==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-SEP-10 3OUV . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS H37RA; . AUTHOR D.M.PRIGOZHIN,T.Y.CHEN,T.ALBER . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 17.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 113 0, 0.0 56,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.3 21.2 32.2 38.2 2 3 A A - 0 0 68 53,-0.1 54,-2.7 1,-0.1 55,-0.3 -0.141 360.0-134.4 -59.2 154.8 24.8 31.4 37.2 3 4 A T E +A 55 0A 87 52,-0.3 2,-0.3 53,-0.1 -1,-0.1 -0.714 24.7 179.6-107.8 164.8 26.1 32.6 33.9 4 5 A K E -A 54 0A 93 50,-2.1 50,-2.3 -2,-0.3 2,-0.3 -0.970 33.3-102.9-164.0 145.9 28.1 30.4 31.5 5 6 A D E -A 53 0A 70 -2,-0.3 48,-0.2 48,-0.2 45,-0.1 -0.597 41.5-118.0 -74.5 133.4 29.7 30.7 28.1 6 7 A I - 0 0 1 46,-2.6 45,-2.9 -2,-0.3 46,-0.1 -0.562 31.7-124.7 -74.5 126.0 27.7 29.1 25.3 7 8 A P - 0 0 10 0, 0.0 2,-0.5 0, 0.0 45,-0.1 -0.329 20.2-109.6 -67.9 154.0 29.6 26.2 23.7 8 9 A D + 0 0 114 1,-0.1 37,-0.0 42,-0.1 0, 0.0 -0.740 41.9 167.3 -78.3 124.3 30.3 26.1 20.0 9 10 A V > + 0 0 2 -2,-0.5 3,-1.9 3,-0.1 34,-0.3 0.136 17.4 147.1-126.6 17.4 28.1 23.3 18.6 10 11 A A T 3 S+ 0 0 37 1,-0.2 34,-0.2 34,-0.1 3,-0.1 -0.314 72.1 18.2 -54.0 133.8 28.4 24.0 14.9 11 12 A G T 3 S+ 0 0 22 32,-3.1 -1,-0.2 1,-0.3 2,-0.1 0.161 97.7 119.7 90.8 -17.9 28.4 20.8 12.9 12 13 A Q < - 0 0 48 -3,-1.9 31,-3.4 31,-0.2 -1,-0.3 -0.473 69.1-110.5 -78.0 150.3 26.8 18.7 15.7 13 14 A T B > -B 42 0B 68 29,-0.2 4,-3.4 -2,-0.1 5,-0.2 -0.374 34.2-107.6 -69.5 162.1 23.5 17.0 15.3 14 15 A V H > S+ 0 0 27 27,-0.9 4,-2.2 1,-0.2 5,-0.2 0.869 120.8 53.5 -62.1 -37.8 20.7 18.4 17.4 15 16 A D H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.968 115.3 38.8 -57.6 -56.4 20.8 15.4 19.7 16 17 A V H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 112.9 56.0 -63.7 -44.1 24.6 15.8 20.3 17 18 A A H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.919 108.5 48.3 -56.1 -44.1 24.4 19.6 20.5 18 19 A Q H X S+ 0 0 57 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.891 108.5 53.0 -66.9 -40.2 21.8 19.5 23.3 19 20 A K H X S+ 0 0 121 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.900 111.9 45.9 -61.8 -39.0 23.8 17.0 25.3 20 21 A N H X S+ 0 0 61 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.851 111.3 52.5 -74.0 -30.8 26.9 19.3 25.1 21 22 A X H ><>S+ 0 0 0 -4,-2.2 5,-1.8 -5,-0.2 3,-0.9 0.892 105.1 56.6 -63.6 -41.5 