==== 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 22-MAY-03 1PEY . COMPND 2 MOLECULE: SPORULATION INITIATION PHOSPHOTRANSFERASE F; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.MUKHOPADHYAY,U.SEN,J.ZAPF,K.I.VARUGHESE . 359 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 33 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 3 0 9 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 8 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 3 A N 0 0 170 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 85.2 11.6 15.7 48.9 2 4 A E - 0 0 50 23,-0.2 25,-3.4 117,-0.1 2,-0.4 -0.535 360.0-144.8 -76.3 130.8 8.4 13.5 48.2 3 5 A K E +a 27 0A 37 -2,-0.3 45,-2.0 23,-0.2 44,-1.1 -0.793 18.0 179.7-106.1 134.7 4.9 15.1 48.5 4 6 A I E -ab 28 48A 0 23,-2.5 25,-1.7 -2,-0.4 2,-0.5 -0.993 12.3-156.5-126.7 129.2 1.6 13.6 49.7 5 7 A L E -ab 29 49A 0 43,-2.9 45,-2.7 -2,-0.4 2,-0.6 -0.922 7.2-154.3-107.4 127.1 -1.7 15.5 49.9 6 8 A I E -ab 30 50A 0 23,-3.1 25,-2.1 -2,-0.5 2,-0.6 -0.887 9.7-171.7-103.8 114.1 -4.3 14.3 52.3 7 9 A V E +ab 31 51A 0 43,-3.0 45,-2.5 -2,-0.6 2,-0.3 -0.910 27.2 130.8-110.4 112.6 -7.9 15.2 51.4 8 10 A D - 0 0 0 23,-2.1 25,-0.1 -2,-0.6 6,-0.1 -0.918 49.7-142.4-161.0 131.7 -10.6 14.4 54.1 9 11 A D S S+ 0 0 55 -2,-0.3 2,-0.8 45,-0.2 23,-0.1 0.658 83.7 83.4 -72.1 -16.2 -13.4 16.5 55.6 10 12 A Q > - 0 0 112 1,-0.2 4,-3.0 2,-0.0 5,-0.2 -0.812 65.6-158.1 -98.6 107.2 -12.9 15.0 59.0 11 13 A S H > S+ 0 0 64 -2,-0.8 4,-2.5 1,-0.2 5,-0.3 0.778 88.6 57.8 -46.8 -41.2 -10.1 16.7 61.0 12 14 A G H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.989 115.0 34.5 -57.3 -61.0 -9.5 13.8 63.3 13 15 A I H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 117.1 54.4 -61.4 -43.0 -8.7 11.3 60.5 14 16 A R H X S+ 0 0 32 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.928 111.7 43.9 -59.7 -46.8 -7.0 13.9 58.3 15 17 A I H X S+ 0 0 97 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.849 111.4 56.1 -65.4 -37.2 -4.6 14.9 61.0 16 18 A L H X S+ 0 0 87 -4,-2.0 4,-1.9 -5,-0.3 3,-0.2 0.981 111.5 41.0 -57.9 -59.7 -4.0 11.3 61.9 17 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.876 110.4 58.2 -57.0 -44.1 -3.0 10.3 58.4 18 20 A N H X S+ 0 0 22 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.913 108.8 45.8 -54.2 -45.1 -0.9 13.5 57.9 19 21 A E H X S+ 0 0 85 -4,-2.0 4,-2.7 -3,-0.2 -1,-0.2 0.876 106.7 59.3 -66.3 -40.8 1.2 12.6 60.9 20 22 A V H X S+ 0 0 24 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.923 114.8 34.9 -54.1 -48.8 1.6 9.0 59.8 21 23 A F H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 4,-0.5 0.732 112.8 59.3 -82.2 -20.9 3.2 10.0 56.6 22 24 A N H ><5S+ 0 0 78 -4,-1.7 3,-1.1 -5,-0.3 -2,-0.2 0.914 105.7 49.6 -71.3 -40.5 5.0 13.0 58.1 23 25 A K H 3<5S+ 0 0 168 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.766 105.0 60.4 -64.9 -28.6 6.8 10.6 60.5 24 26 A E T 3<5S- 0 0 64 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.640 123.7-104.2 -74.5 -18.4 7.7 8.5 57.5 25 27 A G T < 5S+ 0 0 51 -3,-1.1 -23,-0.2 -4,-0.5 -3,-0.2 0.403 74.9 134.0 110.4 -2.4 9.6 11.4 56.0 26 28 A Y < - 0 0 5 -5,-2.0 2,-0.7 -25,-0.1 -1,-0.3 -0.432 61.1-116.5 -79.4 156.7 7.2 12.7 53.3 27 29 A Q E -a 3 0A 83 -25,-3.4 -23,-2.5 -2,-0.1 2,-0.3 -0.857 44.5-160.3 -92.6 115.9 6.3 16.3 52.8 28 30 A T E -a 4 0A 26 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.710 19.7-174.8-108.5 156.1 2.6 16.5 53.5 29 31 A F E -a 5 0A 38 -25,-1.7 -23,-3.1 -2,-0.3 2,-0.3 -0.949 13.4-144.0-140.4 154.8 -0.3 18.8 52.8 30 32 A Q E +a 6 0A 67 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.956 15.4 175.8-130.4 146.6 -4.0 18.9 54.0 31 33 A A E -a 7 0A 0 -25,-2.1 -23,-2.1 -2,-0.3 3,-0.1 -0.992 18.5-160.3-145.0 144.4 -7.3 19.8 52.4 32 34 A A S S+ 0 0 28 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.513 78.5 10.7-103.4 -10.5 -10.9 19.5 53.8 33 35 A N S > S- 0 0 61 -25,-0.1 4,-1.5 1,-0.0 5,-0.1 -0.916 88.3 -87.2-154.3 178.8 -12.8 19.7 50.5 34 36 A G H > S+ 0 0 5 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.859 115.8 56.2 -64.8 -40.0 -12.2 19.5 46.8 35 37 A L H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 110.9 43.0 -61.6 -44.8 -11.5 23.2 46.1 36 38 A Q H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.870 114.2 54.5 -63.8 -40.7 -8.6 23.5 48.6 37 39 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.958 109.2 45.3 -57.7 -53.4 -7.5 20.1 47.3 38 40 A L H X S+ 0 0 11 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.883 111.5 54.9 -59.0 -39.3 -7.4 21.5 43.7 39 41 A D H X S+ 0 0 121 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.920 110.0 44.2 -58.8 -50.3 -5.7 24.6 45.0 40 42 A I H X>S+ 0 0 33 -4,-2.6 4,-3.1 2,-0.2 5,-0.9 0.855 108.4 56.8 -67.0 -36.5 -2.8 22.7 46.6 41 43 A V H X5S+ 0 0 0 -4,-2.2 4,-1.0 3,-0.2 -1,-0.2 0.901 111.6 46.1 -60.4 -38.5 -2.4 20.4 43.6 42 44 A T H <5S+ 0 0 80 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.926 122.3 31.8 -68.6 -50.3 -1.9 23.5 41.5 43 45 A K H <5S+ 0 0 172 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.803 134.2 27.2 -81.9 -32.1 0.6 25.3 43.8 44 46 A E H <5S- 0 0 48 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.700 81.6-151.2-103.4 -24.6 2.4 22.3 45.3 45 47 A R << - 0 0 120 -4,-1.0 -4,-0.2 -5,-0.9 -42,-0.2 0.955 24.1-154.6 47.8 60.5 2.0 19.7 42.5 46 48 A P - 0 0 0 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.237 