==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUL-12 4G60 . COMPND 2 MOLECULE: INOSITOL MONOPHOSPHATASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.BHATTACHARYYA,D.DUTTA,A.K.GHOSH,A.K.DAS . 515 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.2 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 . 26 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 2 0 2 4 0 3 3 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 PARALLEL BRIDGES PER LADDER . 4 2 0 6 0 2 4 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 2 0 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 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 T 0 0 86 0, 0.0 3,-0.1 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0-155.3 -24.6 16.0 40.7 2 3 A D + 0 0 149 1,-0.9 2,-0.2 0, 0.0 0, 0.0 -0.304 360.0 71.4 170.9 -58.7 -24.3 19.6 42.2 3 4 A K S S- 0 0 47 1,-0.1 -1,-0.9 4,-0.1 2,-0.1 -0.536 82.6-124.3 -67.3 145.0 -21.1 21.5 41.3 4 5 A T > - 0 0 73 -2,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.406 24.5-101.9 -82.9 168.6 -21.2 22.5 37.6 5 6 A L H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.879 125.9 54.3 -60.6 -35.5 -18.5 21.6 35.1 6 7 A Q H > S+ 0 0 162 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.951 109.9 47.4 -60.1 -46.3 -17.1 25.2 35.4 7 8 A Q H > S+ 0 0 99 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.934 116.7 42.3 -62.2 -46.8 -16.9 24.7 39.2 8 9 A I H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.956 113.7 51.2 -63.5 -53.3 -15.2 21.3 38.9 9 10 A D H X S+ 0 0 17 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.881 106.2 56.3 -49.5 -43.8 -12.9 22.3 36.1 10 11 A K H X S+ 0 0 149 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.953 110.5 43.6 -55.5 -50.9 -11.7 25.4 38.1 11 12 A L H X S+ 0 0 36 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.875 112.7 52.0 -67.3 -36.6 -10.6 23.2 41.0 12 13 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.960 109.8 49.9 -64.0 -46.3 -9.0 20.7 38.8 13 14 A C H X S+ 0 0 34 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.938 111.8 47.2 -58.3 -46.4 -7.0 23.4 37.0 14 15 A S H X S+ 0 0 60 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.878 111.0 52.2 -66.8 -33.7 -5.8 24.9 40.3 15 16 A W H X S+ 0 0 13 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.971 111.0 47.6 -58.0 -51.1 -4.9 21.4 41.5 16 17 A L H < S+ 0 0 5 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.898 110.2 53.5 -55.5 -42.5 -2.9 20.9 38.3 17 18 A K H >< S+ 0 0 157 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.910 109.3 46.6 -66.1 -41.2 -1.2 24.3 38.8 18 19 A Q H >< S+ 0 0 73 -4,-2.1 3,-2.3 1,-0.2 4,-0.4 0.790 95.3 73.6 -75.7 -21.7 -0.1 23.5 42.3 19 20 A I T 3X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.3 3,-0.5 0.626 83.9 74.7 -55.6 -10.0 1.3 20.0 41.3 20 21 A D T <4 S+ 0 0 61 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.561 91.7 50.3 -89.6 -6.5 4.0 22.2 39.7 21 22 A N T <4 S+ 0 0 140 -3,-2.3 4,-0.3 2,-0.1 -1,-0.2 0.500 115.0 46.0 -95.2 -7.2 5.5 22.9 43.2 22 23 A V T > S+ 0 0 24 -3,-0.5 4,-1.9 -4,-0.4 3,-0.3 0.839 102.2 58.1-102.2 -48.2 5.5 19.2 44.0 23 24 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.881 96.9 58.6 -62.8 -43.8 6.9 17.5 40.9 24 25 A P H > S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.898 