==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-AUG-12 4GK8 . COMPND 2 MOLECULE: HISTIDINOL-PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS SUBSP. LACTIS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,S.GHODGE,F.M.RAUSHEL,S.C.ALMO . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.0 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 . 2 0.8 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 . 20 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 1 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 2 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 . 2 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 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 S 0 0 152 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.9 11.5 2.9 -6.1 2 3 A L - 0 0 4 1,-0.1 250,-0.1 250,-0.1 240,-0.0 -0.454 360.0-102.1 -73.4 138.8 12.9 6.4 -5.7 3 4 A K - 0 0 74 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 -0.297 37.7-116.4 -52.0 136.6 15.5 7.7 -8.2 4 5 A K + 0 0 89 28,-0.2 30,-3.1 -3,-0.1 31,-1.4 -0.755 62.6 130.9 -82.2 113.5 19.0 7.6 -6.7 5 6 A L E -a 35 0A 4 -2,-0.8 2,-0.3 28,-0.2 31,-0.2 -0.927 52.1-139.9-152.6 170.4 20.1 11.2 -6.5 6 7 A D E +a 36 0A 2 29,-1.1 31,-2.2 -2,-0.3 219,-0.2 -0.918 18.0 175.9-141.0 118.7 21.5 14.1 -4.5 7 8 A Y + 0 0 0 217,-2.7 218,-0.2 -2,-0.3 2,-0.2 -0.013 64.4 53.5-116.5 27.5 19.9 17.5 -5.1 8 9 A H + 0 0 0 216,-0.1 219,-2.5 70,-0.0 220,-0.8 -0.692 66.4 116.8-160.9 105.9 21.8 19.7 -2.6 9 10 A F B -g 228 0B 0 28,-0.3 30,-2.4 218,-0.2 2,-0.3 -0.978 40.3-133.4-166.2 165.1 25.6 20.0 -2.3 10 11 A H - 0 0 0 218,-2.8 2,-0.2 -2,-0.3 9,-0.2 -0.932 13.3-176.4-132.6 144.7 28.4 22.5 -2.6 11 12 A S > - 0 0 0 -2,-0.3 3,-2.5 6,-0.1 6,-0.3 -0.588 57.7 -66.6-123.9-171.6 31.8 22.7 -4.2 12 13 A H T 3 S+ 0 0 83 7,-2.9 5,-0.2 1,-0.3 8,-0.1 0.690 123.0 73.8 -55.5 -17.7 34.7 25.3 -4.3 13 14 A F T 3 S+ 0 0 23 6,-0.2 41,-0.3 3,-0.1 -1,-0.3 0.803 85.4 78.8 -66.1 -25.9 32.3 27.6 -6.2 14 15 A S S X S- 0 0 2 -3,-2.5 3,-1.5 1,-0.1 39,-0.1 -0.595 90.1-123.9 -82.1 147.2 30.4 28.2 -3.0 15 16 A A T 3 S+ 0 0 35 1,-0.3 -1,-0.1 -2,-0.2 35,-0.1 0.724 108.5 42.1 -64.6 -23.8 31.9 30.6 -0.4 16 17 A D T 3 S+ 0 0 58 -5,-0.1 2,-0.3 35,-0.0 -1,-0.3 0.098 106.1 69.2-114.4 20.3 32.0 28.0 2.4 17 18 A S < - 0 0 3 -3,-1.5 -6,-0.1 -6,-0.3 213,-0.1 -0.984 44.1-177.7-133.6 149.0 33.2 24.9 0.4 18 19 A E + 0 0 156 211,-0.5 -6,-0.2 -2,-0.3 2,-0.1 0.114 42.1 133.2-127.0 20.6 36.5 24.1 -1.1 19 20 A E - 0 0 35 210,-0.5 -7,-2.9 -9,-0.2 -6,-0.2 -0.413 60.3-111.6 -77.5 147.7 35.6 20.7 -2.6 20 21 A L >> - 0 0 93 -9,-0.2 4,-1.3 1,-0.1 3,-0.6 -0.610 16.3-142.3 -72.0 126.6 36.5 19.6 -6.2 21 22 A P H 3> S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.903 102.4 59.1 -55.2 -39.5 33.3 19.2 -8.4 22 23 A R H 3> S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.853 