==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-06 2NMM . COMPND 2 MOLECULE: 14 KDA PHOSPHOHISTIDINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.P.KUZIN,M.ABASHIDZE,F.FOROUHAR,J.SEETHARAMAN,C.KENT,Y.FANG . 334 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 34 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 3 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 . 3 0 0 0 3 1 2 1 1 1 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 0 3 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 0 140 0, 0.0 2,-0.5 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 54.1 14.9 3.2 88.0 2 3 A V - 0 0 144 26,-0.1 2,-0.5 2,-0.0 26,-0.0 -0.765 360.0-151.4 -94.9 125.9 13.7 1.9 84.7 3 4 A A - 0 0 21 -2,-0.5 2,-0.7 26,-0.2 58,-0.1 -0.827 9.6-144.5 -98.3 128.4 15.0 3.3 81.3 4 5 A D > - 0 0 91 -2,-0.5 3,-1.2 1,-0.2 4,-0.4 -0.806 14.7-174.3 -99.3 111.5 12.6 3.2 78.3 5 6 A L G > S+ 0 0 22 -2,-0.7 3,-1.3 1,-0.3 -1,-0.2 0.784 80.5 72.1 -69.4 -28.8 14.2 2.5 74.9 6 7 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.3 3,-0.0 4,-0.1 0.640 96.1 56.0 -63.0 -12.1 11.0 3.1 73.0 7 8 A L G < S+ 0 0 138 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.667 88.0 81.6 -93.8 -21.6 11.5 6.8 73.9 8 9 A I S < S- 0 0 12 -3,-1.3 -1,-0.0 -4,-0.4 49,-0.0 -0.759 86.8-124.6 -86.4 115.8 15.0 7.2 72.4 9 10 A P - 0 0 61 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.317 8.4-139.3 -60.5 140.8 14.6 7.7 68.6 10 11 A D S S+ 0 0 59 1,-0.2 27,-4.0 26,-0.1 2,-0.5 0.916 88.4 33.0 -66.6 -43.0 16.5 5.2 66.5 11 12 A V E +a 37 0A 4 25,-0.2 2,-0.4 90,-0.2 -1,-0.2 -0.964 56.0 167.0-121.9 128.7 17.6 7.8 64.0 12 13 A D E +a 38 0A 70 25,-1.7 27,-1.5 -2,-0.5 2,-0.3 -0.883 26.6 155.0-137.4 99.8 18.4 11.5 64.7 13 14 A I E -a 39 0A 14 -2,-0.4 27,-0.2 25,-0.2 8,-0.1 -0.969 43.4-109.7-135.8 145.7 20.1 12.8 61.7 14 15 A D - 0 0 45 25,-1.4 5,-0.1 -2,-0.3 26,-0.0 -0.113 27.1-136.5 -63.4 170.8 20.6 16.3 60.1 15 16 A S S S+ 0 0 76 59,-0.0 61,-0.4 60,-0.0 -1,-0.1 0.266 73.1 45.7-123.0 19.3 18.8 17.0 56.8 16 17 A D S S- 0 0 97 59,-0.1 60,-0.3 60,-0.1 61,-0.2 0.780 97.8 -8.8-128.1 -47.6 20.9 18.8 54.2 17 18 A G S S- 0 0 16 58,-0.1 57,-2.1 1,-0.1 2,-0.5 -0.289 86.8 -34.0-131.4-143.0 24.5 17.8 53.4 18 19 A V E +B 73 0A 11 55,-0.2 2,-0.3 -2,-0.1 55,-0.2 -0.749 58.6 158.3 -92.7 130.0 27.4 15.7 54.3 19 20 A F E -B 72 0A 0 53,-1.7 53,-2.7 -2,-0.5 2,-0.2 -0.989 41.1-106.5-148.8 155.8 28.1 14.9 58.0 20 21 A K E -BC 71 40A 22 20,-0.6 20,-1.0 23,-0.4 2,-0.3 -0.558 40.2-176.7 -80.5 147.0 29.9 12.4 60.1 21 22 A Y E -BC 70 39A 0 49,-2.0 49,-2.2 18,-0.2 2,-0.3 -0.887 13.2-149.6-138.9 168.5 27.7 9.9 62.0 22 23 A V E -BC 69 38A 0 16,-2.6 16,-1.8 -2,-0.3 2,-0.6 -0.978 14.4-134.2-141.6 151.0 28.1 7.1 64.5 23 24 A L E - C 0 37A 2 45,-2.5 44,-3.0 -2,-0.3 2,-0.4 -0.945 34.1-175.2-107.4 114.6 26.2 