==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-NOV-02 1NA7 . COMPND 2 MOLECULE: CASEIN KINASE II, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.PECHKOVA,G.ZANOTTI,C.NICOLINI . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 64.1 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 . 37 11.3 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 . 1 0.3 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 . 31 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 25.8 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 4 1 0 0 0 1 1 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 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 2 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 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 4 A P 0 0 140 0, 0.0 258,-0.2 0, 0.0 259,-0.1 0.000 360.0 360.0 360.0 71.1 -1.2 -19.8 27.5 2 5 A V - 0 0 49 256,-1.7 2,-0.1 1,-0.1 256,-0.0 -0.183 360.0-128.9 -51.2 132.0 -2.6 -20.2 24.0 3 6 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.341 25.4-171.7 -80.1 163.4 0.1 -20.1 21.2 4 7 A S - 0 0 10 201,-0.1 178,-0.6 -2,-0.1 2,-0.3 -0.955 8.2-155.3-149.8 165.5 -0.0 -17.9 18.1 5 8 A R - 0 0 144 -2,-0.3 2,-0.2 176,-0.1 202,-0.1 -0.928 33.8 -89.5-141.5 161.8 1.9 -17.5 14.9 6 9 A A - 0 0 2 -2,-0.3 4,-0.1 4,-0.2 301,-0.1 -0.516 25.3-143.3 -73.6 142.7 2.4 -14.6 12.4 7 10 A R S S+ 0 0 183 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.561 84.9 41.7 -84.5 -6.7 -0.2 -14.5 9.6 8 11 A V S S+ 0 0 47 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.970 120.1 8.3-138.2 152.3 2.5 -13.4 7.1 9 12 A Y S > S+ 0 0 65 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 0.840 78.9 160.9 45.9 36.7 6.1 -14.5 6.4 10 13 A T T 3 S+ 0 0 19 1,-0.2 -4,-0.2 -4,-0.1 3,-0.2 0.881 70.7 13.3 -53.3 -50.0 5.3 -17.2 8.9 11 14 A D T 3> S+ 0 0 72 1,-0.1 4,-1.2 169,-0.1 5,-0.2 0.067 81.1 125.1-121.9 27.1 8.1 -19.6 7.9 12 15 A V H <> S+ 0 0 33 -3,-0.6 4,-1.1 1,-0.2 3,-0.2 0.854 84.8 43.4 -53.2 -36.8 10.4 -17.5 5.7 13 16 A N H 4 S+ 0 0 0 166,-0.4 -1,-0.2 -4,-0.3 8,-0.2 0.862 103.3 65.0 -76.7 -37.7 13.3 -18.4 8.0 14 17 A T H 4 S+ 0 0 87 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.742 108.7 39.7 -58.0 -26.8 12.4 -22.1 8.4 15 18 A H H < S+ 0 0 150 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.813 98.9 88.3 -93.9 -33.0 13.1 -22.7 4.7 16 19 A R S < S- 0 0 92 -4,-1.1 5,-0.1 -5,-0.2 -3,-0.0 -0.111 93.5 -79.7 -61.2 161.0 16.2 -20.5 4.2 17 20 A P >> - 0 0 91 0, 0.0 3,-1.0 0, 0.0 4,-0.7 -0.139 37.2-117.4 -59.0 159.6 19.7 -21.9 4.9 18 21 A R H 3> S+ 0 0 164 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.821 113.9 64.9 -70.0 -30.1 20.9 -22.2 8.5 19 22 A E H 34 S+ 0 0 138 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.665 94.8 63.7 -66.7 -14.2 23.7 -19.7 