 48.0 -58.7 -45.4 -12.9 -12.8 1.3 56 58 A M H 3< S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.817 112.5 49.8 -66.3 -32.9 -12.0 -13.2 -2.4 57 59 A M H >< S+ 0 0 2 -4,-2.0 3,-1.5 -5,-0.2 -1,-0.2 0.443 83.0 122.9 -87.9 -1.3 -8.3 -12.3 -1.6 58 60 A Q T << + 0 0 58 -3,-0.9 3,-0.1 -4,-0.5 7,-0.1 -0.235 65.3 37.8 -59.4 145.8 -8.0 -14.9 1.4 59 61 A G T 3 S+ 0 0 84 1,-0.4 -1,-0.2 4,-0.3 2,-0.2 0.079 88.9 117.1 97.6 -24.6 -5.2 -17.4 0.9 60 62 A G S X S- 0 0 11 -3,-1.5 3,-1.4 1,-0.1 -1,-0.4 -0.540 77.7 -99.2 -75.5 142.8 -2.9 -14.8 -0.6 61 63 A V T 3 S+ 0 0 30 1,-0.3 -1,-0.1 -2,-0.2 55,-0.1 -0.375 106.9 12.3 -62.4 133.8 0.3 -14.0 1.4 62 64 A G T 3 S+ 0 0 3 1,-0.2 83,-2.3 1034,-0.2 -1,-0.3 0.734 91.3 130.1 69.4 22.7 0.0 -10.8 3.4 63 65 A I < - 0 0 10 -3,-1.4 -4,-0.3 81,-0.2 -1,-0.2 -0.955 62.2-118.7-106.4 120.9 -3.8 -10.6 3.0 64 66 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.365 22.3-117.7 -65.5 142.9 -5.4 -10.1 6.4 65 67 A T - 0 0 67 -2,-0.1 16,-2.3 -7,-0.1 2,-0.6 -0.654 18.5-143.9 -80.2 124.2 -7.8 -12.7 7.7 66 68 A I E -E 80 0A 22 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.833 16.9-176.0 -93.0 114.6 -11.4 -11.5 8.3 67 69 A R E + 0 0 96 12,-2.0 2,-0.3 -2,-0.6 13,-0.2 0.848 61.9 1.7 -80.5 -39.4 -12.8 -13.3 11.4 68 70 A W E -E 79 0A 75 11,-1.4 11,-3.3 2,-0.0 2,-0.3 -0.990 49.9-166.1-154.0 152.8 -16.4 -11.9 11.5 69 71 A C E +E 78 0A 40 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 37.2 110.1-140.7 127.4 -18.9 -9.7 9.5 70 72 A G E -E 77 0A 14 7,-2.2 7,-3.3 -2,-0.3 2,-0.4 -0.908 57.5 -90.9-169.6-164.2 -22.2 -8.5 10.9 71 73 A A E -E 76 0A 58 5,-0.3 2,-0.4 -2,-0.3 5,-0.3 -0.999 27.5-175.6-138.1 130.8 -24.2 -5.5 12.2 72 74 A E E > -E 75 0A 68 3,-2.8 3,-2.6 -2,-0.4 -32,-0.1 -0.996 57.5 -57.8-130.0 118.2 -24.4 -4.3 15.9 73 75 A G T 3 S- 0 0 78 -2,-0.4 -33,-0.1 1,-0.3 0, 0.0 -0.194 125.4 -0.9 50.3-116.5 -26.8 -1.4 16.8 74 76 A D T 3 S+ 0 0 118 -34,-0.1 -34,-2.2 -35,-0.1 -33,-0.4 0.427 125.3 71.2 -79.6 -5.1 -25.9 1.7 14.8 75 77 A Y E < - E 0 72A 89 -3,-2.6 -3,-2.8 -36,-0.3 2,-0.3 -0.921 68.2-135.6-129.3 151.8 -23.0 -0.0 12.9 76 78 A N E - E 0 71A 17 -2,-0.3 -38,-1.6 -5,-0.3 2,-0.5 -0.751 39.7-148.3 -87.5 135.1 -21.9 -2.5 10.3 77 79 A V E -DE 37 70A 3 -7,-3.3 -7,-2.2 -2,-0.3 2,-0.5 -0.961 22.0-177.3-125.4 122.0 -19.0 -4.5 11.9 78 80 A M E -DE 36 69A 5 -42,-2.6 -42,-2.9 -2,-0.5 2,-0.5 -0.959 12.0-160.3-114.7 128.6 -16.0 -6.1 10.3 79 81 A V E +DE 35 68A 0 -11,-3.3 -12,-2.0 -2,-0.5 -11,-1.4 -0.955 13.5 178.1-113.5 124.3 -13.5 -8.1 12.5 80 82 A M E -DE 34 66A 21 -46,-3.1 -46,-2.8 -2,-0.5 -14,-0.2 -0.874 36.9 -92.0-121.7 155.7 -10.0 -8.7 11.3 81 83 A E E -D 33 0A 45 -16,-2.3 2,-0.3 -2,-0.3 -48,-0.2 -0.243 56.1 -92.0 -60.9 154.1 -7.0 -10.5 12.9 82 84 A L - 0 0 51 -50,-0.8 54,-0.4 -49,-0.1 2,-0.2 -0.589 49.1-176.6 -74.9 129.7 -4.7 -8.1 14.8 83 85 A L - 0 0 16 -2,-0.3 52,-0.2 1,-0.2 3,-0.1 -0.730 21.2-110.2-117.6 169.3 -1.8 -6.7 12.7 84 86 A G - 0 0 15 50,-2.6 -1,-0.2 -2,-0.2 52,-0.1 0.153 53.4 -43.9 -85.5-158.6 1.1 -4.5 13.7 85 87 A P - 0 0 55 0, 0.0 49,-2.3 0, 0.0 -1,-0.2 -0.261 59.8-107.1 -68.3 159.3 2.0 -0.9 13.0 86 88 A S B > -F 133 0B 6 47,-0.2 4,-2.9 1,-0.1 47,-0.2 -0.384 28.0-111.5 -77.9 162.2 1.8 0.7 9.5 87 89 A L H > S+ 0 0 0 45,-2.2 4,-2.4 42,-1.3 43,-0.2 0.858 122.6 55.1 -63.8 -30.0 4.9 1.5 7.5 88 90 A E H > S+ 0 0 21 41,-0.5 4,-2.2 44,-0.3 -1,-0.2 0.932 109.7 44.8 -65.4 -48.4 4.0 5.2 8.1 89 91 A D H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.913 115.9 47.9 -60.3 -44.7 4.0 4.6 11.9 90 92 A L H X S+ 0 0 13 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.842 109.8 52.4 -66.3 -34.5 7.3 2.5 11.6 91 93 A F H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 6,-0.6 0.939 112.0 45.2 -65.3 -48.1 8.9 5.3 9.4 92 94 A N H ><5S+ 0 0 73 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.855 111.4 53.0 -62.8 -38.8 8.1 8.0 12.0 93 95 A F H 3<5S+ 0 0 152 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 107.3 53.2 -67.7 -27.7 9.3 5.7 14.8 94 96 A C T ><5S- 0 0 19 -4,-1.2 3,-0.7 -3,-0.3 -1,-0.3 0.083 126.0-102.2 -94.2 21.0 12.6 5.3 12.8 95 97 A S T < 5 - 0 0 107 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.816 67.8 -68.0 61.6 34.1 13.0 9.1 12.6 96 98 A R T 3 - 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