16.1-135.1 -63.5 154.1 2.1 16.8 45.1 47 49 A D S S+ 0 0 55 -44,-1.1 28,-2.4 1,-0.2 2,-0.4 0.834 85.7 22.3 -78.4 -37.8 3.2 13.3 43.9 48 50 A L E -bc 4 75A 0 -45,-2.0 -43,-2.9 26,-0.2 2,-0.4 -0.992 63.8-159.2-137.5 143.5 0.4 11.4 45.6 49 51 A V E -bc 5 76A 0 26,-2.0 28,-2.6 -2,-0.4 2,-0.8 -0.980 10.0-154.1-125.1 132.5 -3.1 12.2 46.9 50 52 A L E -bc 6 77A 1 -45,-2.7 -43,-3.0 -2,-0.4 2,-0.7 -0.925 27.2-162.1-104.0 104.0 -5.1 10.3 49.5 51 53 A L E -bc 7 78A 0 26,-2.2 28,-3.0 -2,-0.8 2,-0.6 -0.812 16.3-149.4-100.7 106.9 -8.6 11.2 48.4 52 54 A D E - c 0 79A 3 -45,-2.5 28,-0.2 -2,-0.7 3,-0.1 -0.610 10.7-160.6 -71.7 116.9 -11.6 10.8 50.7 53 55 A M S S+ 0 0 6 26,-3.1 2,-0.5 -2,-0.6 7,-0.5 0.517 75.5 68.0 -79.2 -4.9 -14.4 10.1 48.2 54 56 A K + 0 0 83 25,-0.3 -1,-0.2 5,-0.1 -45,-0.2 -0.728 58.1 134.9-120.3 83.0 -17.1 11.0 50.7 55 57 A I > - 0 0 10 -2,-0.5 3,-2.4 3,-0.4 5,-0.1 -0.998 63.2-102.1-125.4 123.8 -17.0 14.8 51.5 56 58 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.214 105.0 9.0 -52.0 128.7 -20.4 16.6 51.5 57 59 A G T 3 S+ 0 0 95 1,-0.2 2,-0.4 -24,-0.1 -24,-0.0 0.337 104.2 117.5 85.4 -6.3 -20.9 18.6 48.3 58 60 A M < - 0 0 30 -3,-2.4 2,-0.9 -24,-0.0 -3,-0.4 -0.812 56.6-150.6-102.8 132.8 -17.9 17.0 46.6 59 61 A D >> - 0 0 108 -2,-0.4 4,-1.7 1,-0.2 3,-0.7 -0.861 15.0-162.6 -98.1 99.0 -18.0 14.9 43.5 60 62 A G H 3> S+ 0 0 6 -2,-0.9 4,-1.5 -7,-0.5 -1,-0.2 0.875 85.7 51.0 -48.6 -51.4 -14.9 12.6 44.1 61 63 A I H 3> S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.827 108.4 53.8 -60.8 -33.5 -14.5 11.4 40.5 62 64 A E H <> S+ 0 0 69 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.892 106.7 49.2 -70.0 -42.2 -14.6 15.0 39.2 63 65 A I H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.776 110.7 53.0 -68.8 -28.1 -11.8 16.3 41.5 64 66 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.931 109.5 47.9 -67.3 -50.8 -9.8 13.3 40.4 65 67 A K H X S+ 0 0 100 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.894 114.2 46.0 -54.3 -50.9 -10.4 14.3 36.8 66 68 A R H X S+ 0 0 114 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.879 110.4 52.7 -64.1 -43.6 -9.4 17.9 37.4 67 69 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 7,-0.2 0.914 107.7 52.4 -59.0 -44.2 -6.3 17.0 39.4 68 70 A K H < S+ 0 0 43 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.839 111.4 47.1 -60.7 -36.8 -5.2 14.8 36.5 69 71 A V H < S+ 0 0 123 -4,-1.4 3,-0.4 1,-0.2 -2,-0.2 0.939 112.1 47.4 -71.2 -49.8 -5.6 17.7 34.1 70 72 A I H < S+ 0 0 57 -4,-2.8 -2,-0.2 1,-0.3 2,-0.2 0.825 139.5 4.4 -61.1 -33.2 -3.8 20.2 36.3 71 73 A D >< - 0 0 9 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.3 -0.701 