==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-00 1G0I . COMPND 2 MOLECULE: INOSITOL MONOPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR K.A.JOHNSON,L.CHEN,H.YANG,M.F.ROBERTS,B.STEC . 504 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 19.4 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 . 7 1.4 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 . 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 . 51 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 23.0 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 0 2 0 3 0 1 2 0 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 7 2 0 4 1 1 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 1 1 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 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 1 A M 0 0 158 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 146.4 3.2 4.9 24.3 2 2 A K >> - 0 0 128 1,-0.1 4,-2.1 2,-0.0 3,-0.8 -0.480 360.0-130.4 -67.2 131.4 3.5 8.7 24.1 3 3 A W H 3> S+ 0 0 33 1,-0.3 4,-3.9 2,-0.2 5,-0.2 0.871 107.9 58.0 -41.7 -53.4 6.6 9.8 26.1 4 4 A D H 3> S+ 0 0 23 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.880 106.9 48.5 -52.0 -41.9 4.5 12.4 27.9 5 5 A E H <> S+ 0 0 80 -3,-0.8 4,-2.8 1,-0.2 -1,-0.3 0.938 112.7 47.8 -65.1 -41.8 2.3 9.6 29.1 6 6 A I H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.908 112.1 50.3 -63.7 -39.3 5.4 7.7 30.2 7 7 A G H X S+ 0 0 0 -4,-3.9 4,-2.0 -5,-0.2 -2,-0.2 0.947 112.7 45.5 -63.4 -46.6 6.8 10.8 31.9 8 8 A K H X S+ 0 0 50 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.944 110.0 55.7 -62.5 -46.0 3.6 11.4 33.8 9 9 A N H X S+ 0 0 69 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.925 108.2 46.3 -50.3 -52.0 3.2 7.8 34.7 10 10 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.944 110.3 55.5 -60.5 -45.2 6.7 7.6 36.4 11 11 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.936 106.7 48.1 -49.6 -59.0 6.0 10.9 38.2 12 12 A K H X S+ 0 0 109 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.915 111.0 51.2 -52.9 -48.8 2.8 9.6 39.8 13 13 A E H X S+ 0 0 59 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.938 110.7 49.6 -52.6 -50.1 4.5 6.4 40.9 14 14 A I H < S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 5,-0.3 0.923 113.7 44.6 -54.9 -49.5 7.3 8.5 42.5 15 15 A E H >X S+ 0 0 40 -4,-2.7 4,-1.4 1,-0.2 3,-0.9 0.857 107.7 60.6 -65.5 -35.4 4.9 10.7 44.3 16 16 A K H 3< S+ 0 0 126 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.863 115.9 31.6 -57.0 -38.0 2.8 7.7 45.4 17 17 A E T 3< S+ 0 0 106 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.094 