==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-SEP-12 4GYF . 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 . 265 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.7 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 . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.6 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 0 136 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 146.8 11.6 2.8 -6.1 2 3 A L - 0 0 2 250,-0.1 250,-0.1 1,-0.1 240,-0.0 -0.739 360.0 -98.4 -93.5 146.1 12.9 6.4 -5.9 3 4 A K - 0 0 72 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.350 38.9-116.2 -57.2 140.2 15.5 7.7 -8.3 4 5 A K + 0 0 44 263,-0.2 30,-2.8 28,-0.2 31,-1.3 -0.753 62.6 131.5 -83.4 113.2 19.0 7.6 -6.8 5 6 A L E -a 35 0A 2 -2,-0.8 2,-0.3 28,-0.2 31,-0.2 -0.942 52.1-141.1-152.3 169.5 20.0 11.2 -6.5 6 7 A D E +a 36 0A 0 29,-1.1 31,-2.3 -2,-0.3 219,-0.2 -0.920 17.8 176.1-138.8 117.3 21.5 14.1 -4.5 7 8 A Y + 0 0 0 217,-3.0 218,-0.2 -2,-0.3 2,-0.2 -0.027 64.6 54.1-113.2 28.1 19.9 17.5 -5.1 8 9 A H + 0 0 0 216,-0.1 219,-2.7 70,-0.0 220,-0.7 -0.658 65.6 116.3-160.8 106.0 21.7 19.7 -2.6 9 10 A F B -g 228 0B 0 28,-0.4 30,-2.3 218,-0.2 2,-0.3 -0.983 40.3-132.9-165.9 165.4 25.5 20.0 -2.3 10 11 A H - 0 0 0 218,-2.3 2,-0.2 -2,-0.3 8,-0.1 -0.929 14.2-177.7-132.1 145.3 28.3 22.5 -2.6 11 12 A S > - 0 0 0 -2,-0.3 3,-2.4 6,-0.1 6,-0.3 -0.579 57.3 -66.0-126.1-169.9 31.7 22.8 -4.2 12 13 A H T 3 S+ 0 0 83 7,-2.7 5,-0.2 1,-0.3 8,-0.1 0.700 122.5 73.5 -59.1 -17.8 34.5 25.4 -4.3 13 14 A F T 3 S+ 0 0 23 6,-0.2 41,-0.3 3,-0.1 -1,-0.3 0.793 85.6 79.0 -65.1 -26.6 32.3 27.7 -6.3 14 15 A S S X S- 0 0 2 -3,-2.4 3,-1.5 1,-0.1 39,-0.1 -0.591 90.2-124.2 -80.8 147.6 30.4 28.3 -3.0 15 16 A A T 3 S+ 0 0 38 1,-0.3 -1,-0.1 -2,-0.2 35,-0.1 0.721 108.5 42.5 -67.5 -21.8 31.9 30.7 -0.5 16 17 A D T 3 S+ 0 0 28 -5,-0.1 2,-0.3 35,-0.0 -1,-0.3 0.082 106.1 70.0-113.3 19.9 31.9 28.1 2.3 17 18 A S < - 0 0 3 -3,-1.5 -6,-0.1 -6,-0.3 213,-0.1 -0.988 44.5-177.8-134.2 149.3 33.1 25.0 0.4 18 19 A E + 0 0 154 211,-0.5 -6,-0.2 -2,-0.3 2,-0.1 0.107 41.3 133.9-127.9 21.2 36.5 24.1 -1.2 19 20 A E - 0 0 23 210,-0.5 -7,-2.7 -9,-0.1 -6,-0.2 -0.412 59.6-112.3 -78.5 148.1 35.5 20.8 -2.7 20 21 A L >> - 0 0 94 -9,-0.2 4,-1.4 1,-0.1 3,-0.7 -0.638 16.3-141.9 -73.0 125.3 36.4 19.7 -6.3 21 22 A P H 3> S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.892 102.9 58.5 -51.5 -41.4 33.3 19.3 -8.5 22 23 A R H 3> S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.839 100.8 55.2 -59.4 -35.6 34.9 16.2 -10.0 23 24 A K H <> S+ 0 0 90 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.860 105.4 51.7 -69.7 -35.5 35.1 14.5 -6.6 24 25 A H H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.931 111.6 48.6 -58.8 -46.2 31.4 15.0 -6.1 25 26 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.937 113.0 45.2 -62.2 -47.2 30.8 13.4 -9.5 26 27 A T H X S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.876 112.8 50.8 -69.8 -33.7 33.0 10.4 -8.9 27 28 A E H X S+ 0 0 54 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.904 111.6 49.2 -64.9 -40.2 31.7 9.8 -5.4 28 29 A A H X>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.2 4,-1.3 0.931 112.3 47.0 -64.1 -44.6 28.1 9.9 -6.8 29 30 A I H <5S+ 0 0 39 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.914 108.8 55.2 -65.3 -41.2 29.1 7.5 -9.6 30 31 A A H <5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.870 110.9 44.9 -60.0 -36.8 30.8 5.1 -7.1 31 32 A H H <5S- 0 0 40 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.716 119.2-112.0 -79.3 -22.0 27.6 5.0 -5.0 32 33 A G T <5 + 0 0 26 -4,-1.3 -3,-0.2 -3,-0.3 -28,-0.2 0.698 52.4 168.5 97.7 24.0 25.4 4.5 -8.1 33 34 A L < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.1 -28,-0.2 -0.427 25.1-157.5 -67.3 144.1 23.5 7.8 -8.2 34 35 A E S S+ 0 0 81 -30,-2.8 40,-2.2 1,-0.3 2,-0.3 0.702 73.2 13.6 -92.8 -26.7 21.6 8.4 -11.5 35 36 A E E -ab 5 74A 1 -31,-1.3 -29,-1.1 38,-0.2 2,-0.3 -0.995 59.3-176.9-154.1 141.4 21.4 12.2 -11.2 36 37 A I E -ab 6 75A 0 38,-2.4 40,-2.8 -2,-0.3 2,-0.4 -0.984 10.6-155.2-138.2 151.2 22.9 15.0 -9.2 37 38 A C E - b 0 76A 0 -31,-2.3 -28,-0.4 -2,-0.3 40,-0.2 -0.957 14.2-140.3-129.4 115.2 22.4 18.7 -9.0 38 39 A F E - b 0 77A 0 38,-1.9 40,-2.3 -2,-0.4 2,-0.2 -0.499 18.3-171.5 -62.8 137.6 25.1 21.2 -7.9 39 40 A T E - b 0 78A 0 -30,-2.3 40,-0.3 -2,-0.2 -1,-0.1 -0.600 7.9-172.4-135.6 73.4 23.4 23.9 -5.8 40 41 A E E - b 0 79A 0 38,-0.9 40,-3.1 -2,-0.2 2,-0.3 -0.268 27.9 -97.9 -71.7 154.7 26.0 26.6 -5.1 41 42 A H E + b 0 80A 2 38,-0.2 2,-0.4 11,-0.1 -26,-0.2 -0.509 37.7 170.2 -74.1 133.2 25.3 29.4 -2.7 42 43 A R E + b 0 81A 40 38,-2.1 40,-2.7 -2,-0.3 2,-0.4 -0.961 9.2 164.3-129.0 126.2 24.2 32.9 -3.6 43 44 A D B > -H 51 0C 4 8,-1.9 3,-0.7 -2,-0.4 8,-0.5 -0.975 31.5-130.4-134.7 125.7 23.2 35.2 -0.7 44 45 A F T 3 S- 0 0 21 38,-0.5 43,-0.1 -2,-0.4 8,-0.0 -0.549 80.2 -11.9 -77.2 135.7 22.9 38.9 -1.2 45 46 A Y T 3 S- 0 0 131 -2,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.844 86.4-169.6 51.5 42.6 24.5 41.4 1.2 46 47 A F X - 0 0 18 -3,-0.7 3,-0.7 3,-0.2 2,-0.2 -0.383 25.2-105.7 -70.3 140.3 25.2 38.5 3.7 47 48 A P T 3 S- 0 0 33 0, 0.0 -1,-0.1 0, 0.0 66,-0.0 -0.464 92.7 -8.3 -69.1 129.6 26.4 39.5 7.1 48 49 A G T 3 S+ 0 0 90 -2,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.297 127.0 52.8 79.2 -8.9 30.1 38.9 7.8 49 50 A M S < S- 0 0 63 -3,-0.7 2,-0.8 2,-0.0 -3,-0.2 -0.965 76.2-121.1-164.8 137.5 30.8 36.9 4.6 50 51 A D - 0 0 109 -2,-0.3 2,-1.3 -35,-0.1 -6,-0.1 -0.724 18.5-172.4 -92.0 106.2 30.4 37.3 0.9 51 52 A F B +H 43 0C 0 -2,-0.8 -8,-1.9 -8,-0.5 2,-0.2 -0.556 30.1 152.7 -95.5 70.2 28.4 34.5 -0.8 52 53 A S - 0 0 53 -2,-1.3 2,-0.4 -10,-0.2 -37,-0.2 -0.547 32.0-148.3 -93.6 163.5 29.0 35.6 -4.3 53 54 A L - 0 0 15 -2,-0.2 2,-1.4 -39,-0.1 -39,-0.1 -0.979 10.9-140.7-142.0 121.7 29.0 33.1 -7.3 54 55 A N > - 0 0 80 -2,-0.4 4,-2.3 -41,-0.3 5,-0.2 -0.671 22.9-173.1 -83.8 92.4 31.1 33.4 -10.4 55 56 A L H > S+ 0 0 26 -2,-1.4 4,-2.7 1,-0.2 5,-0.3 0.865 76.3 51.7 -61.8 -43.9 28.4 32.2 -13.0 56 57 A P H > S+ 0 0 101 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.941 116.1 41.7 -58.3 -46.5 30.6 32.0 -16.1 57 58 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.846 114.5 51.9 -66.3 -38.9 33.2 29.8 -14.3 58 59 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.961 113.8 42.2 -64.6 -51.5 30.5 27.7 -12.6 59 60 A F H X S+ 0 0 26 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.907 113.2 54.0 -63.7 -40.2 28.6 27.0 -15.7 60 61 A Q H X S+ 0 0 127 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.947 111.4 44.1 -59.0 -50.0 31.8 26.3 -17.7 61 62 A E H X S+ 0 0 65 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.933 116.4 44.7 -64.1 -47.0 33.2 23.8 -15.2 62 63 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.892 109.8 56.5 -67.5 -35.4 29.9 21.9 -14.8 63 64 A N H X S+ 0 0 71 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.884 106.7 50.4 -60.1 -39.2 29.3 21.9 -18.6 64 65 A Q H X S+ 0 0 121 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.867 111.4 47.9 -64.5 -39.3 32.6 20.2 -19.1 65 66 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.866 107.1 56.7 -69.9 -37.0 31.7 17.6 -16.5 66 67 A Q H < S+ 0 0 56 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.928 111.3 43.4 -57.6 -44.7 28.3 17.0 -18.1 67 68 A A H >< S+ 0 0 70 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.921 115.0 48.9 -68.0 -44.3 30.0 16.2 -21.4 68 69 A E H 3< S+ 0 0 108 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.873 122.5 31.1 -63.7 -38.9 32.7 14.0 -19.8 69 70 A F T >X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 3,-2.3 0.203 79.8 125.7-110.5 15.8 30.3 11.9 -17.7 70 71 A K T <4 S+ 0 0 156 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 0.731 78.4 41.4 -43.6 -38.2 27.3 12.0 -20.0 71 72 A D T 34 S+ 0 0 159 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.477 118.0 45.9 -96.8 -1.4 26.9 8.3 -20.2 72 73 A K T <4 S- 0 0 136 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.760 121.3 -0.4-108.8 -37.2 27.6 7.6 -16.5 73 74 A I < - 0 0 9 -4,-2.4 2,-0.5 -7,-0.1 -1,-0.4 -0.996 63.2-117.6-156.9 149.1 25.5 10.1 -14.6 74 75 A K E -b 35 0A 110 -40,-2.2 -38,-2.4 -2,-0.3 2,-0.5 -0.820 32.4-165.1 -92.2 125.2 23.1 13.0 -15.3 75 76 A I E -b 36 