24.7 22.3 26.0 22 23 A N H ><5S+ 0 0 77 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.802 96.1 63.9 -58.9 -33.1 23.4 20.4 29.0 23 24 A V H 3<5S+ 0 0 114 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.814 104.6 46.4 -64.2 -30.9 27.0 19.9 30.3 24 25 A Y T <<5S- 0 0 84 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.439 127.9-100.9 -87.7 -4.6 27.2 23.7 30.6 25 26 A G T < 5S+ 0 0 36 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.298 77.7 136.3 101.5 -8.0 23.8 23.8 32.4 26 27 A F < + 0 0 0 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.582 10.9 153.6 -75.5 129.3 21.7 24.9 29.4 27 28 A T + 0 0 89 29,-0.5 2,-0.6 -2,-0.4 -1,-0.1 0.488 46.3 85.6-130.3 -10.9 18.4 23.0 29.1 28 29 A K + 0 0 98 30,-0.5 32,-2.7 28,-0.3 2,-0.4 -0.872 54.2 168.5-105.3 117.0 16.0 25.4 27.3 29 30 A F E -c 60 0C 42 -2,-0.6 2,-0.3 30,-0.2 32,-0.2 -0.957 23.2-165.8-131.5 141.8 16.2 25.4 23.5 30 31 A S E -c 61 0C 52 30,-1.7 32,-3.1 -2,-0.4 2,-0.4 -0.811 21.0-149.9-110.1 163.8 14.2 26.8 20.5 31 32 A Q E +c 62 0C 112 -2,-0.3 2,-0.3 30,-0.2 32,-0.2 -0.997 17.2 177.0-141.3 142.8 14.9 25.6 17.0 32 33 A A E -c 63 0C 36 30,-2.0 32,-3.2 -2,-0.4 2,-0.3 -0.997 26.5-126.4-141.7 141.0 14.6 26.9 13.5 33 34 A S E -c 64 0C 86 -2,-0.3 2,-0.3 30,-0.2 32,-0.2 -0.702 29.5-179.1 -87.4 137.8 15.5 25.4 10.1 34 35 A V E -c 65 0C 38 30,-2.1 32,-1.9 -2,-0.3 33,-0.3 -0.983 32.9-109.5-134.8 143.9 17.9 27.3 7.8 35 36 A D + 0 0 125 -2,-0.3 30,-0.1 30,-0.2 3,-0.0 -0.517 54.6 153.1 -66.2 144.4 19.2 26.5 4.4 36 37 A S - 0 0 21 2,-0.2 4,-0.1 -2,-0.2 30,-0.0 -0.971 59.5-113.7-168.8 154.5 22.9 25.7 4.6 37 38 A P S S+ 0 0 140 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.648 89.8 99.7 -65.9 -19.8 25.8 23.8 3.0 38 39 A R S S- 0 0 96 1,-0.1 29,-0.5 4,-0.1 -2,-0.2 -0.440 92.2 -91.5 -71.5 143.9 25.8 21.6 6.1 39 40 A P > - 0 0 81 0, 0.0 3,-1.9 0, 0.0 26,-0.2 -0.222 57.1 -88.5 -47.8 140.0 24.1 18.2 5.9 40 41 A A T 3 S+ 0 0 73 1,-0.2 26,-0.2 26,-0.2 3,-0.1 -0.267 115.4 34.7 -52.1 135.3 20.5 18.4 7.0 41 42 A G T 3 S+ 0 0 32 24,-2.9 -27,-0.9 1,-0.4 2,-0.3 0.109 89.0 117.2 105.2 -19.6 20.2 17.9 10.8 42 43 A E B < S-B 13 0B 49 -3,-1.9 23,-3.1 -29,-0.2 -1,-0.4 -0.622 70.0-116.0 -84.9 138.5 23.4 19.6 11.7 43 44 A V E -D 64 0C 0 -31,-3.4 -32,-3.1 -34,-0.3 21,-0.3 -0.556 22.8-169.4 -68.8 129.6 23.4 22.8 13.8 44 45 A T E - 0 0 38 19,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.720 