==== 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 29-JUL-12 4GC3 . COMPND 2 MOLECULE: L-HISTIDINOL PHOSPHATE 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) . 11913.0 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 . 33 12.5 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 . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 30.4 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 1 0 1 0 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 0 2 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 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 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 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 0 154 0, 0.0 2,-0.2 0, 0.0 250,-0.1 0.000 360.0 360.0 360.0 149.7 -1.0 7.6 7.5 2 3 A L - 0 0 3 250,-0.1 250,-0.1 248,-0.1 240,-0.0 -0.473 360.0-104.5 -66.0 136.0 -1.0 4.8 4.9 3 4 A K - 0 0 73 -2,-0.2 2,-0.6 250,-0.1 -1,-0.1 -0.339 34.1-116.0 -56.5 139.4 -2.6 1.6 6.2 4 5 A K + 0 0 101 28,-0.2 30,-2.6 -3,-0.1 31,-1.4 -0.747 62.7 127.9 -81.0 118.9 0.1 -1.0 7.1 5 6 A L E -a 35 0A 5 -2,-0.6 2,-0.3 28,-0.2 31,-0.2 -0.961 53.4-134.2-157.8 170.9 -0.5 -3.9 4.7 6 7 A D E +a 36 0A 1 29,-1.1 31,-2.3 -2,-0.3 219,-0.2 -0.931 18.8 175.2-138.8 118.9 0.9 -6.4 2.2 7 8 A Y + 0 0 0 217,-2.8 218,-0.2 -2,-0.3 2,-0.2 -0.010 66.8 52.3-113.9 26.5 -1.1 -6.8 -1.0 8 9 A H + 0 0 0 216,-0.1 219,-2.8 70,-0.0 218,-0.9 -0.659 67.6 118.7-160.3 105.2 1.3 -9.2 -3.0 9 10 A F B -h 228 0B 0 28,-0.4 30,-2.3 218,-0.2 2,-0.4 -0.982 41.1-132.8-162.7 165.3 2.7 -12.4 -1.6 10 11 A H - 0 0 0 218,-2.6 2,-0.2 -2,-0.3 9,-0.1 -0.937 15.3-178.3-130.1 140.4 2.8 -16.1 -2.2 11 12 A S > - 0 0 0 -2,-0.4 3,-2.5 6,-0.1 6,-0.2 -0.578 57.5 -68.3-121.2-171.1 2.3 -19.2 -0.1 12 13 A H T 3 S+ 0 0 80 7,-2.9 5,-0.2 1,-0.3 8,-0.1 0.648 122.9 74.6 -61.0 -12.9 2.5 -22.9 -0.8 13 14 A F T 3 S+ 0 0 33 6,-0.2 41,-0.3 3,-0.1 -1,-0.3 0.775 85.1 79.1 -66.7 -24.6 -0.6 -22.6 -2.9 14 15 A S S X S- 0 0 2 -3,-2.5 3,-1.6 1,-0.1 39,-0.1 -0.615 91.8-124.0 -80.8 146.0 1.6 -21.0 -5.5 15 16 A A T 3 S+ 0 0 37 1,-0.3 -1,-0.1 -2,-0.2 35,-0.1 0.670 107.8 45.9 -67.9 -17.0 3.7 -23.4 -7.6 16 17 A D T 3 S+ 0 0 62 -5,-0.2 2,-0.3 35,-0.0 -1,-0.3 -0.007 102.0 73.4-117.3 27.9 6.9 -21.7 -6.6 17 18 A S < - 0 0 6 -3,-1.6 -6,-0.1 -6,-0.2 213,-0.1 -0.988 45.2-173.6-137.6 150.8 6.5 -21.3 -2.9 18 19 A E + 0 0 164 211,-0.5 -6,-0.2 -2,-0.3 2,-0.1 0.210 44.7 132.2-118.9 8.9 6.6 -23.7 0.1 19 20 A E - 0 0 30 210,-0.6 -7,-2.9 -9,-0.1 -6,-0.2 -0.366 60.0-118.8 -74.3 142.5 5.5 -21.3 2.8 20 21 A L >> - 0 0 85 -9,-0.2 4,-1.1 1,-0.1 3,-1.0 -0.641 18.1-137.2 -72.9 126.7 2.8 -22.1 5.3 21 22 A P H >> S+ 0 0 4 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.884 