==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-DEC-10 3AT4 . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KINOSHITA . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 12.4 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 . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 26.0 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 3 1 0 0 1 0 1 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 2 0 0 2 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 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 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 0 137 0, 0.0 262,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.2 -3.9 -11.4 12.7 2 3 A G - 0 0 54 1,-0.1 260,-0.0 260,-0.1 0, 0.0 -0.331 360.0 -81.0 -80.9 168.2 -5.8 -9.7 10.0 3 4 A P - 0 0 78 0, 0.0 258,-0.2 0, 0.0 -1,-0.1 -0.220 45.5-103.9 -67.6 158.3 -4.9 -9.7 6.3 4 5 A V - 0 0 56 256,-2.1 203,-0.1 1,-0.1 255,-0.0 -0.659 40.6-112.9 -83.8 135.1 -2.3 -7.4 4.8 5 6 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.175 34.8-163.2 -63.5 161.1 -3.8 -4.4 2.8 6 7 A S - 0 0 3 202,-0.1 178,-0.6 201,-0.1 2,-0.3 -0.991 11.2-163.1-148.0 155.0 -3.3 -4.2 -1.0 7 8 A R - 0 0 109 -2,-0.3 2,-0.1 176,-0.1 202,-0.1 -0.963 32.9-102.2-137.6 153.6 -3.5 -1.7 -3.8 8 9 A A - 0 0 4 -2,-0.3 4,-0.1 1,-0.1 301,-0.1 -0.486 26.0-136.4 -71.7 145.0 -3.8 -1.9 -7.6 9 10 A R S S+ 0 0 123 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.579 86.0 33.8 -79.7 -8.9 -0.4 -1.2 -9.2 10 11 A V S S+ 0 0 46 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.980 116.5 16.6-144.2 156.2 -2.1 1.0 -11.8 11 12 A Y S > S+ 0 0 50 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 0.832 75.2 151.8 51.2 35.5 -5.1 3.3 -12.1 12 13 A T T 3 S+ 0 0 36 1,-0.2 3,-0.2 -4,-0.1 4,-0.1 0.892 70.0 23.0 -63.0 -45.4 -5.1 3.4 -8.3 13 14 A D T 3> S+ 0 0 71 1,-0.1 4,-1.3 2,-0.1 -1,-0.2 -0.089 80.8 118.8-118.2 37.0 -6.6 6.9 -7.9 14 15 A V T <4 S+ 0 0 36 -3,-0.7 -1,-0.1 1,-0.2 -2,-0.1 0.884 86.8 37.1 -67.6 -39.3 -8.5 7.5 -11.1 15 16 A N T >4 S+ 0 0 1 166,-0.4 3,-1.9 -4,-0.3 -1,-0.2 0.813 105.1 70.7 -80.4 -32.1 -11.9 7.8 -9.3 16 17 A T T 34 S+ 0 0 73 1,-0.3 -2,-0.2 -4,-0.1 -1,-0.2 0.904 106.7 37.9 -49.6 -45.0 -10.4 9.6 -6.4 17 18 A H T 3< S+ 0 0 158 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.307 101.4 91.1 -92.9 7.9 -9.8 12.6 -8.6 18 19 A R S < S- 0 0 98 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.573 90.4 -78.6-101.0 166.6 -13.1 12.5 -10.7 19 20 A P >> - 0 0 78 0, 0.0 3,-2.1 0, 0.0 4,-0.8 -0.357 40.5-121.2 -60.3 138.9 -16.4 14.2 -10.0 20 21 A R H >> S+ 0 0 168 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.896 112.7 61.7 -48.7 -43.1 -18.4 12.3 -7.3 21 22 A E H 34 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.2 