63.1 -55.2 -91.1 -25.5 24.8 25.7 11.8 45 46 A G E -D 63 0C 20 18,-1.0 18,-2.7 -36,-0.1 -1,-0.4 -0.947 56.1-103.3 167.8-177.2 25.1 27.9 14.9 46 47 A T E -D 62 0C 12 -2,-0.3 16,-0.2 16,-0.2 4,-0.2 -0.885 24.4-106.6-132.4 161.7 23.1 29.4 17.8 47 48 A N E S+D 61 0C 89 14,-2.1 14,-3.1 -2,-0.3 -2,-0.0 -0.958 116.0 37.9-130.3 114.0 21.4 32.5 19.0 48 49 A P S S- 0 0 31 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.492 116.7-122.1 -62.8 153.8 22.9 33.8 21.2 49 50 A P > - 0 0 73 0, 0.0 3,-1.8 0, 0.0 -43,-0.3 -0.273 33.1 -74.5 -75.2 161.5 26.1 32.7 19.3 50 51 A A T 3 S+ 0 0 45 1,-0.2 -42,-0.1 -4,-0.2 3,-0.1 -0.152 117.9 30.7 -50.0 139.4 28.9 30.5 20.7 51 52 A G T 3 S+ 0 0 59 -45,-2.9 2,-0.3 1,-0.3 -1,-0.2 0.304 85.1 129.7 91.2 -10.1 31.2 32.3 23.1 52 53 A T < - 0 0 48 -3,-1.8 -46,-2.6 -46,-0.1 2,-0.6 -0.611 56.5-133.9 -75.5 136.5 28.4 34.6 24.5 53 54 A T E +A 5 0A 91 -2,-0.3 -48,-0.2 -48,-0.2 -1,-0.0 -0.838 40.8 156.3 -90.7 119.1 28.2 34.6 28.3 54 55 A V E -A 4 0A 15 -50,-2.3 -50,-2.1 -2,-0.6 2,-0.1 -0.914 49.7 -84.9-137.1 162.0 24.5 34.3 29.4 55 56 A P E > -A 3 0A 51 0, 0.0 3,-2.1 0, 0.0 -52,-0.3 -0.480 40.9-122.0 -66.4 144.5 22.6 33.1 32.4 56 57 A V T 3 S+ 0 0 30 -54,-2.7 -29,-0.5 1,-0.3 -28,-0.3 0.606 110.8 65.4 -68.0 -8.4 22.0 29.3 32.2 57 58 A D T 3 S+ 0 0 81 -55,-0.3 -1,-0.3 -31,-0.1 2,-0.1 0.364 79.6 119.0 -88.6 6.8 18.3 29.9 32.4 58 59 A S S < S- 0 0 28 -3,-2.1 2,-0.5 1,-0.1 -30,-0.5 -0.421 70.6-119.6 -71.2 143.5 18.5 31.6 28.9 59 60 A V - 0 0 84 -2,-0.1 2,-0.5 -32,-0.1 -30,-0.2 -0.750 29.0-155.5 -81.0 128.7 16.7 30.1 26.0 60 61 A I E -c 29 0C 0 -32,-2.7 -30,-1.7 -2,-0.5 2,-0.5 -0.928 5.1-142.5-110.0 121.9 19.2 29.2 23.3 61 62 A E E -cD 30 47C 47 -14,-3.1 -14,-2.1 -2,-0.5 2,-0.6 -0.719 8.9-152.7 -84.0 127.8 18.0 29.0 19.7 62 63 A L E -cD 31 46C 0 -32,-3.1 -30,-2.0 -2,-0.5 2,-0.6 -0.889 5.6-150.6 -98.3 118.1 19.6 26.2 17.6 63 64 A Q E -cD 32 45C 61 -18,-2.7 -19,-3.0 -2,-0.6 -18,-1.0 -0.819 20.0-160.0 -89.2 121.0 19.7 27.0 13.9 64 65 A V E -cD 33 43C 15 -32,-3.2 -30,-2.1 -2,-0.6 -21,-0.2 -0.888 13.8-122.3-117.8 120.2 19.5 23.7 12.1 65 66 A S E -c 34 0C 3 -23,-3.1 -24,-2.9 -2,-0.5 -30,-0.2 -0.255 21.1-178.6 -55.8 136.6 20.5 22.9 8.6 66 67 A K 0 0 120 -32,-1.9 -26,-0.2 -26,-0.2 -1,-0.1 -0.014 360.0 360.0-114.7 24.2 17.9 21.6 6.2 67 68 A G 0 0 60 -29,-0.5 -32,-0.2 -33,-0.3 -2,-0.1 0.499 360.0 360.0 80.5 360.0 20.6 21.4 3.5