==== 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 09-MAR-07 2P3N . COMPND 2 MOLECULE: INOSITOL-1-MONOPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.A.STIEGLITZ,M.F.ROBERTS,W.LI,B.STEC . 1024 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 740 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 209 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 64 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 1 4 0 0 3 5 0 1 4 0 2 0 4 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 7 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 . 9 4 10 5 2 4 8 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 . 5 0 0 1 3 0 4 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 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-142.2 53.3 62.4 27.9 2 2 A D H > + 0 0 117 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.972 360.0 42.5 -66.7 -53.9 51.9 65.2 30.1 3 3 A R H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 116.3 46.7 -59.7 -48.7 51.3 67.4 27.1 4 4 A L H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.953 115.6 44.8 -60.0 -51.0 49.9 64.6 24.9 5 5 A D H X S+ 0 0 27 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.866 112.8 52.2 -59.9 -40.9 47.5 63.3 27.6 6 6 A F H X S+ 0 0 31 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.895 111.1 48.0 -61.1 -44.4 46.4 66.8 28.5 7 7 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.896 110.8 49.9 -65.7 -45.0 45.6 67.5 24.9 8 8 A I H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.957 114.7 43.2 -60.5 -51.7 43.7 64.3 24.4 9 9 A K H X S+ 0 0 42 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.811 114.2 52.1 -65.6 -30.5 41.5 64.8 27.5 10 10 A L H X S+ 0 0 8 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.936 112.5 42.4 -71.7 -50.0 41.0 68.5 26.7 11 11 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.833 113.2 54.6 -67.4 -30.0 39.8 68.0 23.2 12 12 A R H X S+ 0 0 34 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.2 0.850 112.0 44.1 -71.0 -32.3 37.7 65.1 24.3 13 13 A K H >X S+ 0 0 50 -4,-1.4 3,-1.2 2,-0.2 4,-0.7 0.942 115.5 45.6 -76.0 -50.4 36.0 67.3 26.9 14 14 A V H >X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.3 3,-1.2 0.860 100.2 71.4 -61.3 -34.2 35.5 70.3 24.7 15 15 A G H 3X S+ 0 0 1 -4,-2.0 4,-1.3 1,-0.3 -1,-0.3 0.836 94.0 55.9 -51.3 -33.2 34.2 67.9 22.0 16 16 A H H < S+ 0 0 46 -4,-0.8 3,-2.8 -3,-0.3 -2,-0.2 0.422 83.6 138.5-101.8 -1.8 25.4 72.7 19.3 22 22 A W T 3< S- 0 0 36 -4,-1.0 66,-0.2 1,-0.3 65,-0.1 -0.204 88.0 -7.5 -50.6 128.1 26.1 70.3 16.4 23 23 A G T 3 S+ 0 0 34 64,-3.0 -1,-0.3 68,-0.1 65,-0.1 0.488 123.0 88.4 61.7 3.5 23.9 71.2 13.4 24 24 A R < + 0 0 108 -3,-2.8 2,-0.7 63,-0.2 -2,-0.2 -0.044 46.0 119.1-123.1 32.2 22.0 73.5 15.7 25 25 A V - 0 0 12 63,-0.3 3,-0.1 62,-0.2 -2,-0.0 -0.881 32.6-179.7-100.5 113.4 23.8 76.9 15.5 26 26 A D + 