==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 17-MAY-96 2HID . COMPND 2 MOLECULE: HISTIDINE CONTAINING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR B.E.JONES,P.RAJAGOPAL,R.E.KLEVIT . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 72.4 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 . 18 20.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 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 . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 76 0, 0.0 63,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 44.7 10.3 -2.0 9.2 2 3 A Q E -A 63 0A 122 61,-0.2 2,-0.3 2,-0.0 61,-0.2 -0.958 360.0-156.3-173.4-172.6 7.0 -0.3 8.3 3 4 A K E -A 62 0A 78 59,-1.8 59,-1.4 -2,-0.3 2,-0.4 -0.981 16.7-119.5-170.6 172.9 5.4 3.1 7.8 4 5 A T E -A 61 0A 81 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.991 22.6-170.1-131.2 135.2 2.0 4.9 7.9 5 6 A F E -A 60 0A 6 55,-1.5 55,-1.9 -2,-0.4 2,-0.8 -0.915 19.9-133.9-124.1 151.8 0.3 6.8 5.0 6 7 A K E -A 59 0A 90 -2,-0.3 81,-0.5 53,-0.2 2,-0.3 -0.858 21.7-138.0-106.8 103.9 -2.8 9.1 4.9 7 8 A V E +A 58 0A 7 51,-1.4 50,-1.2 -2,-0.8 51,-1.0 -0.412 37.2 158.4 -60.9 118.1 -5.1 8.1 2.0 8 9 A T + 0 0 74 77,-0.7 2,-0.2 -2,-0.3 78,-0.2 0.489 27.2 121.4-119.5 -10.0 -6.2 11.4 0.5 9 10 A A > - 0 0 16 76,-1.2 2,-1.9 1,-0.1 3,-1.3 -0.374 69.0-125.4 -58.8 122.0 -7.2 10.3 -3.1 10 11 A D T 3 S+ 0 0 137 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.482 99.3 45.3 -71.3 86.3 -10.9 11.3 -3.5 11 12 A S T 3 S- 0 0 80 -2,-1.9 2,-0.2 3,-0.0 -1,-0.2 0.066 100.3-122.3 169.3 -34.9 -12.3 7.8 -4.4 12 13 A G < - 0 0 1 -3,-1.3 2,-0.6 43,-0.2 43,-0.2 -0.700 47.5 -48.9 105.1-159.9 -10.7 5.3 -2.0 13 14 A I S S+ 0 0 24 41,-1.0 41,-0.3 -2,-0.2 40,-0.2 -0.909 74.3 131.1-120.1 107.2 -8.5 2.3 -2.9 14 15 A H S > S- 0 0 83 -2,-0.6 4,-0.7 39,-0.1 35,-0.1 0.094 76.5 -44.3-123.4-124.9 -9.9 -0.0 -5.6 15 16 A A H > S+ 0 0 48 2,-0.2 4,-1.4 3,-0.2 5,-0.2 0.806 127.9 61.1 -86.4 -29.1 -8.2 -1.5 -8.7 16 17 A R H > S+ 0 0 173 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.977 117.3 29.1 -61.2 -54.6 -6.5 1.7 -9.9 17 18 A P H > S+ 0 0 4 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.756 118.4 58.9 -77.2 -24.9 -4.4 2.1 -6.7 18 19 A A H X S+ 0 0 3 -4,-0.7 4,-0.9 2,-0.2 -2,-0.2 0.721 106.9 48.1 -76.9 -18.6 -4.3 -1.7 -6.2 