111.9 42.4 -53.7 -43.3 10.4 19.2 40.7 25 26 A Q H > S+ 0 0 51 -3,-0.3 4,-2.5 -4,-0.3 -2,-0.2 0.899 111.2 54.6 -68.0 -42.8 11.3 18.0 44.2 26 27 A L H < S+ 0 0 31 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.1 0.897 108.3 50.0 -60.5 -38.1 9.9 14.5 43.6 27 28 A I H >< S+ 0 0 27 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.909 108.3 53.8 -63.9 -42.1 12.1 14.2 40.5 28 29 A M H 3< S+ 0 0 103 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.918 99.8 59.5 -56.9 -45.4 15.0 15.3 42.6 29 30 A E T 3< S+ 0 0 164 -4,-2.5 2,-0.4 1,-0.0 -1,-0.3 0.235 91.3 117.1 -69.0 21.6 14.3 12.5 45.2 30 31 A M < - 0 0 27 -3,-1.2 3,-0.1 -5,-0.2 2,-0.1 -0.990 70.0-111.6-143.3 120.9 14.9 10.2 42.2 31 32 A T - 0 0 109 -2,-0.4 2,-0.2 1,-0.2 3,-0.1 -0.608 27.2-101.3-139.9 -47.6 17.2 8.2 42.1 32 33 A T S S- 0 0 87 62,-0.1 -1,-0.2 -2,-0.1 0, 0.0 -0.197 82.0 -28.7 -84.3-109.2 19.6 8.4 40.3 33 34 A E - 0 0 63 -2,-0.2 2,-0.2 -3,-0.1 -2,-0.2 -0.241 67.0-127.7 -64.0 155.0 19.4 6.0 37.3 34 35 A T - 0 0 35 374,-0.1 -1,-0.1 60,-0.1 7,-0.0 -0.675 15.7-164.9 -99.0 160.3 17.4 2.7 37.5 35 36 A K + 0 0 112 -2,-0.2 2,-0.3 2,-0.1 373,-0.1 -0.401 58.2 99.6-137.6 63.7 18.4 -1.0 36.7 36 37 A R S S- 0 0 88 372,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.935 75.6-104.2-131.6 149.3 15.0 -2.8 36.5 37 38 A H > - 0 0 105 -2,-0.3 3,-2.7 1,-0.1 4,-0.2 -0.228 41.1 -84.5 -77.9 172.5 13.3 -3.5 33.2 38 39 A R T 3 S+ 0 0 62 393,-0.3 3,-0.4 1,-0.3 53,-0.1 0.703 127.3 48.0 -42.2 -33.0 10.3 -1.7 31.5 39 40 A F T 3 S+ 0 0 155 1,-0.2 -1,-0.3 52,-0.0 -2,-0.0 0.596 108.1 54.1 -89.5 -12.8 7.7 -3.8 33.5 40 41 A D S < S+ 0 0 97 -3,-2.7 2,-0.6 2,-0.0 -1,-0.2 0.070 78.9 106.0-117.7 21.7 9.3 -3.4 36.9 41 42 A L + 0 0 20 -3,-0.4 2,-0.3 -4,-0.2 53,-0.1 -0.898 27.4 159.3-117.8 109.9 9.6 0.3 37.5 42 43 A V - 0 0 87 -2,-0.6 -2,-0.0 1,-0.1 -3,-0.0 -0.865 19.0-162.2-110.6 160.9 7.5 2.5 39.8 43 44 A T - 0 0 23 -2,-0.3 -1,-0.1 -13,-0.0 -12,-0.1 0.761 30.5-122.4-110.1 -33.6 8.9 5.9 41.0 44 45 A N S > S+ 0 0 101 -14,-0.0 4,-1.6 0, 0.0 5,-0.1 0.166 104.1 86.5 86.1 -16.0 7.0 7.3 44.0 45 46 A V H > S+ 0 0 2 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.930 91.1 47.9 -67.0 -49.0 6.4 10.3 41.8 46 47 A D H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 113.0 47.8 -49.3 -53.1 3.4 8.3 40.6 47 48 A K H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 111.7 46.8 -65.2 -46.7 2.4 7.5 44.2 48 49 A Q H X S+ 0 0 36 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.903 111.5 50.8 -64.1 -42.0 2.6 11.0 45.6 49 50 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.918 113.5 46.9 -61.8 -44.3 0.7 12.6 42.7 50 51 A Q H X S+ 0 0 18 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.880 110.8 51.2 -62.9 -42.9 -2.1 10.0 43.2 51 52 A Q H X S+ 0 0 127 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.932 108.5 52.2 -61.1 -45.8 -2.2 10.4 46.9 52 53 A Q H X S+ 0 0 63 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.827 108.9 49.7 -62.9 -34.0 -2.5 14.2 46.5 53 54 A F H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.873 108.0 52.5 -70.1 -37.4 -5.4 13.8 44.2 54 55 A Q H X S+ 0 0 63 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.916 110.3 49.0 -65.9 -40.3 -7.2 11.4 46.5 55 56 A Q H X S+ 0 0 56 