0 0 148 -2,-0.7 2,-1.4 1,-0.2 -1,-0.2 0.776 66.5 77.3 -80.3 -26.0 21.4 79.5 14.2 27 27 A N + 0 0 50 2,-0.0 2,-0.5 0, 0.0 13,-0.4 -0.557 61.1 174.8 -87.1 74.6 24.0 82.3 14.3 28 28 A V - 0 0 47 -2,-1.4 2,-0.4 11,-0.1 11,-0.2 -0.704 10.6-165.0 -85.8 128.6 26.2 81.8 11.2 29 29 A E E -A 38 0A 68 9,-2.2 9,-2.9 -2,-0.5 2,-0.3 -0.921 12.2-136.5-116.2 137.4 28.8 84.5 10.7 30 30 A K E -A 37 0A 146 -2,-0.4 7,-0.2 7,-0.2 4,-0.1 -0.711 16.9-178.3 -91.8 138.2 30.8 85.2 7.5 31 31 A K S S- 0 0 84 5,-3.1 6,-0.2 2,-0.6 -1,-0.2 0.852 84.8 -14.5-100.4 -49.8 34.6 86.0 7.8 32 32 A T S S- 0 0 123 4,-1.0 2,-0.3 1,-0.4 5,-0.1 0.057 129.9 -28.8-141.8 24.2 35.6 86.6 4.2 33 33 A G S S- 0 0 30 3,-0.5 -2,-0.6 1,-0.1 -1,-0.4 -0.931 79.9 -69.9 152.6-172.6 32.6 85.2 2.3 34 34 A F S S+ 0 0 57 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.650 126.7 55.1 -86.2 -17.8 29.9 82.6 2.6 35 35 A K S S+ 0 0 53 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.523 105.4 57.3 -89.8 -9.1 32.4 79.7 2.2 36 36 A D S S+ 0 0 54 -3,-0.1 -5,-3.1 48,-0.1 -4,-1.0 -0.776 76.8 155.2-126.8 86.8 34.5 81.0 5.1 37 37 A I E -A 30 0A 7 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.620 24.2-166.7-112.0 168.7 32.3 81.2 8.2 38 38 A V E -A 29 0A 6 -9,-2.9 -9,-2.2 -2,-0.2 2,-0.2 -0.965 8.4-156.4-148.0 155.6 32.6 81.2 12.0 39 39 A T > - 0 0 0 -2,-0.3 4,-1.1 -11,-0.2 3,-0.2 -0.757 36.0-103.0-128.5 176.4 30.2 80.8 14.8 40 40 A E H > S+ 0 0 81 -13,-0.4 4,-2.0 -2,-0.2 5,-0.1 0.700 120.8 58.5 -73.2 -19.8 29.9 81.7 18.5 41 41 A I H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.778 96.3 60.3 -80.7 -26.2 30.7 78.1 19.3 42 42 A D H > S+ 0 0 0 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.948 112.7 40.6 -60.9 -45.9 34.0 78.2 17.4 43 43 A R H X S+ 0 0 69 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.870 113.5 50.7 -68.7 -43.7 34.9 81.0 19.9 44 44 A E H X S+ 0 0 79 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.896 112.6 48.4 -63.7 -38.3 33.4 79.4 23.0 45 45 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.881 112.0 49.4 -68.3 -38.4 35.3 76.2 22.1 46 46 A Q H X S+ 0 0 14 -4,-1.8 4,-3.1 -5,-0.2 5,-0.2 0.855 110.1 50.3 -69.0 -36.6 38.5 78.2 21.6 47 47 A R H X S+ 0 0 116 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.947 108.4 52.9 -65.6 -48.6 38.1 80.0 25.0 48 48 A M H X S+ 0 0 67 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.926 117.7 37.7 -51.5 -47.9 37.5 76.7 26.7 49 49 A I H >X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 3,-0.9 0.978 115.3 49.9 -69.0 -59.0 40.8 75.4 25.2 50 50 A V H 3X S+ 0 0 5 -4,-3.1 4,-2.8 1,-0.3 -2,-0.2 0.805 108.2 56.3 -49.8 -37.8 43.0 78.5 25.4 51 51 A D H 3X S+ 0 0 99 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.3 0.859 107.3 46.8 -65.9 -38.9 42.0 79.0 29.0 52 52 A E H < S+ 0 0 13 -4,-3.4 3,-1.4 -5,-0.2 -1,-0.2 -0.378 74.7 173.9-129.2 54.6 51.3 76.4 