==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-SEP-12 4GYG . COMPND 2 MOLECULE: RIO2 KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHAETOMIUM THERMOPHILUM; . AUTHOR S.FERREIRA-CERCA,V.SAGAR,T.SCHAFER,M.DIOP,A.M.WESSELING,H.LU . 331 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.0 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 . 52 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 0.9 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 . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 32.6 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 0 0 1 1 0 1 0 0 0 1 1 1 0 1 0 0 1 0 0 0 1 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 . 1 3 0 1 3 0 2 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 . 2 2 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 K 0 0 137 0, 0.0 2,-0.7 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0-168.2 144.8 -29.1 33.2 2 3 A L - 0 0 26 72,-0.0 2,-0.8 2,-0.0 69,-0.0 -0.872 360.0-172.8-102.6 112.0 144.5 -25.8 35.0 3 4 A D + 0 0 93 -2,-0.7 3,-0.4 1,-0.1 4,-0.0 -0.868 7.9 177.1-102.3 102.8 146.1 -25.8 38.4 4 5 A T > + 0 0 39 -2,-0.8 3,-1.2 1,-0.2 4,-0.3 0.222 47.4 110.9 -92.1 16.1 145.3 -22.5 40.1 5 6 A R G > S+ 0 0 205 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.902 74.1 51.6 -55.4 -45.6 147.0 -23.5 43.4 6 7 A A G > S+ 0 0 29 -3,-0.4 3,-0.5 1,-0.2 4,-0.3 0.535 83.6 100.5 -72.8 -6.8 150.0 -21.1 43.1 7 8 A M G X S+ 0 0 39 -3,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.878 85.3 35.5 -46.9 -60.7 147.6 -18.1 42.5 8 9 A R G < S+ 0 0 216 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.719 108.6 69.4 -69.4 -20.8 147.6 -16.5 46.0 9 10 A H G < S+ 0 0 141 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.2 0.443 78.4 97.3 -84.2 2.1 151.2 -17.4 46.6 10 11 A L < - 0 0 15 -3,-1.2 2,-0.1 -4,-0.3 35,-0.0 -0.723 66.9-135.6 -94.9 142.2 152.5 -14.9 44.0 11 12 A T > - 0 0 73 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.271 27.5-103.9 -87.5 173.7 153.8 -11.5 45.0 12 13 A A H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.896 125.8 53.1 -64.7 -40.5 153.1 -8.1 43.3 13 14 A E H > S+ 0 0 85 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.904 107.1 52.5 -56.1 -46.5 156.6 -8.3 41.9 14 15 A D H > S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.947 109.4 48.3 -53.9 -51.2 155.7 -11.7 40.5 15 16 A W H X S+ 0 0 29 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.837 113.4 49.0 -61.6 -32.8 152.6 -10.3 38.9 16 17 A R H X S+ 0 0 180 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.911 113.5 44.5 -69.7 -44.0 154.7 -7.5 37.5 17 18 A V H X S+ 0 0 4 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.896 112.6 50.5 -72.3 -40.4 157.4 -9.8 36.1 18 19 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.885 110.2 51.3 -60.9 -40.5 154.9 -12.3 34.6 19 20 A T H X S+ 0 0 41 -4,-1.3 4,-2.6 -5,-0.3 -2,-0.2 0.870 108.1 53.5 -63.7 -36.1 153.2 -9.3 32.9 20 21 A A H X S+ 0 0 3 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.874 