3.9 65.3 24 25 A I E -BC 66 36A 0 12,-2.5 12,-3.8 -2,-0.6 2,-0.5 -0.899 20.9-145.5-117.9 142.0 25.8 3.6 69.0 25 26 A R E -BC 65 35A 93 40,-2.6 40,-1.0 -2,-0.4 2,-0.3 -0.916 15.9-156.1-105.8 123.3 24.3 0.9 71.2 26 27 A V E -BC 64 34A 0 8,-2.1 8,-1.3 -2,-0.5 2,-0.5 -0.775 5.0-150.8 -97.0 144.2 22.4 2.1 74.3 27 28 A H E -BC 63 33A 57 36,-2.0 36,-1.8 -2,-0.3 6,-0.2 -0.942 4.2-153.4-124.0 115.4 22.1 -0.2 77.3 28 29 A S - 0 0 11 4,-2.3 34,-0.1 -2,-0.5 33,-0.1 -0.138 34.7 -90.8 -71.4 172.5 19.1 -0.1 79.7 29 30 A A 0 0 53 32,-0.2 -26,-0.2 -28,-0.2 -1,-0.1 -0.658 360.0 360.0 -87.6 145.7 19.4 -1.2 83.3 30 31 A P 0 0 152 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.320 360.0 360.0 -56.5 360.0 18.6 -4.9 84.1 31 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 32 39 A E 0 0 138 0, 0.0 -4,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -13.7 17.0 -3.7 77.3 33 40 A S E + C 0 27A 43 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.916 360.0 147.0-164.6 137.2 19.2 -2.9 74.3 34 41 A K E - C 0 26A 38 -8,-1.3 -8,-2.1 -2,-0.3 2,-0.4 -0.961 37.7-106.6-157.0 170.8 19.3 -1.5 70.8 35 42 A E E - C 0 25A 49 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.862 30.2-161.6-109.7 141.8 21.4 0.5 68.3 36 43 A I E - C 0 24A 0 -12,-3.8 -12,-2.5 -2,-0.4 2,-0.4 -0.935 14.6-132.1-128.0 149.1 20.9 4.1 67.3 37 44 A V E +aC 11 23A 0 -27,-4.0 -25,-1.7 -2,-0.4 2,-0.3 -0.804 28.8 169.1 -98.0 131.7 21.9 6.4 64.5 38 45 A R E +aC 12 22A 9 -16,-1.8 -16,-2.6 -2,-0.4 2,-0.3 -0.968 4.5 153.9-146.0 125.2 23.3 9.8 65.2 39 46 A G E -aC 13 21A 0 -27,-1.5 -25,-1.4 -2,-0.3 2,-0.3 -0.948 12.3-177.1-155.5 133.3 25.0 12.3 62.9 40 47 A Y E > - C 0 20A 28 -20,-1.0 3,-0.9 -2,-0.3 -20,-0.6 -0.966 32.2-139.6-137.7 149.9 25.4 16.1 62.8 41 48 A K T 3 S+ 0 0 83 -2,-0.3 -1,-0.1 1,-0.2 -23,-0.1 0.663 99.1 68.5 -75.9 -16.4 26.8 18.8 60.7 42 49 A W T 3 S+ 0 0 137 2,-0.0 2,-0.6 -23,-0.0 -1,-0.2 0.559 81.1 92.2 -81.2 -6.8 28.2 20.7 63.7 43 50 A A < - 0 0 5 -3,-0.9 -23,-0.4 -23,-0.2 -3,-0.1 -0.791 48.5-172.2-100.3 124.0 30.8 18.0 64.6 44 51 A E S S+ 0 0 117 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.845 81.9 28.5 -71.4 -35.6 34.4 18.2 63.4 45 52 A Y S > S- 0 0 12 1,-0.1 4,-0.9 -25,-0.1 3,-0.5 -0.880 75.2-124.9-127.7 158.6 35.0 14.7 64.8 46 53 A H H >> S+ 0 0 7 -2,-0.3 4,-2.6 1,-0.2 3,-0.5 0.878 109.4 64.4 -68.1 -36.0 33.0 11.6 65.5 47 54 A A H 3> S+ 0 0 9 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.830 96.9 58.6 -56.0 -31.9 34.1 11.6 69.2 48 55 A D H 3> S+ 0 0 41 -3,-0.5 4,-2.2 2,-0.2 -1,-0.3 0.920 106.9 45.2 -65.9 -41.4 32.2 14.9 69.5 49 56 A I H < S+ 0 0 48 -4,-1.8 3,-0.8 1,-0.2 4,-0.2 0.890 109.1 59.0 -63.5 -38.2 22.3 12.6 76.9 57 64 A X H ><>S+ 0 0 14 -4,-2.6 5,-2.4 1,-0.3 3,-1.9 0.863 97.4 58.4 -60.4 -37.4 21.8 8.9 77.2 58 65 A Q H ><5S+ 0 0 146 -4,-1.3 3,-1.2 1,-0.3 -1,-0.3 0.811 99.5 59.3 -62.0 -29.8 23.1 8.9 80.8 59 66 A K T <<5S+ 0 0 146 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.503 107.7 46.5 -76.2 -4.2 20.3 11.3 81.6 60 67 A Q T < 5S- 0 0 100 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.243 125.1-103.8-116.7 6.4 18.0 8.6 80.4 61 68 A G T < 5S+ 0 0 46 -3,-1.2 2,-0.4 1,-0.3 -3,-0.2 0.872 76.2 140.8 72.8 37.0 19.7 5.9 82.4 62 69 A C < - 0 0 6 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.3 -0.938 44.9-143.7-121.0 140.4 21.4 4.5 79.3 63 70 A D E -B 27 0A 111 -36,-1.8 -36,-2.0 -2,-0.4 2,-0.4 -0.673 23.1-142.6 -93.0 147.8 24.9 3.2 78.8 64 71 A C E +B 26 0A 18 -2,-0.3 2,-0.3 -38,-0.2 -38,-0.2 -0.899 21.8 176.6-123.3 149.5 26.7 3.8 75.5 65 72 A E E -B 25 0A 102 -40,-1.0 -40,-2.6 -2,-0.4 2,-0.7 -0.964 25.8-136.0-146.6 124.3 29.0 2.0 73.2 66 73 A C E -B 24 0A 29 -2,-0.3 -42,-0.2 -42,-0.2 3,-0.1 -0.735 17.9-176.1 -85.0 115.2 30.3 3.3 69.8 67 74 A L E - 0 0 63 -44,-3.0 27,-0.3 -2,-0.7 2,-0.2 0.123 60.1 -64.7 -97.2 18.8 30.1 0.5 67.3 68 75 A G E - 0 0 0 -45,-0.2 -45,-2.5 25,-0.2 -1,-0.4 -0.599 51.0-137.2 124.0 174.3 31.7 2.5 64.5 69 76 A G E +Bd 22 92A 0 22,-2.0 24,-1.2 -47,-0.3 18,-0.5 -0.863 23.6 150.7-154.5-173.1 31.0 5.6 62.4 70 77 A G E -B 21 0A 0 -49,-2.2 -49,-2.0 16,-0.3 2,-0.4 -0.891 44.8 -56.2 173.2-141.5 31.2 7.1 58.9 71 78 A R E -BE 20 84A 28 13,-3.2 13,-3.0 -2,-0.3 2,-0.5 -0.994 26.9-154.5-140.5 146.3 29.3 9.7 56.8 72 79 A I E -BE 19 83A 0 -53,-2.7 -53,-1.7 -2,-0.4 2,-0.8 -0.964 5.4-157.2-119.8 126.9 25.8 10.4 55.7 73 80 A S E -BE 18 82A 18 9,-3.2 9,-2.1 -2,-0.5 2,-0.7 -0.872 14.7-168.8-103.9 101.9 25.0 12.3 52.5 74 81 A H E - E 0 81A 2 -57,-2.1 2,-0.7 -2,-0.8 7,-0.2 -0.835 10.5-178.2 -96.2 116.6 21.6 13.7 53.0 75 82 A Q E >> + E 0 80A 53 5,-3.5 5,-2.0 -2,-0.7 4,-0.7 -0.786 1.4 179.5-113.0 81.9 20.1 15.1 49.8 76 83 A S T 45S+ 0 0 54 -2,-0.7 3,-0.2 -61,-0.4 -1,-0.2 0.799 78.1 57.3 -52.0 -32.8 16.8 16.3 51.0 77 84 A Q T 45S+ 0 0 173 1,-0.2 -1,-0.2 -61,-0.2 -2,-0.0 0.955 114.5 32.1 -66.3 -55.5 16.0 17.6 47.5 78 85 A D T 45S- 0 0 92 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.316 110.1-118.7 -86.5 8.9 16.4 14.3 45.6 79 86 A K T <5 + 0 0 92 -4,-0.7 31,-2.1 -3,-0.2 2,-0.4 0.953 67.1 140.5 53.0 54.2 15.2 12.4 48.6 80 87 A K E < -Ef 75 110A 74 -5,-2.0 -5,-3.5 29,-0.2 2,-0.4 -0.987 34.5-175.1-133.2 142.0 18.4 10.5 48.9 81 88 A I E -Ef 74 111A 0 29,-1.8 31,-2.0 -2,-0.4 2,-0.4 -0.945 7.7-170.8-137.1 110.7 20.6 9.4 51.8 82 89 A H E -Ef 73 112A 59 -9,-2.1 -9,-3.2 -2,-0.4 2,-0.5 -0.877 4.3-162.2-105.6 135.1 23.9 7.7 51.2 83 90 A V E +Ef 72 113A 0 29,-2.2 31,-2.6 -2,-0.4 2,-0.2 -0.964 29.6 127.4-119.7 124.6 25.8 6.1 54.1 84 91 A Y E +E 71 0A 8 -13,-3.0 -13,-3.2 -2,-0.5 9,-0.1 -0.831 26.5 44.6-154.6-170.4 29.5 5.4 53.8 85 92 A G - 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