30.4 58 58 A P T 3 S+ 0 0 89 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.726 72.8 32.0 -26.9 -63.5 51.5 80.0 31.8 59 59 A D T 3 S+ 0 0 141 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 -0.316 95.0 105.0-105.6 53.6 54.3 81.5 29.7 60 60 A E < - 0 0 20 -3,-1.4 15,-0.2 -2,-0.4 2,-0.2 -0.910 67.4-109.2-125.7 153.6 53.8 79.7 26.4 61 61 A N E -b 75 0B 49 13,-2.5 15,-2.7 -2,-0.3 2,-0.4 -0.474 21.2-153.5 -89.7 158.7 52.3 81.1 23.2 62 62 A I E -b 76 0B 0 13,-0.2 8,-1.8 -2,-0.2 2,-0.5 -0.980 10.3-173.1-129.7 138.0 49.0 80.4 21.4 63 63 A M E +bC 77 69B 17 13,-2.8 15,-2.7 -2,-0.4 2,-0.4 -0.941 20.4 174.1-130.4 105.2 48.1 80.6 17.8 64 64 A A E -b 78 0B 0 4,-3.4 15,-0.2 -2,-0.5 3,-0.1 -0.943 37.1-126.6-118.8 137.1 44.4 80.0 17.4 65 65 A E S S+ 0 0 26 13,-2.4 2,-2.3 -2,-0.4 -1,-0.1 0.916 101.3 61.6 -41.5 -62.7 42.3 80.4 14.3 66 66 A E S S- 0 0 24 12,-0.1 2,-0.6 1,-0.1 -1,-0.2 -0.410 132.4 -51.0 -72.0 72.4 39.7 82.7 15.8 67 67 A G S S+ 0 0 50 -2,-2.3 2,-0.6 1,-0.1 -1,-0.1 -0.422 101.7 104.4 105.2 -64.3 41.9 85.6 16.7 68 68 A I + 0 0 37 -2,-0.6 -4,-3.4 1,-0.1 -1,-0.1 -0.480 33.5 164.6 -67.3 111.0 45.0 84.7 18.8 69 69 A F B +C 63 0B 125 -2,-0.6 -6,-0.2 -6,-0.2 -1,-0.1 -0.263 16.4 154.2-123.0 48.9 48.0 84.8 16.5 70 70 A E - 0 0 66 -8,-1.8 2,-0.3 1,-0.0 -9,-0.0 0.034 31.6-137.4 -69.5 178.9 51.0 84.8 18.8 71 71 A K + 0 0 184 3,-0.1 2,-0.3 -8,-0.0 -9,-0.1 -0.984 33.5 134.5-138.5 145.7 54.6 83.7 18.2 72 72 A G - 0 0 36 -2,-0.3 32,-0.4 -11,-0.1 3,-0.3 -0.962 62.1-109.1 179.7 164.8 57.0 81.7 20.3 73 73 A D S S+ 0 0 97 1,-0.3 30,-2.3 -2,-0.3 2,-0.3 0.463 121.5 46.9 -84.8 -1.9 59.5 78.9 20.5 74 74 A R E S+ D 0 102B 101 28,-0.3 -13,-2.5 29,-0.1 2,-0.4 -0.803 83.5 161.1-139.9 87.0 56.8 77.1 22.5 75 75 A L E -bD 61 101B 8 26,-2.9 26,-3.0 -2,-0.3 2,-0.6 -0.956 29.8-154.4-122.2 128.1 53.6 77.6 20.5 76 76 A W E -bD 62 100B 0 -15,-2.7 -13,-2.8 -2,-0.4 2,-0.6 -0.847 15.1-152.2 -96.9 122.0 50.3 75.7 20.7 77 77 A I E -bD 63 99B 2 22,-2.8 22,-2.2 -2,-0.6 2,-0.4 -0.852 16.6-169.6-101.0 123.4 48.3 75.9 17.5 78 78 A I E -bD 64 98B 0 -15,-2.7 -13,-2.4 -2,-0.6 20,-0.2 -0.906 24.4-176.6-119.3 133.9 44.6 75.6 17.9 79 79 A D E - D 0 97B 0 18,-2.2 18,-2.0 -2,-0.4 3,-0.4 -0.922 12.1-164.9-122.9 100.7 41.7 75.1 15.6 80 80 A P E S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.862 82.7 8.5 -53.5 -39.8 38.5 75.3 17.7 81 81 A I E > - 0 0 1 -3,-0.1 2,-1.0 15,-0.1 3,-0.6 -0.806 66.2-166.5-147.9 103.3 36.4 73.7 14.9 82 82 A D E 3 S+ D 0 95B 12 13,-3.4 13,-1.4 -3,-0.4 97,-0.2 -0.792 86.5 29.1 -90.6 102.9 38.0 72.4 11.8 83 83 A G T 3> + 0 0 13 -2,-1.0 4,-2.8 11,-0.2 -1,-0.3 0.718 68.2 168.0 113.6 45.0 35.0 72.0 9.4 84 84 A T H <> S+ 0 0 13 -3,-0.6 4,-2.0 1,-0.2 5,-0.1 0.792 75.8 56.5 -58.9 -31.3 32.7 74.7 10.7 85 85 A I H > S+ 0 0 7 2,-0.2 4,-2.2 90,-0.2 -1,-0.2 0.958 110.5 42.9 -66.6 -50.6 30.5 74.4 7.6 86 86 A N