==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-03 1UJC . COMPND 2 MOLECULE: PHOSPHOHISTIDINE PHOSPHATASE SIXA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.HAMADA,M.KATO,T.SHIMIZU,K.IHARA,T.MIZUNO,T.HAKOSHIMA . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 10.3 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 0.6 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 . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 28 0, 0.0 137,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 131.5 7.2 16.4 25.2 2 2 A Q E -aB 102 137A 65 99,-2.4 101,-2.4 135,-0.2 2,-0.5 -0.676 360.0-168.1 -82.3 124.7 6.2 13.6 27.5 3 3 A V E -aB 103 136A 0 133,-3.3 133,-2.7 -2,-0.5 2,-0.6 -0.965 6.5-164.1-117.2 126.1 9.0 11.2 28.2 4 4 A F E -aB 104 135A 10 99,-3.2 101,-3.6 -2,-0.5 2,-0.6 -0.922 7.4-162.9-112.5 108.8 8.3 7.9 30.0 5 5 A I E -aB 105 134A 0 129,-2.7 129,-3.0 -2,-0.6 2,-0.4 -0.800 11.9-175.1 -94.6 122.5 11.4 6.3 31.3 6 6 A M E -aB 106 133A 0 99,-4.2 101,-3.3 -2,-0.6 2,-0.4 -0.945 21.9-139.4-125.1 138.8 11.1 2.6 32.2 7 7 A R E -a 107 0A 51 125,-1.7 124,-1.5 -2,-0.4 101,-0.2 -0.767 40.2-102.9 -90.4 135.7 13.4 0.0 33.8 8 8 A H - 0 0 12 99,-2.5 123,-1.0 -2,-0.4 124,-0.2 -0.075 46.5 -96.3 -51.9 158.9 13.3 -3.4 32.2 9 9 A G - 0 0 0 46,-0.5 18,-0.2 121,-0.2 -1,-0.1 -0.202 57.3 -58.4 -77.3 170.4 11.3 -6.0 34.1 10 10 A D - 0 0 60 16,-0.1 14,-2.7 13,-0.1 2,-0.3 -0.177 64.5-161.8 -47.5 131.3 12.6 -8.7 36.5 11 11 A A B -F 23 0B 11 12,-0.3 12,-0.2 -3,-0.1 -1,-0.1 -0.922 24.3 -93.4-127.8 150.6 15.2 -10.9 34.7 12 12 A A - 0 0 31 10,-2.0 12,-0.0 -2,-0.3 -1,-0.0 -0.252 29.9-139.8 -55.7 139.3 16.8 -14.3 35.1 13 13 A L S S+ 0 0 160 1,-0.1 2,-0.4 8,-0.1 -1,-0.1 0.838 82.0 54.8 -72.6 -33.8 20.1 -14.0 37.0 14 14 A D + 0 0 145 8,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.862 59.4 133.5-111.7 139.8 21.9 -16.6 34.8 15 15 A A S S- 0 0 32 -2,-0.4 6,-0.1 6,-0.1 3,-0.1 -0.937 71.8 -81.0-163.2 170.8 22.3 -16.7 31.1 16 16 A A S S- 0 0 107 -2,-0.3 2,-0.3 4,-0.2 3,-0.1 0.850 113.4 -18.9 -50.4 -34.8 25.2 -17.3 28.6 17 17 A S S > S- 0 0 60 1,-0.1 3,-0.7 -3,-0.0 4,-0.2 -0.960 76.4 -93.6-163.6 167.7 26.1 -13.7 29.2 18 18 A D G > S+ 0 0 73 -2,-0.3 3,-2.3 1,-0.2 -1,-0.1 0.931 114.9 57.2 -58.0 -53.5 24.5 -10.5 30.6 19 19 A S G 3 S+ 0 0 43 1,-0.3 35,-2.0 34,-0.1 36,-0.3 0.746 110.2 47.8 -52.8 -24.8 23.2 -8.9 27.4 20 20 A V G < S+ 0 0 54 -3,-0.7 -1,-0.3 33,-0.2 -2,-0.2 0.317 74.5 130.7-102.9 10.1 21.2 -12.0 26.7 21 21 A R < - 0 0 41 -3,-2.3 34,-0.3 -4,-0.2 -6,-0.1 -0.456 51.8-138.4 -64.3 124.5 19.5 -12.6 30.1 22 22 A P - 0 0 58 0, 0.0 -10,-2.0 0, 0.0 2,-0.1 -0.284 20.3 -93.7 -81.1 171.1 15.8 -13.1 29.4 23 23 A L B -F 11 0B 14 -12,-0.2 -12,-0.3 31,-0.2 2,-0.2 -0.489 38.6-123.9 -80.8 152.0 12.8 -11.7 31.4 