==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUN-03 1PUX . COMPND 2 MOLECULE: SPORULATION INITIATION PHOSPHOTRANSFERASE F; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.K.GARDINO,B.F.VOLKMAN,H.S.CHO,S.Y.LEE,D.E.WEMMER,D.KERN . 124 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 12.1 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 . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 . 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 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 1 A M 0 0 229 0, 0.0 2,-0.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 161.7 -6.1 -10.5 19.2 2 2 A M - 0 0 105 25,-0.3 2,-0.2 2,-0.1 25,-0.1 -0.561 360.0-119.9-128.5-167.8 -7.2 -9.9 15.7 3 3 A N + 0 0 147 -2,-0.2 2,-0.2 117,-0.1 25,-0.1 -0.672 68.6 84.3-144.3 83.0 -6.5 -11.0 12.1 4 4 A E - 0 0 10 -2,-0.2 25,-1.0 23,-0.1 2,-0.3 -0.836 40.2-178.4-179.3 140.7 -5.4 -8.2 9.9 5 5 A K E -a 29 0A 48 -2,-0.2 44,-1.0 23,-0.2 2,-0.3 -0.957 1.0-178.7-144.7 159.9 -2.2 -6.4 8.9 6 6 A I E -a 30 0A 4 23,-1.3 25,-1.1 -2,-0.3 2,-0.4 -0.978 12.3-148.9-159.7 150.3 -1.2 -3.5 6.6 7 7 A L E -ab 31 51A 0 43,-1.9 45,-3.1 -2,-0.3 2,-0.4 -0.958 7.4-159.0-126.8 144.3 1.9 -1.7 5.6 8 8 A I E -ab 32 52A 3 23,-2.9 25,-1.5 -2,-0.4 2,-0.4 -0.977 9.3-179.8-125.8 136.6 2.4 1.9 4.6 9 9 A V E -ab 33 53A 0 43,-3.6 45,-0.8 -2,-0.4 25,-0.2 -0.998 52.9 -30.7-138.8 131.4 5.3 3.4 2.6 10 10 A D S S+ 0 0 36 23,-1.5 -1,-0.3 -2,-0.4 3,-0.1 0.196 99.3 83.5 49.6 178.7 5.8 7.0 1.5 11 11 A D + 0 0 31 1,-0.3 2,-0.6 45,-0.2 4,-0.3 0.523 62.3 155.6 69.3 4.3 2.8 9.2 0.8 12 12 A Q + 0 0 95 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 -0.530 9.5 131.4 -68.5 113.8 2.9 9.7 4.6 13 13 A Y S S- 0 0 211 -2,-0.6 -1,-0.2 -3,-0.1 -2,-0.0 0.037 94.0 -62.7-153.5 28.5 1.2 13.1 5.3 14 14 A G S > S+ 0 0 38 0, 0.0 4,-0.8 0, 0.0 -2,-0.1 0.330 123.5 89.6 101.5 -3.6 -1.2 12.3 8.0 15 15 A I H > S+ 0 0 57 -4,-0.3 4,-1.9 2,-0.2 5,-0.3 0.800 74.5 64.5 -90.7 -35.9 -3.2 9.9 5.9 16 16 A R H > S+ 0 0 58 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.849 105.2 47.5 -54.8 -36.9 -1.2 6.9 6.8 17 17 A I H > S+ 0 0 69 2,-0.2 4,-3.7 1,-0.2 5,-0.4 0.915 102.4 63.1 -70.7 -45.0 -2.5 7.3 10.3 18 18 A L H X S+ 0 0 94 -4,-0.8 4,-0.9 1,-0.3 -2,-0.2 0.919 113.8 33.8 -43.1 -57.5 -6.1 7.8 9.2 19 19 A L H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.741 116.8 61.2 -71.2 -23.8 -6.1 