H >>S+ 0 0 0 89,-0.2 4,-2.1 1,-0.2 5,-1.9 0.956 112.0 55.4 -56.3 -52.2 29.9 70.7 8.3 87 87 A F H <5S+ 0 0 0 -4,-2.8 -64,-3.0 1,-0.2 -1,-0.2 0.856 110.0 46.7 -47.4 -44.0 29.5 71.5 12.0 88 88 A V H <5S+ 0 0 15 -4,-2.0 -63,-0.3 1,-0.2 -1,-0.2 0.879 114.2 44.9 -70.4 -40.4 26.7 74.0 11.1 89 89 A H H <5S- 0 0 14 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.661 117.7-107.0 -82.0 -14.2 24.8 71.7 8.7 90 90 A G T <5 + 0 0 7 -4,-2.1 -3,-0.2 1,-0.3 355,-0.1 0.582 66.9 146.5 102.0 10.2 25.0 68.7 11.0 91 91 A L < - 0 0 2 -5,-1.9 -1,-0.3 354,-0.2 -68,-0.1 -0.631 49.5-133.9 -80.6 139.8 27.6 66.6 9.1 92 92 A P S S+ 0 0 1 0, 0.0 2,-2.0 0, 0.0 23,-0.3 0.598 79.5 98.7 -68.5 -12.2 29.8 64.5 11.4 93 93 A N + 0 0 0 81,-0.2 2,-0.3 22,-0.1 -7,-0.2 -0.418 56.2 103.3 -82.0 69.8 33.1 65.4 9.7 94 94 A F + 0 0 0 -2,-2.0 2,-0.3 -8,-0.1 21,-0.3 -0.956 43.0 177.3-140.7 156.2 34.4 68.1 11.9 95 95 A S E -D 82 0B 0 -13,-1.4 -13,-3.4 -2,-0.3 2,-0.4 -0.935 29.8-115.9-152.9 174.1 37.1 68.1 14.6 96 96 A I E - E 0 112B 0 16,-1.2 16,-2.2 -2,-0.3 2,-0.4 -0.964 32.3-157.6-116.1 133.6 39.2 70.0 17.1 97 97 A S E +DE 79 111B 2 -18,-2.0 -18,-2.2 -2,-0.4 2,-0.4 -0.940 15.9 175.5-123.0 138.7 42.9 70.3 16.5 98 98 A L E +DE 78 110B 0 12,-2.3 12,-1.3 -2,-0.4 2,-0.4 -0.927 4.3 174.8-140.4 112.2 45.8 70.9 18.9 99 99 A A E -DE 77 109B 1 -22,-2.2 -22,-2.8 -2,-0.4 2,-0.7 -0.917 20.7-147.3-116.3 143.1 49.5 70.9 17.9 100 100 A Y E -DE 76 108B 4 8,-2.2 7,-2.8 -2,-0.4 8,-0.8 -0.897 18.4-168.9-113.6 103.5 52.4 71.8 20.1 101 101 A V E -DE 75 106B 2 -26,-3.0 -26,-2.9 -2,-0.7 2,-0.5 -0.744 3.4-170.0 -93.1 130.9 55.1 73.4 18.1 102 102 A E E > S-DE 74 105B 64 3,-3.5 3,-2.3 -2,-0.4 -28,-0.3 -0.990 75.3 -10.9-124.2 126.6 58.5 74.0 19.7 103 103 A N T 3 S- 0 0 101 -30,-2.3 -1,-0.2 -2,-0.5 -30,-0.1 0.931 132.8 -53.6 52.1 45.9 61.2 76.0 17.9 104 104 A G T 3 S+ 0 0 35 -32,-0.4 2,-0.5 1,-0.2 122,-0.3 0.583 117.8 120.5 66.9 9.5 58.9 75.9 14.9 105 105 A E E < -E 102 0B 104 -3,-2.3 -3,-3.5 -32,-0.2 2,-0.5 -0.925 67.2-127.2-113.6 123.5 58.9 72.1 15.2 106 106 A V E +E 101 0B 12 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.505 34.7 167.7 -66.5 114.1 55.7 70.1 15.7 107 107 A K E + 0 0 43 -7,-2.8 17,-2.5 -2,-0.5 2,-0.3 0.605 64.5 17.8-102.0 -17.7 56.3 68.0 18.7 108 108 A L E -EF 100 123B 2 -8,-0.8 -8,-2.2 15,-0.2 2,-0.3 -0.992 60.4-176.0-156.3 145.3 52.8 66.8 19.3 109 109 A G E +EF 99 122B 0 13,-2.2 13,-2.4 -2,-0.3 2,-0.3 -0.998 2.7 177.2-147.4 140.9 49.5 66.6 17.5 110 110 A V E -EF 98 121B 0 -12,-1.3 -12,-2.3 -2,-0.3 2,-0.4 -0.985 5.3-173.2-147.0 133.6 45.9 65.6 18.3 111 111 A V E -EF 97 120B 0 9,-3.1 9,-2.1 -2,-0.3 2,-0.5 -0.997 6.7-169.4-126.0 128.5 42.8 65.7 16.2 112 112 A H E -EF 96 119B 10 -16,-2.2 -16,-1.2 -2,-0.4 7,-0.2 -0.897 10.2-165.8-128.0 106.5 39.4 64.8 17.8 113 113 A A E >>> - 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