100.7 55.7 -58.4 -35.7 34.9 16.1 -10.0 23 24 A K H <> S+ 0 0 98 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.857 103.9 52.2 -68.2 -35.8 35.1 14.5 -6.6 24 25 A H H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.916 112.4 48.3 -59.4 -42.6 31.3 14.9 -6.0 25 26 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.934 111.9 45.4 -66.2 -47.5 30.8 13.3 -9.3 26 27 A T H X S+ 0 0 67 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.844 114.3 49.8 -69.2 -32.6 33.1 10.3 -8.8 27 28 A E H X S+ 0 0 36 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.899 111.2 49.8 -67.4 -40.8 31.7 9.7 -5.4 28 29 A A H X>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 4,-0.9 0.910 112.3 47.4 -63.9 -42.9 28.2 9.8 -6.8 29 30 A I H ><5S+ 0 0 50 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.905 107.9 55.1 -67.6 -40.8 29.1 7.4 -9.5 30 31 A A H 3<5S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 110.3 46.8 -61.7 -32.9 30.7 5.0 -7.1 31 32 A H H 3<5S- 0 0 64 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.660 118.3-112.2 -80.5 -19.4 27.5 4.9 -5.0 32 33 A G T <<5 + 0 0 27 -4,-0.9 -3,-0.2 -3,-0.6 -28,-0.2 0.691 52.8 168.4 93.2 20.9 25.4 4.3 -8.1 33 34 A L < - 0 0 9 -5,-2.5 -28,-0.2 -6,-0.2 -1,-0.2 -0.404 25.3-156.7 -64.5 143.8 23.5 7.7 -8.1 34 35 A E S S+ 0 0 85 -30,-3.1 40,-2.2 1,-0.3 2,-0.3 0.723 72.4 11.8 -91.0 -28.1 21.6 8.3 -11.3 35 36 A E E -ab 5 74A 2 -31,-1.4 -29,-1.1 38,-0.2 2,-0.3 -0.996 59.2-174.8-154.1 141.4 21.4 12.1 -11.1 36 37 A I E -ab 6 75A 1 38,-2.5 40,-3.0 -2,-0.3 2,-0.4 -0.987 9.5-156.3-136.3 152.3 23.0 14.9 -9.2 37 38 A C E - b 0 76A 0 -31,-2.2 -28,-0.3 -2,-0.3 40,-0.2 -0.961 14.9-140.4-129.7 115.3 22.4 18.7 -9.0 38 39 A F E - b 0 77A 0 38,-1.9 40,-2.3 -2,-0.4 -28,-0.2 -0.494 18.0-170.7 -61.7 137.4 25.1 21.1 -7.9 39 40 A T E - b 0 78A 0 -30,-2.4 40,-0.3 -2,-0.2 -1,-0.1 -0.558 8.8-172.7-135.2 72.0 23.5 23.8 -5.8 40 41 A E E - b 0 79A 0 38,-0.9 40,-2.9 -2,-0.2 2,-0.3 -0.229 27.9 -95.2 -69.3 154.7 26.1 26.5 -5.1 41 42 A H E + b 0 80A 9 38,-0.2 2,-0.3 11,-0.1 -26,-0.2 -0.501 38.7 168.5 -72.3 131.3 25.5 29.4 -2.7 42 43 A R E + b 0 81A 40 38,-2.0 40,-2.8 -2,-0.3 2,-0.4 -0.962 9.1 161.7-129.0 127.2 24.3 32.8 -3.6 43 44 A D B > -H 51 0C 5 8,-1.9 3,-0.7 -2,-0.3 8,-0.6 -0.972 32.9-130.3-136.6 126.3 23.2 35.1 -0.7 44 45 A F T 3 S- 0 0 21 38,-0.4 43,-0.1 -2,-0.4 8,-0.0 -0.578 80.6 -11.5 -80.2 136.8 23.0 38.9 -1.2 45 46 A Y T 3 S- 0 0 129 -2,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.834 87.0-168.8 50.2 41.0 24.7 41.3 1.2 46 47 A F X - 0 0 18 -3,-0.7 3,-0.5 1,-0.1 2,-0.3 -0.342 24.8-105.8 -67.1 140.2 25.3 38.5 3.6 47 48 A P T 3 S- 0 0 30 0, 0.0 -1,-0.1 0, 0.0 66,-0.0 -0.497 91.7 -8.0 -71.2 127.5 26.4 39.5 7.1 48 49 A G T 3 S+ 0 0 92 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.247 