7,-0.0 0.769 92.0 67.7 -56.2 -26.9 -21.2 11.9 -9.8 22 23 A Y H <4 S+ 0 0 17 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.956 119.3 16.6 -59.0 -51.4 -18.9 9.9 -12.0 23 24 A W H << S+ 0 0 61 -4,-0.8 2,-1.3 -3,-0.6 -2,-0.2 0.501 104.2 91.4-100.4 -6.8 -18.7 7.0 -9.6 24 25 A D >< + 0 0 30 -4,-2.2 3,-1.6 -5,-0.2 4,-0.4 -0.450 43.3 161.7 -90.7 65.0 -21.7 7.7 -7.4 25 26 A Y G > + 0 0 23 -2,-1.3 3,-0.8 1,-0.3 -1,-0.2 0.666 62.4 75.1 -56.2 -22.3 -24.3 5.7 -9.3 26 27 A E G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.877 100.4 43.0 -61.3 -34.6 -26.7 5.6 -6.3 27 28 A S G < S+ 0 0 70 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.507 89.7 119.4 -87.3 -5.5 -27.6 9.2 -7.0 28 29 A H < - 0 0 33 -3,-0.8 2,-0.6 -4,-0.4 50,-0.1 -0.411 55.9-147.3 -65.2 132.2 -27.8 8.5 -10.8 29 30 A V - 0 0 120 -2,-0.1 2,-0.2 49,-0.0 -1,-0.1 -0.897 13.6-134.6-104.6 115.9 -31.2 9.3 -12.2 30 31 A V - 0 0 22 -2,-0.6 2,-0.5 1,-0.0 48,-0.0 -0.473 11.2-153.3 -72.1 134.4 -32.2 7.0 -15.1 31 32 A E - 0 0 176 -2,-0.2 2,-0.3 69,-0.0 68,-0.1 -0.917 20.4-138.2-105.9 132.7 -33.7 8.6 -18.1 32 33 A W - 0 0 93 -2,-0.5 68,-0.2 66,-0.1 2,-0.1 -0.699 11.5-154.5-101.5 149.8 -36.0 6.3 -20.1 33 34 A G - 0 0 22 66,-3.5 2,-0.8 -2,-0.3 68,-0.4 -0.195 43.3 -73.1 -97.3-166.4 -36.5 5.6 -23.8 34 35 A N > - 0 0 92 1,-0.2 3,-2.3 66,-0.1 4,-0.2 -0.813 28.4-164.7-100.7 109.3 -39.6 4.3 -25.5 35 36 A Q G > S+ 0 0 81 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.753 87.9 72.4 -60.4 -19.4 -40.2 0.6 -25.0 36 37 A D G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.626 84.5 66.5 -70.7 -13.2 -42.6 0.9 -27.9 37 38 A D G < S+ 0 0 33 -3,-2.3 21,-1.5 21,-0.1 22,-0.6 0.551 95.8 69.5 -84.6 -6.8 -39.7 1.2 -30.3 38 39 A Y E < -A 57 0A 34 -3,-1.4 2,-0.5 19,-0.2 19,-0.2 -0.932 55.7-172.9-122.7 137.8 -38.6 -2.4 -29.6 39 40 A Q E -A 56 0A 122 17,-2.5 17,-2.3 -2,-0.4 2,-0.1 -0.982 25.9-126.5-124.6 126.1 -40.0 -5.8 -30.4 40 41 A L E +A 55 0A 82 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.386 30.6 169.7 -68.1 145.5 -38.6 -9.0 -29.1 41 42 A V E + 0 0 69 13,-2.8 2,-0.3 1,-0.4 14,-0.2 0.682 58.4 0.1-124.1 -44.7 -37.7 -11.6 -31.7 42 43 A R E -A 54 0A 132 12,-1.7 12,-3.6 0, 0.0 -1,-0.4 -0.995 64.1-114.7-153.0 146.4 -35.8 -14.5 -30.1 43 44 A K E -A 53 0A 124 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.652 24.2-177.0 -81.1 135.5 -34.4 -15.5 -26.7 44 45 A L E - 0 0 82 8,-4.6 2,-0.3 1,-0.5 9,-0.2 0.737 61.3 -46.4-101.2 -32.5 -30.6 -15.6 -26.6 45 46 A G E -A 52 0A 36 7,-1.9 7,-4.0 2,-0.0 -1,-0.5 -0.940 50.3-129.5 174.3 169.9 -30.2 -16.8 -23.0 46 47 A R E +A 51 0A 182 5,-0.3 5,-0.3 -2,-0.3 2,-0.2 -0.998 18.9 179.1-144.3 146.9 -31.4 -16.3 -19.5 47 48 A G E > -A 50 0A 34 3,-5.4 3,-0.5 -2,-0.3 -2,-0.0 -0.788 48.4 -90.6-136.8 179.7 -29.8 -15.9 -16.0 48 49 A K T 3 S+ 0 0 189 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.733 129.0 38.7 -65.1 -21.8 -30.6 -15.3 -12.4 49 50 A Y T 3 S- 0 0 104 1,-0.2 21,-2.4 20,-0.1 2,-0.3 0.487 128.6 -22.1-106.5 -6.3 -30.5 -11.6 -13.1 50 51 A S E < -AB 47 69A 11 -3,-0.5 -3,-5.4 19,-0.3 2,-0.4 -0.987 49.7-113.0 176.5 174.8 -32.1 -11.5 -16.5 51 52 A E E -AB 46 68A 43 17,-1.9 17,-2.3 -5,-0.3 2,-0.4 -0.991 31.3-148.3-129.0 133.7 -33.2 -13.0 -19.8 52 53 A V E +AB 45 67A 36 -7,-4.0 -8,-4.6 -2,-0.4 -7,-1.9 -0.907 17.0 177.9-113.6 136.2 -31.7 -11.8 -23.0 53 54 A F E -AB 43 66A 22 13,-2.6 13,-2.5 -2,-0.4 2,-0.3 -0.883 31.4-118.4-131.3 161.5 -33.3 -11.7 -26.5 54 55 A E E +AB 42 65A 32 -12,-3.6 -13,-2.8 -2,-0.3 -12,-1.7 -0.711 47.0 172.1 -91.6 148.5 -32.6 -10.6 -30.0 55 56 A A E -AB 40 64A 0 9,-3.8 9,-3.2 -2,-0.3 2,-0.4 -0.922 29.3-123.3-150.4 177.5 -34.9 -7.8 -31.1 56 57 A I E -AB 39 63A 22 -17,-2.3 -17,-2.5 -2,-0.3 2,-1.1 -0.977 20.1-128.5-131.0 141.0 -35.7 -5.3 -33.7 57 58 A N E >>> -AB 38 62A 18 5,-3.1 4,-1.5 -2,-0.4 3,-1.2 -0.791 18.5-153.5 -88.9 103.1 -36.1 -1.5 -33.4 58 59 A I T 345S+ 0 0 73 -21,-1.5 -1,-0.2 -2,-1.1 -20,-0.1 0.662 88.2 66.3 -50.3 -17.3 -39.5 -1.0 -35.1 59 60 A T T 345S+ 0 0 90 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.892 124.3 2.3 -75.4 -42.0 -38.4 2.5 -35.9 60 61 A N T <45S- 0 0 84 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.1 0.105 94.4-111.2-134.6 23.1 -35.6 1.7 -38.4 61 62 A N T <5 + 0 0 134 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.714 64.7 156.9 53.5 21.7 -35.7 -2.1 -38.7 62 63 A E E < -B 57 0A 121 -5,-0.7 -5,-3.1 1,-0.1 2,-0.3 -0.575 43.5-121.3 -79.2 138.6 -32.3 -2.1 -36.9 63 64 A K E +B 56 0A 88 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.613 41.2 166.4 -81.3 140.6 -31.4 -5.3 -35.1 64 65 A V E -BC 55 113A 9 -9,-3.2 -9,-3.8 -2,-0.3 2,-0.4 -0.891 32.4-122.4-145.3 172.6 -30.8 -5.0 -31.3 65 66 A V E -BC 54 112A 21 47,-2.0 47,-2.6 -2,-0.3 2,-0.5 -0.987 21.2-155.0-124.9 129.9 -30.4 -7.1 -28.2 66 67 A V E -BC 53 111A 6 -13,-2.5 -13,-2.6 -2,-0.4 2,-0.7 -0.910 4.9-161.3-111.2 131.6 -32.7 -6.6 -25.1 67 68 A K E -BC 52 110A 13 43,-3.1 43,-2.6 -2,-0.5 2,-0.8 -0.894 10.4-161.8-110.4 99.9 -31.7 -7.5 -21.6 68 69 A I E -BC 51 109A 19 -17,-2.3 -17,-1.9 -2,-0.7 41,-0.2 -0.752 18.1-137.8 -86.8 114.7 -34.8 -7.8 -19.5 69 70 A L E -B 50 0A 8 39,-2.2 -19,-0.3 -2,-0.8 38,-0.1 -0.353 2.3-137.3 -75.9 150.0 -33.8 -7.6 -15.8 70 71 A K - 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0 0 83 -2,-1.8 6,-0.1 -3,-0.2 -3,-0.0 -0.988 56.8-136.8-129.4 136.1 -0.2 -16.0 -11.0 306 307 A Y S S+ 0 0 11 -2,-0.4 2,-1.0 1,-0.1 -106,-0.2 0.944 92.5 74.3 -52.2 -55.1 -1.6 -16.4 -7.4 307 308 A D S >> S- 0 0 27 1,-0.2 