19 20 A T H X S+ 0 0 74 -4,-1.4 4,-1.1 -3,-0.3 -1,-0.2 0.855 114.8 42.3 -88.7 -38.0 -2.7 -2.3 -9.6 20 21 A V H X S+ 0 0 28 -4,-1.3 4,-1.4 -5,-0.2 -2,-0.2 0.809 118.3 47.4 -77.6 -27.8 0.1 0.4 -9.2 21 22 A L H X S+ 0 0 15 -4,-1.5 4,-1.9 2,-0.2 5,-0.2 0.854 109.4 52.2 -81.0 -35.0 0.7 -0.7 -5.6 22 23 A V H X S+ 0 0 22 -4,-0.9 4,-1.4 -5,-0.2 -2,-0.2 0.838 109.1 51.9 -70.1 -30.4 0.9 -4.4 -6.4 23 24 A Q H X S+ 0 0 119 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.951 110.2 46.0 -71.6 -48.6 3.4 -3.8 -9.2 24 25 A T H >X S+ 0 0 22 -4,-1.4 3,-0.7 1,-0.2 4,-0.6 0.946 114.7 47.6 -60.6 -47.0 5.9 -1.7 -7.0 25 26 A A H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.860 105.7 60.0 -63.6 -32.6 5.7 -4.3 -4.2 26 27 A S H 3< S+ 0 0 70 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.815 93.3 66.0 -66.0 -27.3 6.2 -7.1 -6.7 27 28 A K H << S+ 0 0 164 -4,-1.2 2,-0.5 -3,-0.7 -1,-0.2 0.784 98.8 61.0 -65.9 -24.0 9.6 -5.5 -7.6 28 29 A Y S << S- 0 0 52 -3,-1.1 4,-0.2 -4,-0.6 -1,-0.0 -0.885 72.9-149.4-107.6 133.2 10.8 -6.3 -4.1 29 30 A D + 0 0 145 -2,-0.5 -1,-0.1 2,-0.1 40,-0.1 0.692 69.6 106.1 -71.8 -15.6 11.0 -10.0 -2.9 30 31 A A S S- 0 0 1 1,-0.1 2,-0.9 38,-0.1 36,-0.2 -0.126 87.1 -99.3 -58.9 162.7 10.3 -8.7 0.7 31 32 A D E -B 65 0A 90 34,-1.1 34,-0.7 11,-0.0 2,-0.6 -0.749 41.4-171.3 -89.9 105.9 6.8 -9.4 2.1 32 33 A V E +B 64 0A 0 -2,-0.9 11,-1.4 32,-0.2 12,-0.4 -0.854 10.2 173.7-100.2 118.4 4.8 -6.2 1.8 33 34 A N E -BC 63 42A 49 30,-1.8 30,-1.3 -2,-0.6 2,-0.5 -0.828 24.4-134.6-120.8 161.6 1.4 -6.3 3.5 34 35 A L E -BC 62 41A 11 7,-1.0 7,-1.8 -2,-0.3 2,-0.5 -0.956 13.2-158.5-118.7 130.3 -1.3 -3.6 4.1 35 36 A E E +BC 61 40A 92 26,-1.6 26,-1.5 -2,-0.5 2,-0.3 -0.913 25.5 148.8-110.1 127.5 -3.0 -3.1 7.5 36 37 A Y E > + C 0 39A 43 3,-1.9 3,-1.0 -2,-0.5 24,-0.1 -0.974 61.9 10.8-156.5 140.0 -6.4 -1.4 7.7 37 38 A N T 3 S- 0 0 123 22,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.869 127.0 -64.0 61.4 34.5 -9.5 -1.7 10.0 38 39 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.835 113.7 118.9 59.6 30.1 -7.4 -3.8 12.4 39 40 A K E < -C 36 0A 135 -3,-1.0 -3,-1.9 13,-0.0 2,-0.5 -0.969 59.4-137.4-128.3 143.4 -7.2 -6.5 9.7 40 41 A T E +C 35 0A 109 -2,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.846 33.6 157.4-101.7 131.4 -4.1 -7.8 7.9 41 42 A V E -C 34 0A 