==== 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 29-AUG-12 4GUB . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.A.LARSEN,J.E.DOWLING . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 23 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 0 0 0 2 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 2 0 1 1 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 2 A S 0 0 139 0, 0.0 261,-0.1 0, 0.0 260,-0.0 0.000 360.0 360.0 360.0-177.1 26.3 30.0 36.8 2 3 A G - 0 0 36 259,-0.2 260,-0.0 2,-0.1 0, 0.0 0.569 360.0 -91.9 89.3 116.5 28.8 31.0 34.1 3 4 A P - 0 0 78 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.219 41.4-109.8 -56.5 148.5 27.6 31.3 30.6 4 5 A V - 0 0 62 256,-3.5 -2,-0.1 1,-0.1 256,-0.0 -0.704 41.0-110.4 -77.8 131.4 27.8 28.1 28.4 5 6 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.258 33.1-159.9 -63.3 150.6 30.6 28.6 25.7 6 7 A S - 0 0 2 201,-0.1 178,-0.5 202,-0.1 2,-0.4 -0.978 8.0-164.3-131.1 145.6 29.6 28.9 22.0 7 8 A R - 0 0 118 -2,-0.3 202,-0.1 176,-0.1 2,-0.1 -0.971 33.7-102.9-126.3 143.7 31.5 28.4 18.7 8 9 A A - 0 0 5 -2,-0.4 4,-0.2 1,-0.1 301,-0.1 -0.379 24.0-136.9 -59.6 136.9 30.5 29.5 15.1 9 10 A R S S+ 0 0 115 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.696 87.0 27.9 -68.3 -26.1 29.1 26.6 13.1 10 11 A V S S+ 0 0 49 1,-0.1 200,-0.2 2,-0.1 -1,-0.0 -0.949 119.8 17.3-135.4 157.8 31.1 27.8 10.0 11 12 A Y S > S+ 0 0 50 -2,-0.3 3,-0.5 1,-0.1 4,-0.2 0.768 76.1 151.8 53.1 34.1 34.3 29.8 9.4 12 13 A T T 3 + 0 0 32 1,-0.2 3,-0.4 -4,-0.2 4,-0.2 0.934 69.0 24.6 -58.7 -62.4 35.4 29.1 13.0 13 14 A D T 3> S+ 0 0 79 1,-0.2 4,-1.2 2,-0.1 -1,-0.2 0.068 86.3 119.2 -98.4 19.5 39.2 29.1 12.9 14 15 A V T <4 S+ 0 0 37 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.827 81.1 37.0 -58.8 -37.1 39.4 31.3 9.8 15 16 A N T >4 S+ 0 0 0 166,-0.4 3,-1.7 -3,-0.4 -1,-0.2 0.832 109.0 61.0 -87.2 -32.3 41.4 34.1 11.5 16 17 A T T 34 S+ 0 0 82 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.738 105.8 52.8 -60.8 -26.3 43.5 31.9 13.7 17 18 A H T 3< S+ 0 0 148 -4,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.239 99.1 73.2 -96.4 5.2 44.8 30.5 10.4 18 19 A R S < S- 0 0 99 -3,-1.7 5,-0.1 1,-0.1 -3,-0.0 -0.877 92.5 -91.6-117.6 152.7 45.8 33.9 8.8 19 20 A P >> - 0 0 98 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.217 40.0-103.4 -63.6 158.6 48.9 36.0 9.8 20 21 A R H >> S+ 0 0 156 1,-0.3 4,-3.3 2,-0.2 3,-0.9 0.850 116.4 70.0 -45.0 -46.8 48.6 38.8 12.4 21 22 A E H 34 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.751 95.1 58.8 -44.9 -33.1 48.5 41.5 9.6 22 23 A Y H <4 S+ 0 0 23 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.908 127.1 4.5 -65.1 -53.0 45.1 40.2 8.7 23 24 A W H << S+ 0 0 61 -3,-0.9 2,-1.5 -4,-0.5 -2,-0.2 0.490 104.1 90.2-115.9 -14.3 43.1 40.7 11.9 24 25 A D >< + 0 0 27 -4,-3.3 3,-1.3 1,-0.2 4,-0.4 -0.514 51.3 168.4 -90.2 67.0 45.5 42.5 14.4 25 26 A Y G > + 0 0 25 -2,-1.5 3,-0.6 1,-0.3 -1,-0.2 0.616 62.4 67.0 -54.7 -27.2 44.4 45.9 13.2 26 27 A E G 3 S+ 0 0 79 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.865 102.7 47.3 -67.3 -35.1 46.1 47.9 16.0 27 28 A S G < S+ 0 0 77 -3,-1.3 -1,-0.2 -7,-0.1 2,-0.2 0.518 87.3 114.9 -83.1 -5.7 49.5 47.0 14.7 28 29 A H < - 0 0 18 -3,-0.6 2,-0.5 -4,-0.4 54,-0.0 -0.479 63.5-136.0 -69.7 129.0 48.5 47.9 11.0 29 30 A V - 0 0 125 -2,-0.2 2,-0.5 2,-0.0 -2,-0.1 -0.780 15.9-150.3 -89.9 123.9 50.4 50.9 9.6 30 31 A V - 0 0 18 -2,-0.5 2,-0.9 2,-0.0 48,-0.0 -0.866 7.3-154.1-102.8 126.5 48.2 53.5 7.7 31 32 A E - 0 0 181 -2,-0.5 2,-0.3 69,-0.0 68,-0.2 -0.859 25.7-148.3 -94.8 99.0 49.6 55.6 4.8 32 33 A W - 0 0 55 -2,-0.9 68,-0.2 1,-0.1 2,-0.0 -0.616 11.2-159.8 -76.9 131.5 47.3 58.7 5.0 33 34 A G E -a 100 0A 28 66,-2.7 68,-1.1 -2,-0.3 2,-0.4 0.012 29.5 -81.7 -87.9-162.3 46.5 60.5 1.8 34 35 A N E > -a 101 0A 70 66,-0.2 3,-0.9 1,-0.1 68,-0.2 -0.938 16.2-159.1-115.9 131.8 45.2 64.0 1.3 35 36 A Q G > S+ 0 0 20 66,-1.8 3,-2.4 -2,-0.4 67,-0.1 0.693 87.2 80.6 -73.7 -21.1 41.6 65.2 1.7 36 37 A D G 3 S+ 0 0 97 65,-0.3 -1,-0.2 1,-0.3 66,-0.1 0.663 80.3 67.4 -60.9 -16.3 42.5 68.3 -0.5 37 38 A D G < S+ 0 0 54 -3,-0.9 21,-1.7 21,-0.1 22,-0.4 0.488 96.2 70.8 -80.5 -3.7 42.1 66.0 -3.5 38 39 A Y E < -B 57 0A 21 -3,-2.4 2,-0.6 19,-0.2 19,-0.2 -0.939 68.3-153.7-120.7 134.9 38.3 65.9 -2.7 39 40 A Q E -B 56 0A 119 17,-2.9 17,-2.7 -2,-0.4 2,-0.1 -0.955 21.6-136.2-106.1 114.1 35.7 68.6 -3.0 40 41 A L E +B 55 0A 64 -2,-0.6 15,-0.3 15,-0.3 3,-0.1 -0.459 23.7 179.6 -71.3 140.6 32.9 68.1 -0.6 41 42 A V E - 0 0 79 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.766 56.8 -15.8-112.0 -55.2 29.4 68.7 -2.2 42 43 A R E -B 54 0A 132 12,-1.4 12,-2.9 0, 0.0 -1,-0.4 -0.989 66.2 -98.6-152.7 160.6 26.7 68.2 0.5 43 44 A K E -B 53 0A 94 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.599 28.0-174.9 -80.3 129.8 26.2 66.6 3.9 44 45 A L E - 0 0 83 8,-3.2 2,-0.3 1,-0.3 9,-0.2 0.594 52.0 -82.7-100.0 -17.7 24.7 63.1 3.8 45 46 A G E -B 52 0A 28 7,-1.3 7,-3.2 2,-0.0 -1,-0.3 -0.970 43.3 -85.9 148.9-163.6 24.3 62.5 7.5 46 47 A R E -B 51 0A 151 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.995 17.2-157.7-147.9 154.2 26.0 61.4 10.6 47 48 A G E > -B 50 0A 27 3,-2.1 3,-0.8 -2,-0.3 5,-0.0 -0.508 51.0 -80.9-114.2-175.1 27.0 58.3 12.7 48 49 A K T 3 S+ 0 0 186 1,-0.3 3,-0.0 -2,-0.2 -1,-0.0 0.881 131.2 8.6 -59.0 -39.6 27.9 57.9 16.5 49 50 A Y T 3 S+ 0 0 91 19,-0.0 21,-0.6 21,-0.0 2,-0.3 -0.208 122.8 80.1-134.1 38.8 31.5 59.1 15.8 50 51 A S E < -BC 47 69A 7 -3,-0.8 -3,-2.1 19,-0.2 2,-0.4 -0.998 51.8-157.8-150.6 153.2 31.1 60.3 