102.5 58.9 -51.9 -40.2 -0.1 -19.7 4.9 22 23 A R H 3> S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.845 98.5 59.0 -60.8 -33.1 -0.4 -19.3 8.7 23 24 A K H <> S+ 0 0 99 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.867 101.2 54.3 -66.3 -35.3 3.2 -18.1 8.9 24 25 A H H <>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.2 3,-0.5 0.929 111.9 46.0 -58.5 -46.2 2.0 -9.8 9.5 29 30 A I H ><5S+ 0 0 55 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.918 108.0 56.9 -64.6 -41.2 0.6 -9.5 13.0 30 31 A A H 3<5S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 110.3 45.4 -62.1 -24.2 4.0 -9.4 14.6 31 32 A H T <<5S- 0 0 71 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.181 119.1-107.8-107.5 15.5 4.9 -6.4 12.4 32 33 A G T < 5 + 0 0 46 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.714 55.7 166.1 72.8 23.8 1.6 -4.6 13.0 33 34 A L < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.2 -28,-0.2 -0.537 24.7-161.2 -71.6 137.4 -0.0 -5.0 9.6 34 35 A E S S+ 0 0 115 -30,-2.6 40,-2.3 1,-0.3 2,-0.3 0.739 73.2 13.7 -85.3 -28.8 -3.8 -4.2 9.6 35 36 A E E -ab 5 74A 7 -31,-1.4 -29,-1.1 38,-0.2 2,-0.3 -0.998 59.0-175.1-150.8 144.0 -4.6 -6.1 6.4 36 37 A I E -ab 6 75A 0 38,-2.2 40,-2.7 -2,-0.3 2,-0.4 -0.988 9.5-157.3-137.2 149.9 -3.0 -8.6 4.1 37 38 A C E - b 0 76A 0 -31,-2.3 -28,-0.4 -2,-0.3 40,-0.2 -0.962 15.9-139.9-127.8 114.0 -4.1 -10.1 0.8 38 39 A F E - b 0 77A 0 38,-1.9 40,-2.0 -2,-0.4 2,-0.2 -0.491 18.6-171.0 -61.2 136.1 -2.8 -13.5 -0.3 39 40 A T E - b 0 78A 0 -30,-2.3 40,-0.3 -2,-0.2 -1,-0.1 -0.590 7.7-172.5-134.8 74.3 -2.1 -13.3 -4.1 40 41 A E E - b 0 79A 0 38,-0.9 40,-2.8 -2,-0.2 2,-0.3 -0.266 27.8 -99.2 -71.7 153.1 -1.3 -16.7 -5.3 41 42 A H E + b 0 80A 10 38,-0.2 2,-0.4 11,-0.1 -26,-0.2 -0.513 37.7 170.2 -72.3 134.0 -0.1 -17.4 -8.9 42 43 A R E + b 0 81A 34 38,-2.1 40,-2.6 -2,-0.3 2,-0.4 -0.960 8.2 167.6-130.8 125.7 -2.3 -18.6 -11.7 43 44 A D E > -Cb 51 82A 6 8,-2.1 3,-1.0 -2,-0.4 8,-0.6 -0.933 29.6-133.5-135.6 112.2 -0.6 -18.5 -15.1 44 45 A F T 3 S- 0 0 28 38,-0.5 43,-0.1 -2,-0.4 8,-0.0 -0.428 81.8 -9.7 -70.1 133.9 -2.3 -20.2 -18.0 45 46 A Y T 3 S- 0 0 136 1,-0.2 -1,-0.3 -2,-0.2 5,-0.1 0.815 85.1-170.3 53.9 38.4 -0.1 -22.5 -20.2 46 47 A F X - 0 0 18 -3,-1.0 3,-0.8 1,-0.1 2,-0.2 -0.345 28.3-104.3 -65.9 137.5 3.0 -21.2 -18.6 47 48 A P T 3 S- 0 0 33 0, 0.0 -1,-0.1 0, 0.0 67,-0.0 -0.405 90.8 -9.3 -71.5 129.0 6.1 -22.3 -20.5 48 49 A G T 3 S+ 0 0 93 -2,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.276 126.4 57.0 81.4 -12.5 8.1 -25.1 -18.9 49 50 A M S < S- 0 0 84 -3,-0.8 2,-0.3 2,-0.0 -3,-0.1 -0.956 77.9-120.6-156.6 132.8 6.3 -25.1 -15.6 50 51 A D - 0 0 111 -2,-0.3 2,-0.2 -5,-0.1 -6,-0.1 -0.562 21.3-175.8 -71.4 127.1 2.7 -25.6 -14.3 51 52 A F B +C 43 0A 12 -8,-0.6 -8,-2.1 -2,-0.3 2,-0.2 -0.649 28.2 149.9-120.4 72.0 1.4 -22.6 -12.3 52 53 A S - 0 0 47 -2,-0.2 2,-0.4 -10,-0.2 -37,-0.2 -0.526 34.3-143.6 -98.9 169.2 -2.0 -23.9 -11.3 53 54 A L - 0 0 16 -2,-0.2 2,-1.2 -39,-0.1 -39,-0.1 -0.983 10.3-137.6-142.7 123.1 -4.0 -23.1 -8.2 54 55 A N > - 0 0 88 -2,-0.4 4,-2.8 -41,-0.3 5,-0.2 -0.668 22.5-173.2 -83.5 95.2 -6.2 -25.4 -6.1 55 56 A L H > S+ 0 0 28 -2,-1.2 4,-2.7 1,-0.2 5,-0.4 0.906 77.7 51.6 -63.9 -44.5 -9.2 -23.2 -5.5 56 57 A P H > S+ 0 0 96 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.941 117.0 40.1 -58.2 -43.8 -11.1 -25.4 -3.0 57 58 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.900 116.3 50.8 -72.1 -39.0 -8.0 -25.9 -0.8 58 59 A Y H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.969 114.4 41.7 -60.4 -54.1 -6.9 -22.3 -1.1 59 60 A F H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.907 113.7 53.3 -63.9 -38.8 -10.3 -20.8 -0.2 60 61 A Q H X S+ 0 0 112 -4,-1.9 4,-1.8 -5,-0.4 -1,-0.2 0.935 112.6 44.1 -62.5 -44.7 -10.8 -23.3 2.6 61 62 A E H X S+ 0 0 47 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.934 115.0 45.5 -69.0 -45.8 -7.5 -22.5 4.2 62 63 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.897 111.1 54.3 -68.8 -34.6 -7.7 -18.7 3.9 63 64 A N H X S+ 0 0 78 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.908 107.6 51.4 -58.6 -41.8 -11.3 -18.7 5.2 64 65 A Q H X S+ 0 0 118 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.915 110.6 47.7 -62.1 -42.5 -10.1 -20.7 8.2 65 66 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.875 107.0 57.3 -66.8 -37.9 -7.4 -18.1 8.8 66 67 A Q H < S+ 0 0 58 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.926 112.3 41.3 -55.1 -46.9 -9.8 -15.3 8.5 67 68 A A H >< S+ 0 0 76 -4,-2.0 3,-1.0 1,-0.2 4,-0.2 0.924 114.2 51.3 -69.6 -44.0 -12.0 -16.7 11.2 68 69 A E H 3< S+ 0 0 95 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.878 122.1 31.2 -60.5 -38.4 -9.0 -17.7 13.5 69 70 A F T >X S+ 0 0 7 -4,-2.4 3,-2.4 1,-0.2 4,-1.9 0.167 79.5 125.0-111.8 16.5 -7.5 -14.2 13.3 70 71 A K T <4 S+ 0 0 155 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.800 76.6 46.6 -44.9 -41.5 -10.6 -12.1 13.0 71 72 A D T 34 S+ 0 0 145 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.545 117.7 41.9 -84.6 -1.5 -9.8 -9.9 16.0 72 73 A K T <4 S- 0 0 137 -3,-2.4 2,-0.3 1,-0.4 -2,-0.2 0.714 119.3 -0.2-119.9 -29.8 -6.2 -9.3 15.0 73 74 A I < - 0 0 11 -4,-1.9 2,-0.5 -7,-0.2 -1,-0.4 -0.978 62.9-115.6-162.8 151.3 -5.9 -8.6 11.3 74 75 A K E -b 35 0A 112 -40,-2.3 -38,-2.2 -2,-0.3 2,-0.5 -0.859 32.1-163.9 -95.8 127.2 -8.0 -8.4 8.1 75 76 A I E -b 36 0A 6 -2,-0.5 2,-0.3 -40,-0.2 -38,-0.2 -0.954 