24 24 A T > - 0 0 32 -14,-2.7 4,-2.2 -2,-0.1 5,-0.2 -0.503 27.1-104.7 -89.8 168.1 11.3 -13.8 34.1 25 25 A T H > S+ 0 0 109 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.921 125.9 46.5 -56.5 -46.0 7.6 -14.8 34.2 26 26 A N H > S+ 0 0 60 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.908 108.6 55.5 -63.3 -42.7 7.1 -12.2 37.0 27 27 A G H > S+ 0 0 0 -17,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.863 111.5 44.7 -58.1 -36.8 9.1 -9.7 35.0 28 28 A C H X S+ 0 0 17 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.946 113.2 50.5 -70.7 -49.7 6.7 -10.2 32.2 29 29 A D H X S+ 0 0 92 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.928 113.8 43.6 -54.1 -51.5 3.7 -10.1 34.5 30 30 A E H X S+ 0 0 21 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.831 110.3 55.8 -66.5 -32.8 4.7 -6.8 36.1 31 31 A S H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.888 109.8 46.0 -66.9 -36.6 5.7 -5.3 32.8 32 32 A R H X S+ 0 0 85 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.853 109.3 57.3 -70.8 -34.4 2.2 -6.0 31.5 33 33 A L H X S+ 0 0 65 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.935 110.0 42.2 -60.5 -48.9 0.8 -4.6 34.7 34 34 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.856 111.9 56.3 -67.1 -36.1 2.5 -1.3 34.2 35 35 A A H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.935 108.8 45.7 -61.6 -47.3 1.6 -1.3 30.5 36 36 A N H X S+ 0 0 79 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.868 109.3 55.8 -65.1 -35.9 -2.1 -1.6 31.3 37 37 A W H X S+ 0 0 49 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.944 108.7 47.2 -61.5 -46.2 -1.8 1.1 34.0 38 38 A L H ><>S+ 0 0 2 -4,-2.3 5,-1.7 1,-0.2 3,-0.7 0.895 109.5 54.2 -60.6 -40.4 -0.4 3.5 31.3 39 39 A K H ><5S+ 0 0 111 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.894 106.7 51.5 -60.5 -40.2 -3.2 2.4 29.0 40 40 A G H 3<5S+ 0 0 50 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.708 101.7 62.4 -70.0 -18.3 -5.7 3.4 31.7 41 41 A Q T <<5S- 0 0 101 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.346 116.4-113.1 -88.5 7.4 -3.9 6.7 32.0 42 42 A K T < 5 + 0 0 161 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.886 57.6 169.5 62.6 38.9 -4.9 7.6 28.4 43 43 A V < - 0 0 25 -5,-1.7 2,-0.6 2,-0.0 -1,-0.2 -0.718 19.6-166.6 -87.3 128.9 -1.2 7.5 27.5 44 44 A E - 0 0 167 -2,-0.4 2,-0.6 -3,-0.1 25,-0.1 -0.947 8.5-153.3-119.4 108.0 -0.5 7.5 23.8 45 45 A I + 0 0 12 23,-0.6 58,-0.1 -2,-0.6 3,-0.1 -0.732 16.9 176.8 -87.5 119.4 3.1 6.6 22.9 46 46 A E + 0 0 90 56,-0.7 2,-0.3 -2,-0.6 57,-0.2 0.820 68.0 20.8 -88.0 -36.7 4.3 8.1 19.7 47 47 A R E -c 103 0A 53 55,-1.6 57,-2.4 23,-0.1 2,-0.4 -0.970 63.0-153.8-136.5 151.8 7.9 6.9 19.7 48 48 A V E -c 104 0A 2 -2,-0.3 26,-2.9 55,-0.2 2,-0.5 -0.989 6.3-173.9-131.3 