32 -7,-1.8 -7,-1.0 -2,-0.5 2,-0.4 -0.732 42.1 -90.2-137.0-173.1 -4.1 -8.3 4.1 42 43 A N E > -C 33 0A 59 -9,-0.2 3,-1.2 -2,-0.2 -9,-0.2 -0.886 17.2-145.5-108.4 135.2 -1.7 -8.6 1.2 43 44 A L T 3 S+ 0 0 11 -11,-1.4 -10,-0.1 -2,-0.4 -18,-0.1 0.740 101.3 60.2 -69.1 -19.6 -0.6 -5.5 -0.8 44 45 A K T 3 S+ 0 0 68 -12,-0.4 2,-0.5 -19,-0.1 -1,-0.3 0.015 87.2 97.5 -96.2 30.2 -0.5 -7.6 -3.9 45 46 A S <> - 0 0 44 -3,-1.2 4,-0.7 1,-0.1 5,-0.1 -0.966 48.1-173.8-121.1 129.7 -4.2 -8.5 -3.7 46 47 A I H > S+ 0 0 84 -2,-0.5 4,-0.8 2,-0.1 -1,-0.1 0.840 93.7 37.2 -88.1 -35.9 -6.9 -6.6 -5.6 47 48 A M H > S+ 0 0 158 2,-0.2 4,-1.7 1,-0.1 5,-0.2 0.788 109.1 64.3 -85.1 -28.3 -9.9 -8.3 -3.9 48 49 A G H > S+ 0 0 18 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.937 106.0 43.3 -61.0 -45.1 -8.2 -8.4 -0.5 49 50 A V H X>S+ 0 0 9 -4,-0.7 4,-1.5 1,-0.2 5,-0.6 0.864 107.9 60.4 -69.8 -33.6 -8.2 -4.6 -0.2 50 51 A V H <5S+ 0 0 85 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 100.2 55.8 -62.4 -34.3 -11.8 -4.5 -1.6 51 52 A S H <5S+ 0 0 94 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 101.8 57.7 -67.5 -31.0 -12.9 -6.5 1.5 52 53 A L H <5S- 0 0 21 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.930 98.2-141.9 -65.8 -43.1 -11.3 -3.9 3.8 53 54 A G T <5 - 0 0 53 -4,-1.5 2,-0.2 -40,-0.2 -3,-0.1 0.935 24.4-172.3 81.6 49.7 -13.5 -1.1 2.3 54 55 A I < - 0 0 15 -5,-0.6 -41,-1.0 -41,-0.3 2,-0.2 -0.521 5.6-179.6 -76.4 142.1 -10.9 1.7 2.3 55 56 A A - 0 0 50 -43,-0.2 -43,-0.2 -2,-0.2 3,-0.2 -0.809 37.4 -64.9-133.7 175.4 -12.2 5.2 1.4 56 57 A K S S+ 0 0 134 -2,-0.2 -48,-0.2 1,-0.2 -1,-0.1 -0.226 116.7 32.2 -59.8 151.9 -10.8 8.7 1.1 57 58 A G S S+ 0 0 57 -50,-1.2 2,-0.2 1,-0.2 -1,-0.2 0.963 92.7 134.0 65.9 50.3 -9.5 10.3 4.3 58 59 A A E -A 7 0A 7 -51,-1.0 -51,-1.4 -3,-0.2 2,-0.4 -0.770 50.1-130.3-124.9 171.9 -8.3 7.0 5.8 59 60 A E E +A 6 0A 131 -2,-0.2 -22,-0.3 -53,-0.2 2,-0.3 -0.984 25.4 175.0-127.6 131.6 -5.2 5.7 7.6 60 61 A I E -A 5 0A 9 -55,-1.9 -55,-1.5 -2,-0.4 2,-0.4 -0.848 19.9-143.1-129.3 167.2 -3.2 2.6 6.7 61 62 A T E -AB 4 35A 33 -26,-1.5 -26,-1.6 -2,-0.3 -57,-0.2 -0.952 12.5-158.5-136.0 116.9 0.1 1.0 7.8 62 63 A I E -AB 3 34A 0 -59,-1.4 -59,-1.8 -2,-0.4 2,-0.3 -0.587 8.9-169.4 -91.9 156.5 2.5 -0.8 5.5 63 64 A S E -AB 2 33A 37 -30,-1.3 -30,-1.8 -61,-0.2 2,-0.4 -0.999 