4.5-168.1-118.6 130.2 -7.2 -11.1 5.6 76 77 A K E -b 37 0A 6 -40,-2.7 -38,-1.9 -2,-0.5 2,-0.7 -0.816 19.3-131.8-115.0 155.0 -8.3 -11.0 1.9 77 78 A I E +b 38 0A 4 -2,-0.3 24,-3.3 -40,-0.2 25,-0.6 -0.901 42.3 159.4-112.4 105.3 -8.2 -13.8 -0.6 78 79 A G E -bd 39 102A 0 -40,-2.0 -38,-0.9 -2,-0.7 2,-0.3 -0.446 29.0-132.0-123.0-166.9 -6.6 -12.7 -3.9 79 80 A L E -bd 40 103A 0 23,-1.8 25,-2.8 -40,-0.3 2,-0.7 -0.997 8.6-147.8-153.1 132.1 -4.9 -13.7 -7.1 80 81 A E E -bd 41 104A 0 -40,-2.8 -38,-2.1 -2,-0.3 2,-0.7 -0.932 29.2-163.0-101.1 109.5 -1.9 -12.8 -9.1 81 82 A M E -bd 42 105A 0 23,-3.0 25,-2.3 -2,-0.7 2,-0.4 -0.828 12.0-144.3-101.3 112.5 -3.0 -13.5 -12.7 82 83 A G E -bd 43 106A 7 -40,-2.6 -38,-0.5 -2,-0.7 2,-0.4 -0.620 26.4-143.3 -69.9 127.7 -0.4 -13.8 -15.3 83 84 A I + 0 0 6 23,-3.1 2,-0.3 -2,-0.4 26,-0.3 -0.826 33.8 159.9-105.2 135.0 -1.9 -12.3 -18.5 84 85 A D > - 0 0 21 -2,-0.4 3,-2.2 23,-0.1 7,-0.2 -0.920 33.7-142.9-143.0 121.4 -1.5 -13.4 -22.1 85 86 A L G > S+ 0 0 45 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.725 96.3 71.5 -64.6 -19.3 -4.2 -12.1 -24.4 86 87 A R G 3 S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.766 105.9 40.3 -61.9 -22.6 -4.2 -15.4 -26.3 87 88 A F G <> S+ 0 0 29 -3,-2.2 4,-2.7 1,-0.1 -1,-0.3 0.003 75.5 126.8-116.0 26.4 -5.9 -16.9 -23.3 88 89 A K H <> S+ 0 0 87 -3,-1.5 4,-2.7 1,-0.2 5,-0.2 0.877 73.6 51.5 -54.5 -43.7 -8.2 -14.1 -22.4 89 90 A S H > S+ 0 0 89 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 113.2 43.9 -59.4 -49.0 -11.3 -16.3 -22.3 90 91 A E H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 113.6 52.3 -63.5 -41.3 -9.7 -18.9 -19.9 91 92 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.938 111.2 45.1 -62.6 -48.1 -8.3 -16.1 -17.8 92 93 A N H X S+ 0 0 39 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.896 111.4 52.9 -65.9 -39.8 -11.7 -14.4 -17.3 93 94 A Q H < S+ 0 0 141 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.909 110.9 48.3 -59.8 -41.7 -13.4 -17.7 -16.7 94 95 A F H >< S+ 0 0 24 -4,-2.2 3,-1.5 2,-0.2 4,-0.3 0.952 112.0 47.1 -64.2 -50.8 -10.9 -18.4 -13.9 95 96 A I H >< S+ 0 0 2 -4,-2.6 3,-0.8 1,-0.3 5,-0.5 0.901 114.7 47.7 -56.8 -39.3 -11.2 -15.0 -12.3 96 97 A D T 3< S+ 0 0 113 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.452 94.8 79.5 -82.8 0.8 -15.0 -15.2 -12.4 97 98 A S T < S+ 0 0 69 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.575 99.4 22.9 -87.7 -10.5 -15.0 -18.8 -11.0 98 99 A A S < S- 0 0 24 -3,-0.8 2,-2.3 -4,-0.3 -1,-0.1 -0.974 90.5 -93.3-153.9 158.6 -14.5 -17.9 -7.3 99 100 A P + 0 0 104 0, 0.0 159,-0.2 0, 0.0 -22,-0.2 -0.330 51.0 176.9 -82.8 64.9 -15.0 -14.9 -5.0 100 101 A F - 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