126.2 31.3-117.6 21.9 5.8 6.3 47.3 18 18 A I T <> S+ 0 0 1 -3,-0.9 4,-0.6 -4,-0.2 3,-0.2 0.441 89.7 84.1-148.6 -12.8 7.9 9.1 48.6 19 19 A L T >< S+ 0 0 49 -4,-1.4 3,-2.1 -5,-0.3 -3,-0.1 0.936 90.2 59.3 -60.6 -41.2 5.6 12.1 49.3 20 20 A P T 34 S+ 0 0 99 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.894 99.9 59.1 -40.8 -47.5 5.0 10.4 52.7 21 21 A Y T >4 S+ 0 0 50 -3,-0.2 3,-1.0 2,-0.1 -2,-0.2 0.650 79.3 129.7 -54.5 -23.4 8.7 10.7 53.3 22 22 A F T << S- 0 0 36 -3,-2.1 2,-0.5 -4,-0.6 68,-0.2 -0.101 81.5 -7.6 -50.0 127.7 8.6 14.5 52.9 23 23 A G T 3 S+ 0 0 29 66,-2.3 2,-3.3 1,-0.2 -1,-0.2 -0.083 93.1 124.8 82.1 -33.7 10.3 16.4 55.6 24 24 A R <> + 0 0 100 -3,-1.0 4,-0.7 -2,-0.5 3,-0.5 -0.250 31.0 172.2 -57.9 63.7 11.0 13.3 57.7 25 25 A K T 4 + 0 0 103 -2,-3.3 -1,-0.2 65,-0.3 65,-0.1 0.614 70.0 63.0 -55.2 -15.6 14.7 14.0 57.9 26 26 A D T 4 S+ 0 0 93 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.981 96.2 52.2 -70.4 -60.3 15.0 11.1 60.4 27 27 A K T 4 S+ 0 0 131 -3,-0.5 2,-0.2 -6,-0.1 -1,-0.2 0.618 102.7 74.1 -58.4 -15.1 13.8 8.2 58.3 28 28 A S < + 0 0 10 -4,-0.7 2,-0.3 62,-0.1 13,-0.0 -0.670 53.9 164.6-104.8 165.3 16.3 9.0 55.6 29 29 A Y - 0 0 141 -2,-0.2 13,-1.6 11,-0.0 14,-0.1 -0.945 43.8 -77.5-169.6 150.3 20.1 8.6 55.3 30 30 A V E +A 41 0A 53 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.158 39.0 175.0 -55.0 146.4 23.0 8.6 52.8 31 31 A V E - 0 0 72 9,-4.2 2,-0.3 1,-0.5 10,-0.2 0.517 57.6 -17.5-131.6 -25.2 23.3 5.4 50.8 32 32 A G E -A 40 0A 29 8,-1.5 8,-4.1 2,-0.0 2,-0.5 -0.978 64.2 -95.7-169.2 174.8 26.0 6.1 48.3 33 33 A T E -A 39 0A 108 -2,-0.3 6,-0.3 6,-0.3 5,-0.2 -0.947 38.7-131.3-108.4 125.9 28.2 8.7 46.5 34 34 A S > - 0 0 1 4,-3.8 3,-2.2 -2,-0.5 32,-0.1 -0.361 22.2-113.8 -70.5 153.7 27.0 9.8 43.1 35 35 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.830 121.1 58.7 -58.0 -34.3 29.4 9.9 40.1 36 36 A S T 3 S- 0 0 16 29,-0.5 2,-0.1 194,-0.2 197,-0.1 0.708 126.8-107.2 -63.6 -21.2 29.1 13.7 40.1 37 37 A G S < S+ 0 0 35 -3,-2.2 -3,-0.2 1,-0.3 -1,-0.1 -0.597 78.0 126.6 128.9 -64.0 30.3 13.4 43.7 38 38 A D - 0 0 77 -5,-0.2 -4,-3.8 1,-0.2 2,-0.5 0.504 65.6-100.7 -20.3 156.6 27.1 14.1 45.7 39 39 A E E -A 33 0A 121 -6,-0.3 2,-0.5 -8,-0.0 -6,-0.3 -0.802 29.6-137.6 -95.4 125.5 25.7 11.8 48.4 40 40 A T E -A 32 0A 12 -8,-4.1 -9,-4.2 -2,-0.5 -8,-1.5 -0.729 19.3-160.8 -86.4 127.0 22.8 9.6 47.4 41 41 A E E >> -A 30 0A 50 -2,-0.5 3,-2.7 -11,-0.3 4,-1.0 -0.924 30.1-108.3-114.9 137.3 20.1 9.3 49.9 42 42 A I H 3> S+ 0 0 21 -13,-1.6 4,-1.8 -2,-0.4 5,-0.1 0.626 117.4 54.0 -26.6 -44.3 17.5 6.6 50.1 43 43 A F H 