0A 8 -2,-0.5 2,-0.3 -40,-0.2 -38,-0.2 -0.949 4.6-170.4-118.5 125.8 24.4 16.3 -13.9 76 77 A K E -b 37 0A 14 -40,-2.8 -38,-1.9 -2,-0.5 2,-0.6 -0.794 19.1-132.5-110.7 157.1 22.3 19.4 -13.4 77 78 A I E +b 38 0A 3 -2,-0.3 24,-3.5 -40,-0.2 25,-0.5 -0.932 40.6 157.0-114.2 112.8 23.4 23.0 -12.6 78 79 A G E -bc 39 102A 0 -40,-2.3 -38,-0.9 -2,-0.6 2,-0.3 -0.478 29.4-127.6-128.8-166.1 21.4 24.6 -9.8 79 80 A L E -bc 40 103A 0 23,-2.0 25,-2.9 -40,-0.3 2,-0.7 -1.000 7.7-147.6-151.5 135.3 21.4 27.2 -7.1 80 81 A E E -bc 41 104A 1 -40,-3.1 -38,-2.1 -2,-0.3 2,-0.7 -0.934 29.9-164.5-103.2 107.3 20.8 27.6 -3.4 81 82 A M E -bc 42 105A 0 23,-2.8 25,-2.3 -2,-0.7 2,-0.3 -0.817 12.8-144.0 -99.1 116.0 19.4 31.1 -3.1 82 83 A G E - c 0 106A 6 -40,-2.7 -38,-0.5 -2,-0.7 2,-0.4 -0.624 26.4-143.1 -73.1 131.0 19.3 32.7 0.3 83 84 A I + 0 0 6 23,-3.0 2,-0.3 -2,-0.3 26,-0.3 -0.845 32.2 163.1-108.6 134.8 16.1 34.8 0.4 84 85 A D > - 0 0 21 -2,-0.4 3,-1.9 23,-0.1 7,-0.2 -0.954 31.5-144.3-140.3 124.6 15.5 38.1 2.0 85 86 A L G > S+ 0 0 47 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.760 97.3 69.2 -66.5 -21.3 12.4 40.0 0.8 86 87 A R G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.784 107.7 38.9 -60.6 -26.2 14.2 43.3 1.1 87 88 A F G <> S+ 0 0 32 -3,-1.9 4,-2.7 1,-0.1 -1,-0.3 0.057 79.5 125.4-111.8 23.0 16.3 42.2 -1.9 88 89 A K H <> S+ 0 0 85 -3,-1.5 4,-2.9 1,-0.2 5,-0.2 0.872 73.1 47.0 -56.3 -46.2 13.6 40.5 -3.9 89 90 A S H > S+ 0 0 98 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 115.4 45.7 -64.0 -42.9 14.1 42.4 -7.1 90 91 A E H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.875 112.9 51.3 -67.3 -37.5 17.8 41.9 -7.1 91 92 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.938 110.3 48.8 -65.0 -46.2 17.4 38.3 -6.2 92 93 A N H X S+ 0 0 38 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.874 108.4 53.3 -62.4 -36.4 15.0 37.8 -9.1 93 94 A Q H X S+ 0 0 150 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.921 110.5 48.8 -63.8 -40.0 17.4 39.5 -11.5 94 95 A F H >< S+ 0 0 23 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.928 111.8 46.7 -63.5 -47.3 20.1 37.1 -10.4 95 96 A I H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.3 5,-0.4 0.900 113.5 49.6 -64.0 -38.6 18.0 34.0 -10.8 96 97 A D H 3< S+ 0 0 118 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.556 95.6 75.8 -77.0 -6.2 16.8 35.1 -14.2 97 98 A S T << S+ 0 0 74 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.620 100.0 31.1 -83.7 -14.6 20.4 35.9 -15.4 98 99 A A S < S- 0 0 19 -3,-0.9 2,-2.0 -4,-0.4 -1,-0.1 -0.978 85.9-105.8-144.2 154.2 21.5 32.3 -16.0 99 100 A P + 0 0 99 0, 0.0 159,-0.2 0, 0.0 -22,-0.2 -0.364 46.6 178.4 -83.6 63.1 19.8 29.0 -17.0 100 101 A F - 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