129.1 9.8 4.1 21.4 49 49 A L E +cd 105 74A 0 55,-2.4 57,-2.3 -2,-0.4 2,-0.3 -0.980 16.6 179.2-119.8 128.1 13.5 3.9 22.3 50 50 A V E -cd 106 75A 2 24,-2.4 26,-2.2 -2,-0.5 29,-0.2 -0.965 30.5-109.0-136.2 150.5 14.9 0.7 23.7 51 51 A S - 0 0 0 55,-1.5 6,-0.2 -2,-0.3 29,-0.0 -0.391 29.5-124.3 -69.6 149.9 18.2 -0.8 24.9 52 52 A P S S+ 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.621 80.4 107.2 -70.5 -14.7 19.8 -3.5 22.6 53 53 A F S >> S- 0 0 43 1,-0.1 4,-1.9 24,-0.0 3,-1.5 -0.472 79.5-122.8 -72.5 136.7 19.8 -5.9 25.6 54 54 A L H 3> S+ 0 0 72 -35,-2.0 4,-2.7 1,-0.3 5,-0.2 0.797 108.7 57.1 -45.9 -42.0 17.3 -8.8 25.5 55 55 A R H 3> S+ 0 0 8 -36,-0.3 4,-1.4 -34,-0.3 -46,-0.5 0.844 109.5 46.3 -64.2 -30.8 15.7 -7.9 28.8 56 56 A A H <> S+ 0 0 0 -3,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.956 113.9 46.5 -74.1 -50.5 14.9 -4.4 27.6 57 57 A E H X S+ 0 0 59 -4,-1.9 4,-2.2 -6,-0.2 -2,-0.2 0.876 112.9 50.3 -59.2 -39.3 13.5 -5.6 24.2 58 58 A Q H X S+ 0 0 40 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.875 107.0 53.6 -68.8 -36.7 11.4 -8.3 25.9 59 59 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.923 109.2 50.8 -61.1 -40.4 10.0 -5.8 28.3 60 60 A L H X S+ 0 0 29 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.912 107.6 52.2 -61.7 -45.8 9.0 -3.8 25.2 61 61 A E H X S+ 0 0 114 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.960 111.1 47.0 -54.0 -55.1 7.3 -6.8 23.7 62 62 A E H >X S+ 0 0 22 -4,-2.5 3,-0.5 1,-0.2 4,-0.5 0.895 114.0 46.8 -54.9 -46.5 5.3 -7.4 26.8 63 63 A V H >X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 3,-2.0 0.936 107.8 55.9 -63.1 -47.4 4.3 -3.8 27.1 64 64 A G H 3< S+ 0 0 31 -4,-3.1 5,-0.3 1,-0.3 -1,-0.2 0.705 99.4 63.8 -58.7 -20.2 3.4 -3.6 23.4 65 65 A D H << S+ 0 0 108 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.725 116.3 26.1 -76.7 -22.5 1.0 -6.5 24.0 66 66 A C H << S+ 0 0 20 -3,-2.0 2,-0.4 -4,-0.5 -2,-0.2 0.653 121.6 51.4-112.3 -23.5 -1.1 -4.4 26.3 67 67 A L S < S- 0 0 6 -4,-2.6 2,-0.6 -5,-0.1 -1,-0.2 -0.942 89.3-109.3-120.1 137.3 -0.6 -0.9 25.2 68 68 A N + 0 0 150 -2,-0.4 -23,-0.6 -3,-0.1 -3,-0.1 -0.517 49.6 177.3 -66.4 111.3 -0.9 0.4 21.6 69 69 A L - 0 0 37 -2,-0.6 -23,-0.1 -5,-0.3 4,-0.1 -0.785 35.8 -82.5-116.3 160.7 2.7 1.1 20.6 70 70 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.199 37.8-120.3 -57.2 150.9 4.4 2.3 17.3 71 71 A S S S+ 0 0 134 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 0.912 97.9 45.4 -60.1 -41.7 5.0 -0.4 14.7 72 72 A S - 0 0 88 2,-0.0 2,-0.3 0, 0.0 -24,-0.2 -0.513 67.6-164.0-100.6 169.1 8.7 0.4 14.9 73 73 A A - 0 0 42 -2,-0.2 2,-0.6 -26,-0.1 -24,-0.2 -0.971 20.9-125.1-147.3 150.9 11.1 1.0 17.7 74 74 A E E -d 49 0A 41 -26,-2.9 -24,-2.4 -2,-0.3 2,-0.7 -0.913 16.9-149.7-107.4 115.0 14.5 2.5 17.8 