7.8 20 23 A Y H <4 S+ 0 0 23 -3,-1.0 -1,-0.2 -7,-0.1 -2,-0.2 0.933 119.0 16.2 -75.1 -48.9 21.0 -17.1 7.1 21 24 A W H < S+ 0 0 74 -4,-0.7 2,-1.5 -3,-0.3 -2,-0.2 0.606 102.2 90.1-102.8 -15.8 19.4 -17.0 10.6 22 25 A D >< + 0 0 38 -4,-2.4 3,-0.8 1,-0.2 -1,-0.1 -0.643 45.0 167.2 -86.8 85.6 22.1 -18.6 12.8 23 26 A Y G > + 0 0 44 -2,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.635 65.0 73.5 -73.0 -17.0 24.1 -15.5 13.7 24 27 A A G 3 S+ 0 0 47 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.837 99.7 44.4 -66.8 -32.9 26.0 -17.3 16.4 25 28 A S G < S+ 0 0 56 -3,-0.8 -1,-0.3 2,-0.1 2,-0.2 0.180 89.2 123.5 -97.2 16.7 28.0 -19.2 13.8 26 29 A H < - 0 0 17 -3,-1.2 2,-0.6 1,-0.0 -3,-0.1 -0.566 52.6-144.7 -82.1 141.1 28.6 -16.1 11.8 27 30 A V - 0 0 120 -2,-0.2 2,-0.6 49,-0.0 -2,-0.1 -0.925 12.9-135.9-109.7 121.1 32.2 -15.0 10.9 28 31 A V - 0 0 16 -2,-0.6 2,-1.1 1,-0.1 48,-0.0 -0.629 6.0-150.6 -79.9 117.3 33.0 -11.3 10.8 29 32 A E - 0 0 142 -2,-0.6 68,-0.2 69,-0.0 2,-0.1 -0.758 25.5-150.2 -86.5 101.8 35.1 -10.2 7.8 30 33 A W - 0 0 131 -2,-1.1 68,-0.2 66,-0.1 2,-0.2 -0.349 8.6-154.0 -76.1 154.2 36.9 -7.2 9.3 31 34 A G - 0 0 22 66,-2.0 2,-0.7 -2,-0.1 68,-0.4 -0.471 39.7 -64.5-113.2-172.3 38.1 -4.2 7.3 32 35 A N > - 0 0 97 -2,-0.2 3,-1.8 1,-0.2 4,-0.1 -0.699 32.6-161.7 -88.0 113.9 40.8 -1.6 8.0 33 36 A Q G > S+ 0 0 76 -2,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.787 85.9 71.5 -56.6 -32.8 40.3 0.5 11.0 34 37 A D G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.543 81.5 72.9 -66.2 -7.0 42.8 3.0 9.7 35 38 A D G < S+ 0 0 39 -3,-1.8 21,-1.7 20,-0.1 22,-0.5 0.574 88.5 71.9 -84.8 -7.9 40.4 4.2 7.0 36 39 A Y E < -A 55 0A 29 -3,-1.6 2,-0.5 19,-0.2 19,-0.2 -0.920 56.4-170.7-117.6 134.1 38.1 6.0 9.5 37 40 A Q E -A 54 0A 129 17,-2.0 17,-1.1 -2,-0.4 2,-0.1 -0.973 24.8-130.9-122.0 115.4 38.8 9.3 11.4 38 41 A L E -A 53 0A 82 -2,-0.5 2,-0.4 15,-0.2 15,-0.3 -0.370 17.5-166.4 -69.5 139.8 36.3 10.2 14.1 39 42 A V E -A 52 0A 66 13,-4.1 13,-1.1 1,-0.2 -1,-0.0 -0.992 55.3 -44.2-127.9 120.4 34.8 13.7 14.2 40 43 A R E S- 0 0 163 -2,-0.4 12,-0.4 11,-0.1 2,-0.4 0.138 74.8 -87.3 46.7-169.4 33.0 14.7 17.4 41 44 A K E + 0 0 97 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.980 35.6 179.4-140.3 123.9 30.6 12.4 19.2 42 45 A L E + 0 0 83 8,-1.9 2,-0.2 -2,-0.4 9,-0.2 0.957 62.3 18.9 -88.8 -65.3 26.8 12.0 18.4 43 46 A G E -A 50 0A 24 7,-0.9 7,-1.7 2,-0.0 -1,-0.2 -0.659 40.8-168.5-111.2 167.2 25.2 9.4 20.6 44 47 A R E +A 49 0A 158 -2,-0.2 5,-0.2 5,-0.2 -3,-0.0 -0.633 18.0 175.1-151.6 76.3 26.0 7.6 23.9 45 48 A G - 0 0 43 3,-0.8 4,-0.2 -2,-0.1 -1,-0.0 0.411 43.0-123.1 -72.2 -0.7 23.4 4.8 23.9 46 49 A K S S+ 0 0 161 2,-0.8 -1,-0.1 1,-0.1 3,-0.1 0.602 114.3 54.0 66.7 6.7 24.5 3.0 27.1 47 50 A Y S S- 0 0 131 1,-0.6 21,-1.8 22,-0.0 2,-0.3 