3> S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.944 111.0 48.4 -67.3 -39.4 14.6 8.7 48.9 44 44 A D H X> S+ 0 0 5 -3,-2.7 4,-2.6 1,-0.2 3,-0.7 0.985 113.7 43.8 -56.5 -64.4 16.6 9.6 45.9 45 45 A K H 3X S+ 0 0 68 -4,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.739 111.7 56.2 -56.8 -23.6 17.6 6.0 45.1 46 46 A I H 3< S+ 0 0 52 -4,-1.8 4,-0.4 -5,-0.3 -1,-0.2 0.908 111.0 43.3 -73.3 -40.3 14.0 5.0 45.8 47 47 A S H XX S+ 0 0 0 -4,-1.9 4,-1.7 -3,-0.7 3,-0.7 0.882 116.7 44.6 -65.8 -54.3 12.7 7.5 43.2 48 48 A E H 3X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.922 108.2 59.8 -57.2 -47.2 15.4 6.7 40.5 49 49 A D H 3< S+ 0 0 77 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.719 107.1 46.7 -58.8 -23.2 14.9 3.0 41.2 50 50 A I H <> S+ 0 0 19 -3,-0.7 4,-0.8 -4,-0.4 -1,-0.3 0.787 109.4 54.5 -88.8 -33.1 11.3 3.5 40.1 51 51 A A H >X S+ 0 0 0 -4,-1.7 3,-2.7 1,-0.2 4,-1.5 0.999 106.0 49.6 -57.5 -65.5 12.2 5.5 37.1 52 52 A L H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.751 98.8 69.7 -48.9 -29.9 14.5 2.8 35.6 53 53 A K H 34 S+ 0 0 114 -4,-0.5 3,-0.4 -5,-0.3 -1,-0.3 0.903 111.6 30.7 -52.6 -41.7 11.8 0.2 36.2 54 54 A Y H << S+ 0 0 59 -3,-2.7 4,-0.3 -4,-0.8 3,-0.2 0.793 121.2 51.0 -89.5 -30.6 9.9 1.9 33.4 55 55 A L S < S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 -0.156 97.9 63.9-104.7 33.8 12.8 3.2 31.3 56 56 A K S S+ 0 0 102 -3,-0.4 3,-0.3 -5,-0.2 -1,-0.2 0.539 97.4 53.9-126.1 -19.4 14.8 0.0 30.9 57 57 A S S S+ 0 0 101 -4,-0.3 -2,-0.1 -3,-0.2 -3,-0.1 0.688 97.9 66.5 -81.0 -25.2 12.3 -2.0 29.0 58 58 A L S S- 0 0 74 -4,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.636 99.7-139.7 -68.7 -14.6 12.1 0.8 26.5 59 59 A N + 0 0 102 -3,-0.3 2,-0.2 1,-0.2 -3,-0.1 0.749 53.1 144.3 52.9 30.8 15.8 -0.1 25.7 60 60 A V - 0 0 7 -5,-0.1 -1,-0.2 1,-0.1 17,-0.2 -0.539 61.0 -92.9 -88.1 158.5 16.4 3.7 25.5 61 61 A N E -b 77 0B 26 15,-2.3 17,-3.2 -2,-0.2 2,-0.4 -0.431 46.6-158.1 -63.4 144.8 19.6 5.4 26.6 62 62 A I E +bC 78 70B 3 8,-2.4 8,-4.1 15,-0.2 2,-0.4 -0.994 18.5 177.0-138.6 140.0 19.3 6.5 30.2 63 63 A V E +bC 79 69B 5 15,-2.5 17,-2.5 -2,-0.4 2,-0.3 -0.927 15.0 160.9-138.8 105.6 21.2 9.2 32.2 64 64 A S E > -bC 80 68B 4 4,-0.6 4,-3.0 -2,-0.4 17,-0.2 -0.980 46.4-108.2-141.0 154.0 20.4 10.1 35.8 65 65 A E T 4 S+ 0 0 13 15,-1.2 -29,-0.5 -2,-0.3 16,-0.1 0.754 109.6 30.4 -35.8 -60.0 21.9 11.8 38.8 66 66 A E T 4 S+ 0 0 11 -32,-0.1 -1,-0.1 1,-0.1 -30,-0.1 0.995 126.3 34.7 -72.8 -74.7 22.5 8.8 41.0 67 67 A L T 4 S- 0 0 93 1,-0.2 2,-0.7 -33,-0.1 -2,-0.2 0.821 95.5-145.7 -52.6 -38.9 23.2 5.8 38.8 68 68 A G E < -C 64 