12.1 51 52 A E E -BC 46 68A 54 17,-1.8 17,-2.9 -2,-0.3 2,-0.4 -0.999 27.4-149.7-128.5 123.3 30.0 63.1 9.8 52 53 A V E -BC 45 67A 24 -7,-3.2 -8,-3.2 -2,-0.4 -7,-1.3 -0.847 15.7-179.8-110.4 136.2 29.2 62.0 6.2 53 54 A F E -BC 43 66A 39 13,-2.8 13,-3.6 -2,-0.4 2,-0.5 -0.966 28.8-131.2-130.6 149.1 29.5 64.0 2.9 54 55 A E E +BC 42 65A 27 -12,-2.9 -13,-3.3 -2,-0.3 -12,-1.4 -0.821 45.8 173.1 -90.7 128.5 28.9 63.4 -0.8 55 56 A A E -BC 40 64A 0 9,-3.4 9,-2.4 -2,-0.5 2,-0.4 -0.815 30.1-122.6-133.2 176.6 32.1 64.6 -2.5 56 57 A I E -BC 39 63A 34 -17,-2.7 -17,-2.9 -2,-0.3 2,-0.9 -0.986 19.9-128.5-126.0 134.0 33.9 64.9 -5.8 57 58 A N E >> -B 38 0A 20 5,-2.3 4,-2.1 -2,-0.4 3,-0.6 -0.759 23.3-152.4 -78.4 105.7 37.3 63.5 -6.7 58 59 A I T 34 S+ 0 0 91 -21,-1.7 -1,-0.2 -2,-0.9 3,-0.1 0.863 88.4 54.9 -44.9 -51.3 38.8 66.8 -8.3 59 60 A T T 34 S+ 0 0 106 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.809 127.7 14.4 -55.9 -43.7 41.2 64.8 -10.6 60 61 A N T <4 S- 0 0 80 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.314 92.6-125.5-121.9 6.7 38.6 62.7 -12.4 61 62 A N < + 0 0 123 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.509 56.4 151.6 58.5 12.4 35.1 64.3 -11.4 62 63 A E - 0 0 126 -5,-0.4 -5,-2.3 1,-0.1 -1,-0.2 -0.484 50.1-113.7 -74.3 138.5 33.8 61.0 -10.0 63 64 A K E +C 56 0A 106 -7,-0.2 51,-0.6 -2,-0.2 2,-0.3 -0.427 43.3 175.3 -69.9 144.6 31.2 61.1 -7.2 64 65 A V E -CD 55 113A 10 -9,-2.4 -9,-3.4 49,-0.2 2,-0.5 -0.967 31.0-124.4-148.7 157.2 32.4 59.8 -3.9 65 66 A V E -CD 54 112A 28 47,-2.5 47,-3.2 -2,-0.3 2,-0.6 -0.959 23.4-161.4-111.6 122.9 31.2 59.4 -0.3 66 67 A V E -CD 53 111A 0 -13,-3.6 -13,-2.8 -2,-0.5 2,-0.7 -0.928 2.8-165.9-108.3 115.3 33.5 61.0 2.4 67 68 A K E -CD 52 110A 8 43,-2.8 43,-1.9 -2,-0.6 2,-0.4 -0.880 9.8-153.4-103.5 105.0 33.1 59.8 6.1 68 69 A I E -CD 51 109A 25 -17,-2.9 -17,-1.8 -2,-0.7 2,-1.2 -0.649 14.9-135.4 -76.6 126.7 34.9 62.1 8.5 69 70 A L E -C 50 0A 11 39,-2.8 3,-0.3 -2,-0.4 -19,-0.2 -0.753 21.7-157.1 -95.1 91.5 35.8 60.2 11.6 70 71 A K - 0 0 61 -2,-1.2 -21,-0.0 -21,-0.6 -22,-0.0 -0.167 58.9 -35.8 -53.5 156.6 34.9 62.5 14.5 71 72 A P S S+ 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.178 89.6 140.4 -27.2 101.6 36.7 61.9 17.9 72 73 A V - 0 0 44 -3,-0.3 2,-0.3 0, 0.0 -3,-0.0 -0.829 60.0 -87.9-133.5 172.8 37.1 58.1 17.9 73 74 A K >> - 0 0 127 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.692 30.3-129.0 -85.2 141.8 40.0 55.9 19.1 74 75 A K H 3> S+ 0 0 99 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.693 108.3 69.8 -63.6 -17.3 42.5 55.2 16.4 75 76 A K H 3> S+ 0 0 103 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.922 103.5 40.1 -61.9 -48.2 42.1 51.5 17.4 76 77 A K H <> S+ 0 0 40 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.857 