0.281 125.1 -2.1-142.9 -11.6 24.8 0.0 24.6 48 51 A S E - B 0 67A 11 19,-0.3 -3,-0.8 21,-0.1 -2,-0.8 -0.957 64.3-121.0-167.5 175.8 27.0 1.7 22.2 49 52 A E E -AB 44 66A 40 17,-2.3 17,-2.8 -2,-0.3 2,-0.5 -0.999 25.6-151.6-133.9 129.1 28.8 5.0 21.4 50 53 A V E +AB 43 65A 32 -7,-1.7 -8,-1.9 -2,-0.4 -7,-0.9 -0.914 15.9 177.6-112.6 129.0 28.0 6.8 18.1 51 54 A F E - B 0 64A 30 13,-3.3 13,-2.7 -2,-0.5 2,-0.5 -0.901 30.2-127.9-127.7 155.6 30.4 9.1 16.2 52 55 A E E +AB 39 63A 16 -13,-1.1 -13,-4.1 -12,-0.4 11,-0.2 -0.858 45.4 165.9 -95.8 132.3 30.4 11.1 13.0 53 56 A A E -AB 38 62A 1 9,-3.2 9,-1.6 -2,-0.5 2,-0.4 -0.683 31.2-120.9-135.2-169.6 33.6 10.1 11.1 54 57 A I E -AB 37 61A 42 -17,-1.1 -17,-2.0 7,-0.2 2,-1.3 -0.990 14.7-133.4-144.4 130.3 35.2 10.3 7.7 55 58 A N E >>> -AB 36 60A 20 5,-3.1 3,-2.0 -2,-0.4 4,-1.6 -0.722 20.3-162.2 -82.9 97.3 36.4 7.6 5.4 56 59 A I T 345S+ 0 0 70 -21,-1.7 -1,-0.2 -2,-1.3 -20,-0.1 0.442 81.8 73.3 -63.3 1.7 39.8 9.1 4.6 57 60 A T T 345S+ 0 0 91 -22,-0.5 -1,-0.3 3,-0.1 -21,-0.1 0.774 124.4 3.7 -84.3 -28.8 39.9 6.9 1.5 58 61 A N T <45S- 0 0 72 -3,-2.0 -2,-0.2 2,-0.1 -1,-0.1 0.199 99.7-116.9-138.4 9.0 37.3 9.0 -0.3 59 62 A N T <5 + 0 0 122 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.932 64.7 146.6 48.8 54.3 36.8 11.8 2.2 60 63 A E E < -B 55 0A 119 -5,-1.1 -5,-3.1 51,-0.0 -1,-0.2 -0.918 51.6-103.7-122.1 148.3 33.2 10.9 2.8 61 64 A K E +B 54 0A 114 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.380 43.0 167.5 -69.9 144.5 31.0 11.1 5.9 62 65 A V E -B 53 0A 10 -9,-1.6 -9,-3.2 -2,-0.1 2,-0.5 -0.957 31.3-126.5-150.0 163.1 30.2 8.0 7.9 63 66 A V E -BC 52 110A 28 47,-1.4 47,-2.8 48,-0.7 2,-0.5 -0.974 21.8-159.3-118.6 124.8 28.7 7.1 11.2 64 67 A V E -BC 51 109A 6 -13,-2.7 -13,-3.3 -2,-0.5 2,-0.6 -0.893 4.4-165.2-108.1 137.3 30.6 4.8 13.4 65 68 A K E -BC 50 108A 17 43,-2.4 43,-2.7 -2,-0.5 2,-0.7 -0.959 3.9-163.4-121.3 105.3 28.9 2.9 16.2 66 69 A I E -BC 49 107A 5 -17,-2.8 -17,-2.3 -2,-0.6 2,-0.2 -0.858 21.8-137.6 -91.1 119.3 31.4 1.4 18.6 67 70 A L E -B 48 0A 16 39,-2.0 -19,-0.3 -2,-0.7 38,-0.1 -0.542 10.8-119.8 -81.5 140.8 29.5 -1.2 20.6 68 71 A K - 0 0 114 -21,-1.8 2,-3.0 -2,-0.2 -1,-0.1 -0.536 38.8 -98.6 -76.2 148.3 29.8 -1.6 24.3 69 72 A P S S+ 0 0 89 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.191 74.6 133.3 -63.9 51.4 31.1 -5.0 25.4 70 73 A V S S- 0 0 55 -2,-3.0 4,-0.2 -23,-0.2 -2,-0.1 -0.749 74.9 -32.1-106.6 87.3 27.8 -6.6 26.3 71 74 A K >> - 0 0 126 -2,-0.8 3,-3.3 2,-0.1 4,-1.3 0.997 44.6-132.8 77.9 89.6 27.6 -10.1 24.8 72 75 A K H 3> S+ 0 0 134 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.692 108.2 65.2 -37.7 -24.4 29.3 -11.2 21.5 73 76 A N H 3> S+ 0 0 80 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.831 100.6 44.6 -73.3 -34.7 25.9 -12.8 20.8 74 77 A K H <> S+ 0 0 41 -3,-3.3 4,-1.3 -4,-0.2 -2,-0.2 0.781 113.7 53.1 -79.8 -24.4 24.0 -9.5 20.7 75 78 A I H X S+ 0 0 33 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.855 111.3 40.9 -80.1 -34.5 26.7 -8.0 18.5 76 79 A K H X S+ 0 0 24 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.665 109.5 61.3 -87.4 -12.6 26.8 -10.6 15.8 77 80 A R H X S+ 0 0 24 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.932 108.8 43.4 -71.9 -44.7 23.0 -10.9 15.8 78 81 A E H X S+ 0 0 4 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.894 113.0 51.7 -65.6 -41.7 22.9 -7.2 14.8 79 82 A I H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.854 110.7 47.3 -63.8 -39.5 25.7 -7.6 12.2 80 83 A K H X S+ 0 0 26 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.899 112.3 50.0 -70.1 -40.7 24.1 -10.5 10.5 81 84 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.923 110.1 50.4 -63.3 -45.0 20.7 -8.7 10.4 82 85 A L H < S+ 0 0 1 -4,-2.5 12,-0.4 1,-0.2 -1,-0.2 0.854 112.4 47.3 -62.1 -36.4 22.4 -5.6 8.9 83 86 A E H < S+ 0 0 33 -4,-1.6 3,-0.4 2,-0.2 -1,-0.2 0.815 109.9 52.4 -75.6 -31.6 24.0 -7.7 6.2 84 87 A N H < S+ 0 0 22 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.845 115.7 41.0 -71.3 -32.3 20.8 -9.6 5.4 85 88 A L S >< S+ 0 0 0 -4,-1.9 3,-2.6 -5,-0.2 -1,-0.2 0.326 81.8 136.6 -96.9 5.2 19.0 -6.2 4.9 86 89 A R T 3 S+ 0 0 110 -3,-0.4 7,-0.1 1,-0.3 -3,-0.1 -0.331 78.0 14.1 -53.3 124.6 21.9 -4.6 3.1 87 90 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 4,-0.2 3,-0.1 0.560 92.4 141.8 84.7 6.0 20.3 -2.7 0.2 88 91 A G X - 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0 0 16 -5,-3.6 2,-0.5 -6,-0.1 -1,-0.2 -0.755 31.4-149.7 -96.7 145.3 -3.3 -15.0 29.5 261 264 A E - 0 0 162 -2,-0.3 -5,-0.0 -60,-0.1 0, 0.0 -0.974 14.0-131.2-121.9 118.8 -3.7 -13.9 33.2 262 265 A L - 0 0 30 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.254 33.7-102.3 -59.9 153.7 -2.7 -10.4 34.2 263 266 A D > - 0 0 58 1,-0.1 3,-2.1 3,-0.0 -1,-0.1 -0.583 37.8-102.9 -81.1 147.1 -0.5 -10.3 37.3 264 267 A P G > S+ 0 0 107 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.721 117.5 59.3 -35.4 -43.8 -2.3 -9.3 40.5 265 268 A R G > S+ 0 0 137 1,-0.3 3,-1.1 2,-0.1 5,-0.2 0.846 94.3 66.3 -62.8 -31.7 -1.1 -5.7 40.7 266 269 A F G < S+ 0 0 5 -3,-2.1 -1,-0.3 1,-0.3 -4,-0.1 0.291 95.8 63.6 -71.6 14.7 -2.6 -5.1 37.3 267 270 A N G < S+ 0 0 103 -3,-1.5 -1,-0.3 3,-0.1 -2,-0.1 -0.002 98.2 43.8-132.4 30.7 -5.9 -5.6 39.1 268 271 A D S < S+ 0 0 149 -3,-1.1 -2,-0.1 3,-0.0 -1,-0.1 0.013 121.4 37.6-159.1 22.9 -6.1 -2.8 41.6 269 272 A I S S+ 0 0 85 2,-0.1 -3,-0.1 -4,-0.1 -2,-0.1 0.324 99.7 74.2-148.6 -20.2 -5.0 0.0 39.3 270 273 A L + 0 0 1 -5,-0.2 2,-0.1 1,-0.1 -3,-0.1 0.972 68.3 170.8 -67.9 -56.3 -6.6 -1.0 36.0 271 274 A G - 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