4.3 7.8 20 20 A N H X S+ 0 0 28 -4,-1.0 4,-4.6 -5,-0.3 5,-0.4 0.986 100.9 48.1 -65.2 -61.1 -3.8 3.3 10.7 21 21 A E H X S+ 0 0 132 -4,-3.7 4,-2.0 1,-0.2 -1,-0.2 0.782 112.5 55.4 -50.0 -28.8 -6.3 4.2 13.4 22 22 A V H X S+ 0 0 26 -4,-0.9 4,-0.6 -5,-0.4 -2,-0.2 0.988 116.5 31.1 -68.3 -62.2 -8.7 2.2 11.4 23 23 A F H >X>S+ 0 0 8 -4,-2.5 5,-2.4 1,-0.2 4,-0.6 0.818 122.6 52.3 -65.6 -32.2 -6.7 -1.0 11.2 24 24 A N H ><5S+ 0 0 86 -4,-4.6 3,-1.0 1,-0.2 -1,-0.2 0.861 94.8 68.7 -71.2 -37.2 -5.3 -0.2 14.6 25 25 A K H 3<5S+ 0 0 168 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.767 105.4 44.1 -51.9 -25.8 -8.7 0.3 16.0 26 26 A E H <<5S- 0 0 84 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.674 124.4-107.5 -91.3 -22.1 -9.0 -3.5 15.4 27 27 A G T <<5 + 0 0 55 -3,-1.0 -25,-0.3 -4,-0.6 -3,-0.2 0.488 63.2 159.2 105.2 9.5 -5.6 -4.1 16.9 28 28 A Y < - 0 0 15 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.2 -0.284 44.3-115.5 -64.5 149.3 -4.0 -4.9 13.5 29 29 A Q E +a 5 0A 112 -25,-1.0 -23,-1.3 17,-0.1 2,-0.3 -0.804 41.0 173.9 -92.7 115.9 -0.2 -4.6 13.2 30 30 A T E -a 6 0A 23 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.919 7.7-173.7-123.5 148.9 0.8 -1.9 10.8 31 31 A F E -a 7 0A 86 -25,-1.1 -23,-2.9 -2,-0.3 2,-0.3 -0.909 12.9-138.2-137.3 163.8 4.2 -0.5 9.9 32 32 A Q E -a 8 0A 75 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.895 15.2-172.1-124.4 154.0 5.8 2.3 7.9 33 33 A A E -a 9 0A 6 -25,-1.5 -23,-1.5 -2,-0.3 3,-0.1 -0.889 24.0-146.0-138.8 167.5 8.8 2.5 5.6 34 34 A A S S+ 0 0 62 -2,-0.3 2,-0.3 -25,-0.2 3,-0.1 -0.287 80.5 6.9-130.7 45.8 10.7 5.1 3.7 35 35 A N S S- 0 0 75 1,-0.2 4,-0.3 2,-0.1 27,-0.0 -0.951 85.0 -84.1 164.9-176.4 11.7 3.1 0.6 36 36 A G S >> S+ 0 0 1 -2,-0.3 4,-2.4 2,-0.2 3,-0.8 0.963 120.6 42.2 -80.3 -61.2 11.3 -0.1 -1.2 37 37 A L H >> S+ 0 0 130 1,-0.3 4,-2.8 2,-0.3 3,-0.5 0.947 113.0 53.9 -50.0 -57.3 13.8 -2.4 0.5 38 38 A Q H 3> S+ 0 0 112 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.796 113.8 44.5 -48.0 -31.3 12.8 -1.0 3.9 39 39 A A H <> S+ 0 0 0 -3,-0.8 4,-1.4 -4,-0.3 -1,-0.3 0.788 107.7 58.3 -83.3 -31.3 9.3 -2.0 2.9 40 40 A L H > - 0 0 74 1,-0.1 4,-0.8 3,-0.1 3,-0.6 0.094 22.3-110.4 -49.1 170.7 11.5 6.5 -8.1 62 62 A G H 3>>S+ 0 0 0 -7,-0.9 4,-2.6 1,-0.2 5,-0.7 0.479 98.5 97.7 -85.3 -4.4 9.3 3.5 -7.3 63 63 A I H 345S+ 0 0 59 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.864 98.5 