75 75 A V E -d 50 0A 77 -2,-0.6 -24,-0.2 -26,-0.2 -26,-0.1 -0.763 18.2-164.4 -85.0 113.2 17.2 0.3 19.3 76 76 A L > - 0 0 13 -26,-2.2 3,-1.6 -2,-0.7 4,-0.1 -0.887 20.9-154.9-106.5 124.5 19.7 2.7 20.9 77 77 A P G > S+ 0 0 91 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.780 94.9 64.3 -64.8 -25.8 23.2 1.5 21.9 78 78 A E G 3 S+ 0 0 68 1,-0.2 10,-0.2 5,-0.1 -27,-0.1 0.388 87.4 71.7 -80.3 6.0 23.4 4.4 24.4 79 79 A L G < S+ 0 0 0 -3,-1.6 29,-0.4 -29,-0.2 -1,-0.2 0.381 72.9 108.2 -98.6 0.4 20.5 2.9 26.4 80 80 A T S X S- 0 0 28 -3,-1.2 3,-2.7 27,-0.1 28,-0.1 -0.256 95.4 -89.6 -69.4 166.0 22.6 -0.0 27.7 81 81 A P T 3 S+ 0 0 28 0, 0.0 30,-0.4 0, 0.0 -1,-0.1 0.835 131.2 41.0 -45.8 -40.0 23.6 0.0 31.4 82 82 A C T 3 S+ 0 0 123 28,-0.1 3,-0.1 2,-0.1 -3,-0.1 0.227 88.9 144.1 -95.4 12.4 26.8 2.0 30.6 83 83 A G < - 0 0 13 -3,-2.7 2,-1.0 1,-0.1 -5,-0.1 -0.048 60.9-103.7 -53.3 153.0 25.1 4.3 28.1 84 84 A D >> - 0 0 82 1,-0.2 4,-1.9 2,-0.0 3,-0.7 -0.704 26.4-161.1 -83.2 103.6 26.1 7.9 27.7 85 85 A V H 3> S+ 0 0 34 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.766 88.9 62.0 -56.9 -25.6 23.3 9.8 29.4 86 86 A G H 3> S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 105.4 43.6 -67.0 -44.4 24.4 12.9 27.5 87 87 A L H <> S+ 0 0 89 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.839 113.2 52.0 -70.0 -34.2 23.7 11.4 24.1 88 88 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.946 110.4 49.6 -65.5 -45.9 20.4 10.0 25.3 89 89 A S H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.909 112.5 46.7 -56.5 -46.3 19.5 13.5 26.5 90 90 A A H X S+ 0 0 49 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.854 109.3 54.0 -66.6 -36.4 20.5 15.0 23.2 91 91 A Y H X S+ 0 0 85 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.936 110.9 47.1 -63.7 -44.7 18.5 12.4 21.2 92 92 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.884 109.9 51.9 -64.5 -39.2 15.4 13.2 23.3 93 93 A Q H X S+ 0 0 66 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.890 107.8 54.5 -64.8 -37.5 15.9 17.0 22.8 94 94 A A H X S+ 0 0 57 -4,-2.2 4,-1.4 1,-0.2 3,-0.3 0.975 109.5 45.0 -58.6 -56.6 16.2 16.3 19.0 95 95 A L H X>S+ 0 0 7 -4,-2.2 5,-1.7 1,-0.2 4,-1.0 0.866 109.7 57.5 -56.3 -37.1 12.8 14.4 19.0 96 96 A T H ><5S+ 0 0 10 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.927 109.5 43.2 -59.8 -45.6 11.3 17.2 21.1 97 97 A N H 3<5S+ 0 0 100 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.683 106.6 63.8 -73.4 -17.7 12.3 19.8 18.5 98 98 A E H 3<5S- 0 0 125 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.724 121.0-106.5 -76.8 -23.4 11.0 17.5 15.8 99 99 A G T <<5 + 0 0 55 -4,-1.0 -3,-0.2 -3,-0.7 -2,-0.1 0.283 61.7 159.4 114.2 -8.7 7.5 17.7 17.2 100 100 A V < - 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