3,-1.2 -55,-0.1 4,-0.5 -0.494 72.0-159.3 -65.8 101.4 -0.3 -13.0 -6.3 308 309 A H G >4 S+ 0 0 1 -2,-1.0 3,-1.1 1,-0.3 -1,-0.2 0.844 89.0 60.7 -51.7 -35.9 -2.7 -10.7 -8.1 309 310 A Q G 34 S+ 0 0 53 1,-0.2 -1,-0.3 -3,-0.1 -300,-0.1 0.836 102.1 50.9 -62.7 -34.0 -0.1 -7.9 -7.7 310 311 A S G <4 S+ 0 0 45 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.487 87.2 107.2 -82.3 -5.0 2.5 -9.7 -9.8 311 312 A R S << S- 0 0 3 -3,-1.1 -8,-0.2 -4,-0.5 2,-0.1 -0.423 83.1 -98.4 -73.3 149.7 0.1 -10.4 -12.7 312 313 A L - 0 0 29 -10,-1.9 2,-0.1 -13,-0.2 -1,-0.1 -0.428 36.1-128.6 -68.1 143.7 0.6 -8.4 -15.9 313 314 A T > - 0 0 19 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.399 28.1-104.2 -83.7 170.6 -1.7 -5.4 -16.2 314 315 A A H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -170,-0.2 0.889 122.7 48.8 -64.4 -38.9 -3.7 -5.0 -19.4 315 316 A R H 4 S+ 0 0 124 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.877 113.7 46.4 -68.3 -38.4 -1.4 -2.3 -20.7 316 317 A E H >4 S+ 0 0 77 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.931 109.0 54.4 -70.1 -45.0 1.7 -4.4 -19.9 317 318 A A H >< S+ 0 0 0 -4,-2.7 3,-2.5 1,-0.3 6,-0.2 0.889 98.4 63.3 -55.6 -41.8 0.3 -7.5 -21.5 318 319 A M T 3< S+ 0 0 32 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.704 97.6 59.7 -57.6 -18.9 -0.4 -5.6 -24.7 319 320 A E T < S+ 0 0 136 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.384 78.9 119.6 -91.5 3.0 3.4 -5.2 -24.9 320 321 A H S X S- 0 0 16 -3,-2.5 3,-2.4 1,-0.1 4,-0.2 -0.455 73.7-123.0 -73.9 142.7 4.1 -8.9 -25.0 321 322 A P G > S+ 0 0 55 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.732 107.2 77.0 -51.3 -28.9 6.0 -10.4 -28.0 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 4,-0.3 1,-0.3 3,-0.2 0.827 101.0 41.5 -55.0 -29.4 3.0 -12.8 -28.4 323 324 A F G < S+ 0 0 2 -3,-2.4 -1,-0.3 -6,-0.2 5,-0.2 0.393 78.7 108.0-100.1 -0.3 1.3 -9.7 -29.9 324 325 A Y S < S+ 0 0 168 -3,-1.5 4,-0.4 -4,-0.2 -1,-0.1 0.887 87.2 40.3 -43.5 -49.7 4.0 -8.2 -32.1 325 326 A T > + 0 0 74 -4,-0.4 3,-1.0 -3,-0.2 -1,-0.2 0.977 68.6 124.5 -66.3 -61.4 2.3 -9.4 -35.3 326 327 A V T 3 S- 0 0 5 -4,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.435 93.2 -97.0 -8.0 71.0 -1.4 -8.7 -34.6 327 328 A V T 3 - 0 0 111 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.438 50.3-124.9 -3.9 59.7 -1.5 -6.6 -37.8 328 329 A K < - 0 0 81 -3,-1.0 3,-0.4 -4,-0.4 -1,-0.1 0.235 16.8-113.1 -23.8 125.1 -1.0 -3.4 -35.7 329 330 A D S S+ 0 0 137 1,-0.2 2,-0.9 -3,-0.2 -1,-0.1 0.829 72.6 127.6 -28.6 -75.0 -3.7 -0.9 -36.5 330 331 A Q 0 0 178 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.217 360.0 360.0 48.7 -91.2 -1.6 1.8 -38.2 331 332 A A 0 0 119 -2,-0.9 0, 0.0 -3,-0.4 0, 0.0 -0.246 360.0 360.0 -92.1 360.0 -3.7 2.0 -41.3