104.7 52.8 -66.7 -39.0 156.6 -8.3 31.6 21 22 A V H X S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 47,-0.2 0.918 111.1 49.2 -61.5 -39.8 157.2 -11.7 30.1 22 23 A E H >< S+ 0 0 34 -4,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.963 113.7 42.7 -63.9 -55.1 153.8 -11.3 28.3 23 24 A M H >< S+ 0 0 81 -4,-2.6 3,-2.3 1,-0.3 4,-0.4 0.928 110.4 58.2 -58.0 -46.3 154.4 -7.8 27.0 24 25 A G H >X S+ 0 0 5 -4,-3.1 4,-1.2 1,-0.3 3,-0.5 0.716 101.6 57.1 -54.7 -23.1 158.0 -8.9 26.0 25 26 A S T << S+ 0 0 40 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.223 79.5 86.4 -98.3 16.7 156.4 -11.6 23.9 26 27 A K T <4 S+ 0 0 166 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.2 0.772 111.1 19.0 -73.5 -28.5 154.3 -9.2 21.8 27 28 A N T <4 S+ 0 0 81 -3,-0.5 2,-0.4 -4,-0.4 -2,-0.2 0.841 134.0 25.9-105.1 -65.7 157.5 -8.9 19.7 28 29 A H < - 0 0 130 -4,-1.2 -1,-0.3 1,-0.1 3,-0.1 -0.863 61.3-147.5-106.6 141.1 159.7 -12.0 20.3 29 30 A E S S+ 0 0 70 -2,-0.4 2,-0.8 1,-0.2 39,-0.4 0.894 93.4 53.2 -73.9 -40.6 158.5 -15.3 21.5 30 31 A I S S- 0 0 38 37,-0.1 37,-0.2 -6,-0.0 34,-0.2 -0.854 85.2-155.1 -96.9 104.8 161.6 -16.2 23.5 31 32 A V B -A 66 0A 0 35,-1.7 35,-3.4 -2,-0.8 27,-0.1 -0.689 10.0-129.6 -90.6 119.1 162.1 -13.2 25.8 32 33 A P >> - 0 0 48 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.335 20.3-115.7 -66.8 146.3 165.6 -12.5 27.1 33 34 A T H 3> S+ 0 0 34 1,-0.2 4,-1.4 31,-0.2 3,-0.1 0.852 115.1 52.8 -43.6 -46.7 166.3 -11.9 30.8 34 35 A P H 3> S+ 0 0 87 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.818 105.3 54.5 -67.2 -28.3 167.4 -8.3 30.2 35 36 A L H <> S+ 0 0 55 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.865 103.2 54.9 -72.0 -36.2 164.2 -7.5 28.3 36 37 A I H < S+ 0 0 5 -4,-1.6 -1,-0.2 2,-0.2 -3,-0.1 0.902 107.2 54.7 -56.2 -41.0 162.0 -8.7 31.2 37 38 A E H < S+ 0 0 102 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.954 106.8 46.4 -59.3 -56.2 164.0 -6.2 33.3 38 39 A K H < 0 0 188 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.888 360.0 360.0 -52.9 -43.7 163.4 -3.2 31.1 39 40 A I < 0 0 58 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.934 360.0 360.0 -80.7 360.0 159.7 -4.1 31.0 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 49 A G 0 0 106 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 101.0 166.1 -7.6 41.0 42 50 A V > + 0 0 25 2,-0.1 4,-1.8 1,-0.1 5,-0.1 0.157 360.0 97.8-118.3 10.7 163.4 -9.5 39.2 43 51 A H H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.827 78.5 54.9 -68.0 -36.2 165.5 -12.7 39.2 44 52 A K H > S+ 0 0 182 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.826 108.0 51.4 -70.0 -28.8 163.7 -14.2 42.2 45 53 A S H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.895 105.0 54.1 -70.6 -43.7 160.4 -13.6 40.4 46 54 A I H X S+ 0 0 9 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.900 110.1 49.6 -57.7 -39.1 161.7 -15.5 37.3 47 55 A A H X S+ 0 0 62 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.908 