128.4 46.6 82.6 -13.0 30.1 38.8 7.9 49 50 A M S < S- 0 0 82 -3,-0.5 2,-0.5 2,-0.0 -3,-0.1 -0.927 78.5-119.3-165.5 133.8 31.0 36.9 4.8 50 51 A D - 0 0 101 -2,-0.3 2,-0.9 -5,-0.1 -6,-0.1 -0.647 16.9-167.8 -85.3 120.2 30.4 37.3 1.0 51 52 A F B +H 43 0C 12 -8,-0.6 -8,-1.9 -2,-0.5 2,-0.2 -0.667 30.8 155.1-103.9 75.8 28.4 34.5 -0.7 52 53 A S - 0 0 56 -2,-0.9 2,-0.4 -10,-0.2 -37,-0.2 -0.580 30.1-147.9 -99.7 164.0 29.1 35.4 -4.3 53 54 A L - 0 0 17 -2,-0.2 2,-1.3 -39,-0.1 -39,-0.1 -0.979 10.7-142.6-142.4 122.4 29.1 33.1 -7.3 54 55 A N > - 0 0 79 -2,-0.4 4,-2.5 -41,-0.3 5,-0.2 -0.687 22.0-174.4 -84.4 91.7 31.2 33.2 -10.4 55 56 A L H > S+ 0 0 27 -2,-1.3 4,-2.6 1,-0.2 5,-0.3 0.870 77.2 51.6 -61.4 -44.7 28.6 32.1 -13.0 56 57 A P H > S+ 0 0 101 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.956 116.4 41.3 -54.9 -50.1 30.8 31.9 -16.1 57 58 A E H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.870 115.2 51.2 -63.5 -41.8 33.3 29.7 -14.2 58 59 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.969 113.7 42.5 -62.2 -55.0 30.7 27.6 -12.5 59 60 A F H X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.865 113.0 53.8 -62.2 -37.7 28.8 26.8 -15.7 60 61 A Q H X S+ 0 0 139 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.946 110.6 45.4 -64.6 -46.9 31.9 26.1 -17.6 61 62 A E H X S+ 0 0 62 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.937 117.3 42.3 -62.9 -48.6 33.3 23.6 -15.1 62 63 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.895 110.2 57.7 -69.0 -35.9 30.0 21.7 -14.7 63 64 A N H X S+ 0 0 78 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.885 106.7 49.9 -58.8 -39.9 29.3 21.8 -18.5 64 65 A Q H X S+ 0 0 134 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.891 111.1 48.5 -63.4 -41.0 32.7 20.1 -19.0 65 66 A L H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.892 106.5 56.8 -68.2 -37.3 31.8 17.4 -16.4 66 67 A Q H < S+ 0 0 54 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.908 111.2 44.3 -56.9 -41.4 28.3 16.9 -18.0 67 68 A A H >< S+ 0 0 75 -4,-1.6 3,-0.8 -5,-0.2 4,-0.2 0.947 115.3 46.6 -70.2 -47.7 30.1 16.1 -21.3 68 69 A E H 3< S+ 0 0 108 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.878 123.2 32.7 -62.1 -40.1 32.8 13.8 -19.8 69 70 A F T >X S+ 0 0 15 -4,-2.8 3,-2.3 1,-0.2 4,-2.2 0.220 80.0 121.4-108.0 15.9 30.4 11.8 -17.6 70 71 A K T <4 S+ 0 0 159 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.789 76.6 47.1 -46.1 -42.6 27.3 11.9 -19.9 71 72 A D T 34 S+ 0 0 159 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.514 117.9 40.6 -82.7 -4.6 27.1 8.1 -20.2 72 73 A K T <4 S+ 0 0 145 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.719 120.7 5.0-117.4 -31.3 27.5 7.4 -16.5 73 74 A I < - 0 0 9 -4,-2.2 2,-0.6 -7,-0.1 -1,-0.4 -0.988 64.0-118.4-158.5 146.9 25.4 10.0 -14.5 74 75 A K E -b 35 0A 93 -40,-2.2 -38,-2.5 -2,-0.3 2,-0.5 -0.820 32.9-164.4 -90.5 122.8 23.0 12.9 -15.2 75 76 A I E -b 36 0A 9 -2,-0.6 2,-0.3 -40,-0.2 -38,-0.2 -0.944 5.8-171.0-116.9 126.9 24.4 16.2 -13.9 76 77 A K E -b 37 0A 11 -40,-3.0 -38,-1.9 -2,-0.5 2,-0.6 -0.787 19.0-134.2-112.3 157.1 22.3 19.3 -13.4 77 78 A I E +b 38 0A 3 -2,-0.3 24,-3.2 -40,-0.2 25,-0.5 -0.930 40.9 155.9-116.1 108.6 23.5 22.9 -12.5 78 79 A G E -bc 39 102A 0 -40,-2.3 -38,-0.9 -2,-0.6 2,-0.3 -0.444 30.3-125.8-126.9-162.8 21.5 24.5 -9.8 79 80 A L E -bc 40 103A 0 23,-1.8 25,-2.8 -40,-0.3 2,-0.7 -0.999 7.9-147.4-153.7 132.3 21.5 27.1 -7.1 80 81 A E E -bc 41 104A 1 -40,-2.9 -38,-2.0 -2,-0.3 2,-0.6 -0.923 31.0-164.4-101.9 107.2 20.9 27.5 -3.4 81 82 A M E -bc 42 105A 0 23,-3.0 25,-2.1 -2,-0.7 2,-0.4 -0.820 12.6-144.1 -99.4 115.2 19.5 31.0 -3.2 82 83 A G E - c 0 106A 7 -40,-2.8 -38,-0.4 -2,-0.6 2,-0.4 -0.632 25.9-144.1 -73.6 130.6 19.4 32.6 0.3 83 84 A I + 0 0 5 23,-3.0 2,-0.3 -2,-0.4 26,-0.3 -0.846 31.8 162.7-108.6 134.9 16.2 34.7 0.3 84 85 A D > - 0 0 20 -2,-0.4 3,-2.1 23,-0.1 7,-0.2 -0.950 32.1-143.3-141.1 124.6 15.5 38.1 2.0 85 86 A L G > S+ 0 0 48 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 0.748 97.0 70.8 -64.2 -23.8 12.4 39.9 0.7 86 87 A R G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.771 107.5 38.1 -59.3 -24.8 14.3 43.3 1.1 87 88 A F G <> S+ 0 0 31 -3,-2.1 4,-2.7 1,-0.1 -1,-0.3 0.059 78.7 127.3-114.8 23.6 16.4 42.2 -2.0 88 89 A K H <> S+ 0 0 86 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.869 74.0 45.5 -53.5 -47.7 13.6 40.4 -4.0 89 90 A S H > S+ 0 0 98 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 115.0 47.7 -67.7 -39.6 14.1 42.3 -7.3 90 91 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 112.4 50.7 -64.0 -38.7 17.9 41.9 -7.1 91 92 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.936 109.8 49.5 -64.4 -46.0 17.5 38.2 -6.3 92 93 A N H X S+ 0 0 39 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.893 108.3 53.3 -62.2 -38.3 15.1 37.7 -9.2 93 94 A Q H X S+ 0 0 149 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.929 111.1 47.5 -60.9 -43.3 17.6 39.5 -11.6 94 95 A F H >< S+ 0 0 24 -4,-2.0 3,-1.0 2,-0.2 4,-0.4 0.939 112.3 47.5 -62.6 -48.2 20.3 37.1 -10.5 95 96 A I H >< S+ 0 0 2 -4,-2.7 3,-0.9 1,-0.3 5,-0.5 0.915 114.1 47.9 -61.7 -40.0 18.1 33.9 -10.8 96 97 A D H 3< S+ 0 0 116 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.566 95.5 77.3 -77.0 -8.4 17.0 35.0 -14.3 97 98 A S T << S+ 0 0 74 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.627 100.3 30.0 -77.9 -16.2 20.6 35.8 -15.4 98 99 A A S < S- 0 0 17 -3,-0.9 2,-2.1 -4,-0.4 -1,-0.0 -0.973 87.2-104.8-145.1 153.8 21.6 32.2 -16.0 99 100 A P + 0 0 98 0, 0.0 159,-0.2 0, 0.0 -22,-0.2 -0.394 46.4 179.8 -83.3 64.4 19.9 28.9 -17.1 100 101 A F - 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