112.6 56.2 -71.8 -37.2 38.5 51.6 15.9 77 78 A I H X S+ 0 0 7 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.928 109.8 45.6 -57.1 -49.7 39.7 53.7 12.9 78 79 A K H X S+ 0 0 46 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.797 109.4 56.0 -65.6 -31.2 42.3 51.0 12.0 79 80 A R H X S+ 0 0 21 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.849 108.5 46.4 -67.3 -41.4 39.8 48.2 12.5 80 81 A E H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.918 113.7 49.3 -71.0 -40.0 37.3 49.7 10.0 81 82 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.950 112.3 47.5 -60.1 -52.9 40.2 50.2 7.5 82 83 A K H X S+ 0 0 10 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.849 112.9 48.0 -60.4 -39.6 41.5 46.7 7.9 83 84 A I H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.936 113.7 47.2 -65.9 -48.4 38.0 45.1 7.5 84 85 A L H < S+ 0 0 1 -4,-2.4 4,-0.4 1,-0.2 12,-0.2 0.885 113.8 47.5 -60.6 -43.5 37.2 47.3 4.4 85 86 A E H < S+ 0 0 53 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.789 111.7 50.3 -68.4 -33.7 40.7 46.4 2.8 86 87 A N H < S+ 0 0 24 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.743 114.5 44.5 -74.5 -27.8 40.3 42.7 3.5 87 88 A L S >< S+ 0 0 0 -4,-1.4 3,-2.0 -3,-0.1 -2,-0.2 0.362 81.9 131.0 -97.7 -1.0 36.8 42.7 1.9 88 89 A R T 3 S+ 0 0 115 -4,-0.4 7,-0.1 -3,-0.3 6,-0.1 -0.371 75.1 22.3 -61.8 127.0 37.7 44.8 -1.2 89 90 A G T 3 S+ 0 0 74 1,-0.4 -1,-0.3 4,-0.3 3,-0.1 0.370 93.8 139.2 90.7 2.2 36.5 43.2 -4.4 90 91 A G X - 0 0 9 -3,-2.0 3,-1.3 4,-0.1 -1,-0.4 -0.424 64.3 -91.3 -73.3 148.8 33.9 41.3 -2.4 91 92 A P T 3 S- 0 0 55 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.431 103.2 -6.3 -71.0 132.7 30.3 40.9 -3.8 92 93 A N T 3 S+ 0 0 16 1,-0.2 80,-3.0 -2,-0.2 2,-0.4 0.668 101.3 128.6 57.0 24.3 27.9 43.7 -2.8 93 94 A I B < -f 172 0B 5 -3,-1.3 -4,-0.3 78,-0.2 -1,-0.2 -0.910 66.0-109.7-108.0 130.0 30.4 45.2 -0.4 94 95 A I - 0 0 5 78,-1.8 2,-0.4 -2,-0.4 -4,-0.1 -0.326 32.6-123.3 -61.8 137.1 31.2 48.9 -0.7 95 96 A T - 0 0 55 -7,-0.1 18,-1.9 -6,-0.1 2,-0.7 -0.756 9.8-135.3 -88.7 131.4 34.7 49.7 -2.0 96 97 A L E - E 0 112A 3 -2,-0.4 16,-0.3 -12,-0.2 3,-0.1 -0.775 22.6-176.2 -85.5 111.7 37.1 51.9 0.0 97 98 A A E - 0 0 57 14,-2.6 2,-0.3 -2,-0.7 15,-0.2 0.830 59.2 -13.1 -80.9 -36.7 38.5 54.3 -2.5 98 99 A D E - E 0 111A 52 13,-1.5 13,-2.8 -65,-0.0 2,-0.4 -0.971 49.3-134.0-161.5 163.4 41.0 56.2 -0.3 99 100 A I E + E 0 110A 19 -2,-0.3 -66,-2.7 11,-0.2 2,-0.3 -0.999 41.9 168.1-126.0 118.5 42.2 56.8 3.3 100 101 A V E -aE 33 109A 0 9,-2.9 9,-3.0 -2,-0.4 2,-0.3 -0.860 30.5-149.2-132.3 170.9 42.8 60.5 4.0 101 102 A K E -aE 34 108A 23 -68,-1.1 -66,-1.8 -2,-0.3 -65,-0.3 -0.981 36.0-106.3-136.4 144.3 43.4 63.2 6.6 102 103 A D > - 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