62.9-171.7-158.4 96.2 -1.0 17.6 36.7 72 74 A E T 3 S+ 0 0 165 -3,-0.4 -4,-0.1 1,-0.3 -3,-0.1 0.420 85.7 66.3 -74.8 2.8 -1.3 14.4 34.7 73 75 A N T 3 S+ 0 0 118 2,-0.1 -1,-0.3 -5,-0.0 2,-0.3 0.452 75.5 106.7 -99.2 -10.5 1.7 13.0 36.7 74 76 A I < - 0 0 3 -3,-1.7 2,-0.4 -7,-0.2 -26,-0.2 -0.538 58.6-149.9 -76.1 132.6 -0.1 13.0 40.0 75 77 A R E -c 48 0A 75 -28,-2.4 -26,-2.0 -2,-0.3 2,-0.4 -0.883 12.8-158.1-105.7 141.4 -1.1 9.5 41.4 76 78 A V E -c 49 0A 0 -2,-0.4 21,-3.4 -28,-0.2 22,-0.6 -0.930 17.9-165.4-125.8 142.2 -4.2 9.0 43.6 77 79 A I E -cd 50 98A 1 -28,-2.6 -26,-2.2 -2,-0.4 2,-0.3 -0.996 25.5-144.3-120.0 118.5 -5.4 6.4 46.1 78 80 A I E -cd 51 99A 0 20,-1.9 22,-1.8 -2,-0.5 2,-0.5 -0.635 2.9-147.7 -91.8 147.4 -9.1 6.8 46.8 79 81 A M E +cd 52 100A 2 -28,-3.0 -26,-3.1 -2,-0.3 -25,-0.3 -0.962 24.2 179.2-114.6 123.5 -10.7 6.2 50.2 80 82 A T E - d 0 101A 1 20,-2.8 22,-2.1 -2,-0.5 2,-0.2 -0.577 33.3 -96.2-116.5 178.4 -14.2 4.9 50.2 81 83 A A S S- 0 0 49 20,-0.2 2,-3.0 -2,-0.2 -1,-0.1 -0.482 71.4 -71.6 -85.3 163.3 -16.9 3.9 52.6 82 84 A Y S S+ 0 0 212 20,-0.5 2,-0.2 -2,-0.2 -1,-0.1 -0.416 117.6 19.4 -68.0 78.7 -17.1 0.2 53.3 83 85 A G + 0 0 49 -2,-3.0 -3,-0.1 1,-0.1 -1,-0.0 -0.859 53.5 130.9 175.4-140.1 -18.5 -0.2 49.6 84 86 A E > - 0 0 87 -2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.716 14.0-175.7 24.6 93.5 -19.1 1.3 45.7 85 87 A L H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.769 85.4 49.1 -61.5 -38.9 -18.4 -0.6 42.4 86 88 A D H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 111.9 49.6 -70.2 -43.8 -19.1 2.2 39.9 87 89 A M H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 113.5 46.2 -59.5 -48.3 -16.9 4.7 41.7 88 90 A I H X S+ 0 0 37 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.930 112.3 49.7 -63.2 -44.8 -14.1 2.3 41.9 89 91 A Q H X S+ 0 0 90 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.889 112.3 49.4 -60.3 -39.3 -14.4 1.3 38.2 90 92 A E H X S+ 0 0 92 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.917 112.3 45.8 -67.0 -44.5 -14.4 5.0 37.3 91 93 A S H <>S+ 0 0 4 -4,-2.5 5,-3.2 2,-0.2 4,-0.2 0.850 111.3 53.6 -68.2 -33.4 -11.4 5.8 39.4 92 94 A K H ><5S+ 0 0 143 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.947 107.9 50.3 -64.6 -47.2 -9.6 2.8 38.0 93 95 A E H 3<5S+ 0 0 134 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.796 109.0 53.2 -61.1 -28.6 -10.3 4.0 34.4 94 96 A L T 3<5S- 0 0 57 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.451 127.8 -97.7 -87.3 -0.4 -8.9 7.4 35.4 95 97 A G T < 5 + 0 0 38 -3,-1.8 -19,-0.2 -4,-0.2 -3,-0.2 0.468 61.2 166.3 101.7 0.4 -5.7 5.9 36.6 96 98 A A < - 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