0B 7 -4,-3.0 -4,-0.6 2,-0.0 2,-0.3 -0.794 49.8 -17.3 112.5 -90.8 25.0 7.9 36.2 69 69 A V E -C 63 0B 74 -2,-0.7 2,-0.6 -6,-0.2 -6,-0.3 -0.875 43.8-160.4-164.3 120.3 24.5 6.7 32.6 70 70 A I E -C 62 0B 37 -8,-4.1 -8,-2.4 -2,-0.3 2,-0.7 -0.909 17.9-150.4-108.9 117.3 23.3 3.5 30.9 71 71 A D + 0 0 111 -2,-0.6 -10,-0.1 -10,-0.2 6,-0.1 -0.759 30.8 158.8 -95.8 114.4 24.3 3.2 27.3 72 72 A N - 0 0 43 -2,-0.7 -1,-0.1 2,-0.0 -11,-0.1 0.232 56.4-119.5-111.0 10.4 22.0 1.2 25.0 73 73 A S + 0 0 107 1,-0.2 2,-0.2 -13,-0.1 -2,-0.1 0.862 62.4 149.5 52.9 45.2 23.4 2.8 21.8 74 74 A S - 0 0 42 2,-0.3 -1,-0.2 1,-0.1 -14,-0.1 -0.492 62.1-124.3 -99.8 169.6 20.0 4.3 20.9 75 75 A E S S+ 0 0 101 -2,-0.2 30,-4.6 30,-0.1 2,-0.4 0.642 97.6 73.1 -81.4 -14.8 18.9 7.4 19.0 76 76 A W E - D 0 104B 59 28,-0.2 -15,-2.3 29,-0.1 2,-0.4 -0.824 61.5-174.2-107.7 138.5 16.9 8.2 22.2 77 77 A T E -bD 61 103B 5 26,-2.4 26,-3.0 -2,-0.4 2,-0.5 -0.949 10.6-156.0-136.4 114.6 18.2 9.4 25.5 78 78 A V E -bD 62 102B 1 -17,-3.2 -15,-2.5 -2,-0.4 2,-0.5 -0.735 9.4-161.3 -86.4 130.7 16.2 9.8 28.7 79 79 A V E -bD 63 101B 3 22,-4.4 22,-3.1 -2,-0.5 2,-0.4 -0.958 15.3-173.1-115.4 123.9 17.8 12.2 31.2 80 80 A I E -bD 64 100B 0 -17,-2.5 -15,-1.2 -2,-0.5 20,-0.2 -0.924 29.8-179.4-124.2 141.4 16.4 11.9 34.8 81 81 A D E - D 0 99B 0 18,-1.2 18,-1.8 -2,-0.4 3,-0.3 -0.909 19.7-159.8-128.8 95.2 16.7 13.7 38.1 82 82 A P E S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.840 81.8 13.3 -57.8 -42.7 14.6 11.6 40.5 83 83 A I E > S- 0 0 0 15,-0.1 2,-0.7 -3,-0.1 3,-0.6 -0.933 72.5-153.4-132.9 118.1 14.2 14.5 43.0 84 84 A D E 3 S+ D 0 97B 5 13,-4.2 13,-1.4 -2,-0.4 117,-0.0 -0.787 88.2 16.8 -81.8 116.7 15.2 18.0 42.0 85 85 A G T 3> S+ 0 0 15 -2,-0.7 4,-1.9 11,-0.2 -1,-0.3 0.927 71.9 176.7 85.1 50.2 16.1 19.7 45.3 86 86 A S H <> S+ 0 0 24 -3,-0.6 4,-2.6 2,-0.2 5,-0.4 0.927 73.9 59.1 -41.9 -66.1 16.6 16.7 47.5 87 87 A F H > S+ 0 0 39 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.818 108.0 42.6 -31.5 -68.9 17.6 18.8 50.5 88 88 A N H >4>S+ 0 0 1 85,-0.3 5,-1.5 1,-0.2 3,-0.7 0.892 113.6 55.3 -50.9 -42.9 14.5 20.9 50.6 89 89 A F H ><5S+ 0 0 0 -4,-1.9 -66,-2.3 -3,-0.3 3,-0.9 0.935 112.4 39.2 -61.0 -49.0 12.5 17.8 50.1 90 90 A I H 3<5S+ 0 0 7 -4,-2.6 -1,-0.3 1,-0.2 -65,-0.3 0.522 118.6 54.3 -79.0 -1.8 14.0 15.9 53.0 91 91 A N T <<5S- 0 0 19 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 -0.123 113.0-108.2-126.1 42.4 13.8 19.2 54.9 92 92 A G T < 5S+ 0 0 2 -3,-0.9 -3,-0.2 1,-0.2 -4,-0.1 0.443 73.7 135.0 54.4 0.4 10.2 20.3 54.6 93 93 A I < - 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