6.4-164.5-146.0 142.3 5.1 -3.4 6.6 64 65 A A E + B 0 32A 0 -63,-1.7 2,-0.3 -2,-0.3 -32,-0.2 -0.988 8.4 175.7-130.8 136.7 8.0 -5.1 4.9 65 66 A S E + B 0 31A 71 -34,-0.7 -34,-1.1 -2,-0.4 2,-0.2 -0.809 46.7 61.8-142.5 99.4 9.9 -8.2 6.0 66 67 A G S S- 0 0 45 -2,-0.3 3,-0.2 -36,-0.2 -36,-0.1 -0.845 97.3 -52.9-178.4-143.7 12.7 -9.7 3.8 67 68 A A S S+ 0 0 103 -2,-0.2 3,-0.4 1,-0.2 -1,-0.1 0.919 133.6 28.0 -87.9 -51.5 16.0 -8.7 2.2 68 69 A D S > S+ 0 0 43 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 -0.162 79.1 130.3-101.8 40.8 15.0 -5.4 0.5 69 70 A E H > S+ 0 0 46 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.818 73.9 52.2 -63.3 -27.7 12.2 -4.6 3.0 70 71 A N H > S+ 0 0 90 -3,-0.4 4,-1.8 1,-0.2 5,-0.3 0.938 108.5 47.1 -75.1 -46.9 13.7 -1.1 3.4 71 72 A D H > S+ 0 0 91 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.719 111.7 55.7 -67.7 -17.9 13.8 -0.3 -0.3 72 73 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.942 108.1 42.5 -80.6 -50.8 10.2 -1.6 -0.6 73 74 A L H X S+ 0 0 17 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.927 120.5 42.4 -64.1 -43.2 8.5 0.6 2.0 74 75 A N H X S+ 0 0 67 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.819 110.3 58.2 -74.0 -26.8 10.4 3.8 0.9 75 76 A A H X S+ 0 0 5 -4,-0.7 4,-1.1 -5,-0.3 -1,-0.2 0.817 106.1 49.3 -71.5 -27.3 9.8 2.9 -2.8 76 77 A L H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.795 104.4 60.1 -81.0 -27.3 6.1 2.9 -2.2 77 78 A E H X S+ 0 0 65 -4,-1.1 4,-1.7 2,-0.2 5,-0.3 0.961 109.0 41.0 -64.9 -50.4 6.2 6.3 -0.4 78 79 A E H X S+ 0 0 112 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.845 112.8 56.1 -67.7 -31.1 7.6 8.0 -3.5 79 80 A T H X S+ 0 0 16 -4,-1.1 4,-1.0 -5,-0.2 -1,-0.2 0.825 107.4 50.8 -70.7 -28.8 5.3 6.1 -5.8 80 81 A M H >X>S+ 0 0 9 -4,-1.5 5,-1.4 -3,-0.2 4,-1.1 0.992 115.6 36.1 -71.9 -65.7 2.3 7.3 -3.8 81 82 A K H 3<5S+ 0 0 126 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.799 111.3 65.6 -59.6 -25.6 2.9 11.1 -3.8 82 83 A S H 3<5S+ 0 0 78 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.890 115.6 27.1 -65.5 -36.2 4.3 10.7 -7.3 83 84 A E H <<5S- 0 0 105 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.408 112.7-114.8-104.9 1.5 0.8 9.7 -8.6 84 85 A G T <5S+ 0 0 55 -4,-1.1 -3,-0.2 2,-0.1 -4,-0.1 0.987 76.9 125.3 65.5 57.0 -1.1 11.7 -5.9 85 86 A L S