111.9 46.3 -65.3 -44.9 162.5 -18.4 39.6 48 56 A T H X S+ 0 0 63 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.962 115.4 45.9 -62.2 -51.3 159.1 -18.5 41.3 49 57 A L H <>S+ 0 0 0 -4,-2.8 5,-3.4 1,-0.2 6,-1.1 0.843 112.8 51.0 -62.4 -36.3 157.2 -18.2 38.0 50 58 A A H ><5S+ 0 0 36 -4,-2.0 3,-0.9 -5,-0.3 -1,-0.2 0.895 110.6 46.9 -70.6 -41.6 159.4 -20.9 36.3 51 59 A K H 3<5S+ 0 0 191 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.891 110.9 53.4 -66.3 -38.0 158.9 -23.4 39.1 52 60 A A T 3<5S- 0 0 41 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.518 115.8-121.1 -72.7 -4.1 155.2 -22.7 39.1 53 61 A G T < 5S+ 0 0 36 -3,-0.9 19,-0.3 2,-0.2 18,-0.3 0.816 79.1 123.8 67.4 29.9 155.3 -23.4 35.4 54 62 A L S - 0 0 15 -15,-1.9 4,-1.7 -2,-0.3 5,-0.2 -0.606 22.7-109.6 -90.3 162.6 153.4 -20.7 29.1 70 78 A Y H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.888 121.6 55.1 -52.5 -43.7 149.7 -21.4 28.7 71 79 A G H > S+ 0 0 20 -18,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.895 106.1 51.6 -56.8 -41.9 149.4 -21.6 32.5 72 80 A G H > S+ 0 0 0 -18,-0.3 4,-2.2 -19,-0.3 -1,-0.2 0.839 108.7 49.3 -65.0 -37.9 151.0 -18.2 32.7 73 81 A L H X S+ 0 0 10 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.903 111.3 51.1 -68.4 -41.7 148.5 -16.7 30.2 74 82 A D H X S+ 0 0 6 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.946 110.3 49.0 -54.0 -51.3 145.7 -18.3 32.3 75 83 A Y H X S+ 0 0 6 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.923 110.3 49.2 -59.4 -49.1 147.0 -16.8 35.5 76 84 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.835 111.9 50.1 -60.7 -36.6 147.4 -13.2 34.1 77 85 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.957 113.4 45.7 -64.1 -48.7 143.8 -13.5 32.8 78 86 A L H X S+ 0 0 9 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.915 110.4 53.3 -60.5 -46.8 142.5 -14.6 36.2 79 87 A H H X S+ 0 0 60 -4,-3.2 4,-3.3 2,-0.2 -1,-0.2 0.886 108.2 50.3 -55.2 -42.1 144.5 -11.9 38.0 80 88 A T H X S+ 0 0 21 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.928 111.0 49.0 -63.7 -45.6 142.9 -9.3 35.8 81 89 A H H <>S+ 0 0 2 -4,-2.3 5,-2.5 2,-0.2 6,-1.9 0.809 113.9 47.6 -60.2 -33.4 139.5 -10.7 36.5 82 90 A A H ><5S+ 0 0 43 -4,-2.3 3,-2.7 3,-0.2 -2,-0.2 0.966 108.7 52.2 -70.5 -54.5 140.4 -10.7 40.2 83 91 A A H 3<5S+ 0 0 62 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.808 111.6 47.4 -50.1 -36.8 141.7 -7.1 40.2 84 92 A R T 3<5S- 0 0 172 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.307 113.2-122.5 -91.1 10.1 138.5 -5.9 38.6 85 93 A K T < 5S+ 0 0 141 -3,-2.7 23,-0.4 2,-0.2 -3,-0.2 0.735 80.3 119.6 55.8 29.1 136.5 -7.9 41.2 86 94 A D S - 0 0 22 4,-2.1 3,-1.7 -2,-0.4 -21,-0.1 -0.222 42.3 -91.2 -81.8-178.0 132.5 -13.0 42.8 108 116 A E T 3 S+ 0 0 131 -23,-0.4 -1,-0.1 1,-0.3 -22,-0.1 0.781 126.5 59.4 -68.7 -25.9 132.9 -11.5 46.3 109 117 A K T 3 S- 0 0 199 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.408 121.0-108.1 -81.4 4.7 129.1 -11.3 46.7 110 118 A G < + 0 0 54 -3,-1.7 2,-0.5 1,-0.3 -2,-0.1 0.530 68.8 148.3 84.6 5.7 128.9 -15.1 46.2 111 119 A K - 0 0 103 1,-0.0 -4,-2.1 -5,-0.0 -1,-0.3 -0.648 43.1-133.5 -79.4 122.1 127.4 -14.9 42.8 112 120 A Q E +D 106 0B 119 -2,-0.5 70,-0.6 -6,-0.2 -6,-0.3 -0.539 32.4 168.5 -79.4 136.9 128.4 -17.9 40.6 113 121 A K E -DE 105 181B 16 -8,-2.8 -8,-2.6 -2,-0.2 2,-0.5 -0.839 31.9-103.2-139.2 176.0 129.6 -17.2 37.0 114 122 A V E -DE 104 180B 15 66,-3.1 66,-2.4 -2,-0.3 2,-0.6 -0.900 18.0-163.6-112.0 131.0 131.3 -19.0 34.1 115 123 A L E -DE 103 179B 2 -12,-2.6 -12,-2.5 -2,-0.5 2,-0.5 -0.966 12.6-166.0-109.9 112.6 134.9 -18.5 33.0 116 124 A K E -DE 102 178B 10 62,-3.3 62,-1.9 -2,-0.6 2,-0.5 -0.880 0.3-163.5-101.5 130.3 135.4 -19.8 29.5 117 125 A I E -DE 101 177B 2 -16,-2.8 -16,-2.7 -2,-0.5 60,-0.2 -0.968 14.9-134.8-116.8 120.6 139.0 -20.3 28.3 118 126 A H E -D 100 0B 5 58,-2.7 -18,-0.2 -2,-0.5 28,-0.1 -0.470 20.5-178.3 -73.0 145.0 139.7 -20.7 24.6 119 127 A R > + 0 0 10 -20,-2.2 3,-1.9 -2,-0.1 -19,-0.2 -0.278 8.8 172.6-142.6 41.3 142.1 -23.5 23.7 120 128 A L T 3 S+ 0 0 7 1,-0.3 26,-0.2 22,-0.2 -21,-0.1 -0.358 70.0 33.4 -56.6 136.3 142.6 -23.3 20.0 121 129 A G T 3 S+ 0 0 2 1,-0.3 13,-3.1 204,-0.1 -1,-0.3 0.287 82.5 149.9 98.6 -7.7 145.3 -25.7 18.9 122 130 A R E < +G 133 0C 43 -3,-1.9 2,-0.3 11,-0.2 -1,-0.3 -0.284 15.2 169.4 -58.4 136.0 144.5 -28.3 21.6 123 131 A I E -G 132 0C 55 9,-2.9 9,-0.8 2,-0.0 2,-0.4 -0.988 20.5-149.1-144.7 141.9 145.3 -31.9 20.6 124 132 A S - 0 0 68 -2,-0.3 2,-0.4 7,-0.2 9,-0.0 -0.947 11.2-145.0-113.2 141.5 145.3 -35.1 22.8 125 133 A F - 0 0 122 -2,-0.4 2,-0.5 0, 0.0 -2,-0.0 -0.852 5.4-156.6-106.4 137.7 147.6 -38.0 22.2 126 134 A R - 0 0 197 -2,-0.4 -2,-0.0 1,-0.0 0, 0.0 -0.951 24.8-117.4-116.5 125.0 146.6 -41.7 22.8 127 135 A T - 0 0 129 -2,-0.5 -1,-0.0 1,-0.1 0, 0.0 -0.122 17.1-161.8 -62.3 155.8 149.3 -44.3 23.4 128 136 A V 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.668 360.0 360.0-112.9 -26.1 149.6 -47.1 20.9 129 137 A K 0 0 133 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.496 360.0 360.0 32.7 360.0 151.7 -49.7 22.9 130 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 131 140 A R 0 0 76 0, 0.0 -7,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0-101.7 146.7 -33.0 26.3 132 141 A D E -G 123 0C 71 -9,-0.8 -9,-2.9 -10,-0.1 2,-0.4 0.005 360.0-101.3 -97.6-164.2 149.2 -31.0 24.2 133 142 A Y E -G 122 0C 31 -11,-0.3 2,-0.3 4,-0.0 -11,-0.2 -0.960 39.4 -94.7-127.7 145.1 149.0 -28.4 21.4 134 143 A L > - 0 0 67 -13,-3.1 3,-1.0 -2,-0.4 8,-0.1 -0.409 30.3-149.8 -62.4 117.5 149.5 -28.8 17.7 135 144 A R T 3 S+ 0 0 205 -2,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.306 77.5 94.0 -75.2 7.2 153.1 -27.9 16.9 136 145 A N T 3 S+ 0 0 96 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.538 93.5 40.1 -76.9 -4.5 152.5 -26.6 13.4 137 146 A R S < S- 0 0 61 -3,-1.0 -4,-0.0 -16,-0.1 2,-0.0 -0.968 95.5-105.0-134.0 152.5 152.2 -23.1 15.0 138 147 A S > - 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