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.877 110.2 53.1 -59.2 -39.1 -6.7 14.1 49.2 56 57 A F H X S+ 0 0 11 -4,-1.7 4,-1.9 2,-0.2 5,-0.5 0.907 109.8 46.4 -62.5 -43.1 -8.1 16.6 46.6 57 58 A L H X S+ 0 0 8 -4,-2.9 4,-2.9 1,-0.2 7,-0.2 0.961 111.3 52.0 -66.9 -46.4 -11.2 14.4 46.1 58 59 A A H < S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 113.1 44.6 -55.4 -40.6 -11.8 14.0 49.8 59 60 A T H < S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.861 132.8 14.5 -73.5 -38.0 -11.6 17.8 50.5 60 61 A Y H < S+ 0 0 117 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.755 135.0 29.8-110.7 -34.9 -13.8 18.9 47.6 61 62 A F >< + 0 0 11 -4,-2.9 3,-2.2 -5,-0.5 -2,-0.1 -0.521 60.2 164.0-131.1 66.4 -15.7 16.0 46.2 62 63 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.701 76.7 54.9 -65.0 -22.6 -16.3 13.5 49.0 63 64 A E T 3 S+ 0 0 135 -6,-0.1 17,-0.3 2,-0.1 2,-0.2 0.530 91.5 100.2 -80.2 -11.4 -19.0 11.5 47.2 64 65 A H < - 0 0 25 -3,-2.2 2,-0.2 -7,-0.2 17,-0.2 -0.516 60.2-149.9 -81.6 146.5 -16.6 10.9 44.2 65 66 A Q E -a 81 0A 100 15,-2.4 17,-2.4 -2,-0.2 2,-0.4 -0.740 3.5-140.6-114.2 164.3 -14.6 7.7 43.6 66 67 A L E -a 82 0A 45 -2,-0.2 2,-0.5 15,-0.2 17,-0.2 -0.987 10.5-169.3-133.3 126.5 -11.3 7.0 42.0 67 68 A L E +a 83 0A 27 15,-2.6 17,-2.3 -2,-0.4 2,-0.3 -0.991 34.1 158.9-110.7 118.3 -10.2 4.2 39.7 68 69 A A E > -a 84 0A 6 -2,-0.5 3,-1.1 15,-0.2 17,-0.2 -0.966 51.5-116.7-148.0 155.0 -6.4 4.5 39.5 69 70 A E T 3 S+ 0 0 81 15,-1.2 -1,-0.1 -2,-0.3 16,-0.1 0.953 110.1 49.0 -59.2 -53.8 -3.2 2.5 38.6 70 71 A E T 3 0 0 62 1,-0.2 -1,-0.2 -24,-0.1 15,-0.0 0.201 360.0 360.0 -80.5 14.7 -1.5 2.7 42.0 71 72 A K < 0 0 115 -3,-1.1 -1,-0.2 -21,-0.0 -2,-0.2 0.457 360.0 360.0-123.7 360.0 -4.6 1.6 44.1 72 ! 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 73 76 A M 0 0 127 0, 0.0 3,-0.0 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 112.6 -14.8 -1.2 42.7 74 77 A I + 0 0 168 1,-0.0 2,-0.4 0, 0.0 0, 0.0 0.417 360.0 73.4-129.4 -12.5 -17.9 -2.9 44.0 75 78 A T - 0 0 67 1,-0.1 3,-0.3 0, 0.0 -1,-0.0 -0.899 55.2-160.0-115.2 138.1 -20.7 -0.9 42.3 76 79 A N S S+ 0 0 125 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.758 91.1 49.0 -71.3 -32.5 -21.8 -1.2 38.6 77 80 A E S S+ 0 0 150 33,-0.0 2,-0.3 32,-0.0 -1,-0.2 -0.373 70.6 171.2-123.9 47.9 -23.5 2.2 38.7 78 81 A I - 0 0 20 -3,-0.3 31,-0.4 -2,-0.2 32,-0.3 -0.426 22.3-153.1 -67.5 123.2 -21.2 4.7 40.2 79 82 A N S S+ 0 0 83 -2,-0.3 30,-2.4 1,-0.2 2,-0.5 0.923 81.8 26.3 -58.7 -51.7 -22.5 8.4 40.0 80 83 A H E S+ B 0 108A 19 -17,-0.3 -15,-2.4 28,-0.2 2,-0.4 -0.939 75.1 170.4-127.2 107.9 -19.3 10.2 40.1 81 84 A L E -aB 65 107A 5 26,-2.5 26,-3.1 -2,-0.5 2,-0.4 -0.957 16.3-168.5-127.0 132.4 -16.1 8.5 38.9 82 85 A W E -aB 66 106A 0 -17,-2.4 -15,-2.6 -2,-0.4 2,-0.5 -0.939 7.6-160.5-109.2 140.4 -12.6 9.7 38.2 83 86 A I E -aB 67 105A 0 22,-2.3 22,-1.8 -2,-0.4 2,-0.4 -0.996 18.6-172.1-117.7 128.7 -10.1 7.5 36.4 84 87 A M E -aB 68 104A 0 -17,-2.3 -15,-1.2 -2,-0.5 20,-0.2 -0.967 31.7-174.4-125.1 137.0 -6.4 8.5 36.9 85 88 A D E - B 0 103A 2 18,-2.2 18,-2.5 -2,-0.4 3,-0.3 -0.938 18.1-163.7-116.5 106.0 -3.0 7.6 35.6 86 89 A P E S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.786 82.5 12.5 -65.8 -28.7 -0.8 9.8 37.9 87 90 A I E - 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