28.6 -49.9 -39.6 9.0 2.7 -10.9 64 64 A E H <>5S+ 0 0 89 -3,-0.6 4,-4.2 2,-0.2 5,-0.4 0.897 119.7 54.5 -87.2 -49.2 11.7 0.2 -10.4 65 65 A I H X5S+ 0 0 37 -4,-0.8 4,-3.8 1,-0.3 5,-0.2 0.957 113.5 41.4 -47.7 -65.1 11.1 -0.6 -6.8 66 66 A L H X5S+ 0 0 13 -4,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.814 117.7 53.3 -53.4 -31.5 7.5 -1.6 -7.4 67 67 A K H > - 0 0 28 20,-0.3 2,-3.8 -2,-0.3 3,-1.2 -0.211 53.9-102.7 -55.6 144.9 -1.8 11.8 -9.5 84 84 A Y T 3 S+ 0 0 176 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 -0.260 101.4 95.4 -68.7 57.5 -3.4 10.6 -12.7 85 85 A G T 3 S+ 0 0 70 -2,-3.8 3,-0.3 1,-0.1 -1,-0.2 0.643 77.5 48.9-116.6 -31.9 -0.6 12.2 -14.6 86 86 A E X> + 0 0 62 -3,-1.2 4,-2.1 1,-0.2 3,-1.3 -0.293 62.0 150.2-105.5 45.3 1.7 9.2 -15.1 87 87 A L H 3> + 0 0 103 1,-0.3 4,-3.9 2,-0.2 5,-0.2 0.829 66.0 71.7 -44.1 -36.6 -1.0 6.9 -16.3 88 88 A D H 3> S+ 0 0 155 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.929 108.0 31.1 -44.7 -58.3 1.9 5.3 -18.3 89 89 A M H <> S+ 0 0 26 -3,-1.3 4,-2.7 2,-0.2 5,-0.2 0.957 116.9 55.8 -66.5 -53.3 3.3 3.9 -15.1 90 90 A I H X S+ 0 0 15 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.844 108.5 52.8 -47.3 -37.5 0.0 3.5 -13.3 91 91 A Q H >X S+ 0 0 125 -4,-3.9 3,-2.1 -5,-0.3 4,-1.3 0.975 106.0 49.4 -63.1 -58.3 -0.9 1.4 -16.3 92 92 A E H 3X S+ 0 0 83 -4,-1.9 4,-1.7 1,-0.3 5,-0.2 0.885 102.3 63.6 -47.6 -45.6 2.1 -0.9 -16.2 93 93 A S H 3X>S+ 0 0 7 -4,-2.7 5,-2.6 1,-0.2 4,-0.5 0.821 101.3 53.5 -49.0 -34.2 1.3 -1.4 -12.5 94 94 A K H X<5S+ 0 0 136 -3,-2.1 3,-1.9 -4,-0.8 -1,-0.2 0.972 110.5 42.1 -65.6 -56.6 -1.9 -3.0 -13.7 95 95 A E H 3<5S+ 0 0 153 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.623 107.6 66.0 -65.4 -12.4 -0.3 -5.5 -16.0 96 96 A L H 3<5S- 0 0 32 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.684 122.3-106.8 -81.0 -20.2 2.2 -5.9 -13.2 97 97 A G T <<5 + 0 0 57 -3,-1.9 -3,-0.2 -4,-0.5 -2,-0.2 0.696 62.0 163.5 98.9 27.0 -0.5 -7.4 -11.1 98 98 A A < - 0 0 30 -5,-2.6 -19,-0.2 -6,-0.2 -1,-0.1 -0.247 46.7-121.6 -72.3 164.5 -0.9 -4.5 -8.8 99 99 A L S S- 0 0 43 -21,-1.4 2,-0.3 1,-0.3 -20,-0.2 0.944 72.6 -61.5 -71.8 -50.7 -4.0 -4.1 -6.6 100 100 A T - 0 0 46 -22,-0.4 -20,-1.2 2,-0.0 2,-0.3 -0.921 45.9-100.3-173.0-166.0 -5.0 -0.7 -8.0 101 101 A H E -d 80 0B 45 -2,-0.3 2,-0.3 -22,-0.1 -20,-0.2 -0.943 27.3-166.1-146.4 119.7 -3.9 2.9 -8.5 102 102 A F E -d 81 0B 37 -22,-2.1 -20,-3.0 -2,-0.3 2,-0.3 -0.726 16.5-128.4-105.6 155.4 -5.1 5.8 -6.5 103 103 A A - 0 0 25 2,-0.3 -20,-0.3 -2,-0.3 -2,-0.0 -0.794 35.1-100.2-103.8 145.6 -4.7 9.5 -7.2 104 104 A K S S+ 0 0 138 -2,-0.3 2,-1.5 1,-0.2 -1,-0.1 0.782 119.0 64.2 -22.4 -61.1 -3.3 12.1 -4.8 105 105 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -2,-0.3 -0.576 78.5 145.4 -75.0 91.2 -6.8 13.0 -4.0 106 106 A F - 0 0 58 -2,-1.5 2,-0.4 -4,-0.1 3,-0.1 -0.924 40.4-138.6-129.8 154.4 -8.1 9.8 -2.5 107 107 A D > - 0 0 101 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 -0.912 11.1-142.1-114.9 140.4 -10.5 8.9 0.3 108 108 A I H > S+ 0 0 17 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.905 103.1 63.6 -63.2 -43.1 -9.9 6.2 2.9 109 109 A D H 4 S+ 0 0 87 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.860 105.6 46.7 -48.1 -39.6 -13.6 5.3 2.8 110 110 A E H >> S+ 0 0 137 -3,-0.4 3,-1.2 1,-0.2 4,-1.2 0.884 110.5 50.4 -70.5 -40.5 -12.9 4.4 -0.8 111 111 A I H 3X S+ 0 0 17 -4,-1.6 4,-2.4 1,-0.3 -2,-0.2 0.737 100.9 65.7 -68.6 -22.9 -9.8 2.4 0.1 112 112 A R H 3X S+ 0 0 63 -4,-2.5 4,-1.6 1,-0.2 11,-0.3 0.689 98.2 54.7 -71.2 -19.1 -12.0 0.7 2.7 113 113 A D H <> S+ 0 0 99 -3,-1.2 4,-1.2 -4,-0.4 -2,-0.2 0.929 110.5 41.6 -78.4 -49.9 -13.9 -0.8 -0.1 114 114 A A H X S+ 0 0 29 -4,-1.2 4,-2.4 2,-0.2 5,-0.3 0.897 121.2 43.8 -63.5 -41.8 -10.9 -2.4 -1.9 115 115 A V H X S+ 0 0 3 -4,-2.4 4,-3.6 2,-0.2 6,-0.5 0.897 117.7 44.2 -69.3 -42.1 -9.5 -3.4 1.5 116 116 A K H < S+ 0 0 86 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.633 117.5 48.2 -75.9 -14.7 -12.9 -4.6 2.6 117 117 A K H < S+ 0 0 169 -4,-1.2 -2,-0.2 3,-0.1 -1,-0.2 0.758 124.5 28.8 -93.2 -31.8 -13.3 -6.2 -0.8 118 118 A Y H < S+ 0 0 124 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.853 127.0 37.9 -94.0 -45.9 -9.9 -7.8 -0.7 119 119 A L S < S- 0 0 15 -4,-3.6 2,-2.8 -5,-0.3 -1,-0.1 -0.721 94.2-101.7-107.4 158.5 -9.5 -8.4 3.0 120 120 A P + 0 0 105 0, 0.0 -4,-0.2 0, 0.0 -117,-0.1 -0.315 67.3 155.5 -75.0 57.9 -12.0 -9.4 5.6 121 121 A L - 0 0 11 -2,-2.8 2,-0.2 -6,-0.5 -98,-0.0 -0.284 41.2-142.8 -80.4 169.8 -12.3 -5.8 6.8 122 122 A K + 0 0 184 -2,-0.1 2,-0.4 2,-0.0 -1,-0.0 -0.607 33.4 160.3-136.7 73.0 -15.3 -4.3 8.5 123 123 A S 0 0 25 -11,-0.3 -2,-0.0 -2,-0.2 -101,-0.0 -0.780 360.0 360.0 -99.0 140.4 -15.7 -0.7 7.3 124 124 A N 0 0 190 -2,-0.4 -1,-0.1 0, 0.0 -15,-0.0 0.548 360.0 360.0 -42.7 360.0 -19.0 1.2 7.7