==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-09 3ID9 . COMPND 2 MOLECULE: MUTT/NUDIX FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS STR. AL HAKAM; . AUTHOR K.PALANI,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 251 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 22.7 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 . 23 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 0 0 0 2 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 . 0 4 2 0 2 0 0 0 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 2 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 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 20 A X 0 0 89 0, 0.0 2,-0.3 0, 0.0 73,-0.2 0.000 360.0 360.0 360.0 134.2 63.6 43.5 5.2 2 21 A Q E -a 74 0A 58 71,-2.7 73,-2.1 125,-0.0 2,-0.4 -0.713 360.0-161.2 -95.3 143.2 63.3 39.8 4.3 3 22 A V E -a 75 0A 12 31,-0.4 31,-3.2 -2,-0.3 2,-0.4 -0.987 4.8-169.6-128.3 133.4 66.2 37.4 4.0 4 23 A R E -aB 76 33A 94 71,-2.9 73,-3.0 -2,-0.4 2,-0.4 -0.967 4.2-160.5-126.6 138.3 66.4 34.1 2.2 5 24 A V E -aB 77 32A 0 27,-2.5 27,-2.2 -2,-0.4 2,-0.4 -0.890 5.7-172.7-115.6 144.2 69.0 31.4 2.2 6 25 A T E -aB 78 31A 18 71,-2.1 73,-2.8 -2,-0.4 2,-0.4 -0.990 14.5-138.4-134.3 143.4 69.5 28.6 -0.3 7 26 A G E -a 79 0A 0 23,-3.3 2,-0.6 -2,-0.4 73,-0.2 -0.817 7.9-162.0-109.0 144.1 71.9 25.7 -0.1 8 27 A I E -a 80 0A 4 71,-2.4 73,-3.0 -2,-0.4 2,-0.6 -0.955 14.6-179.2-120.9 107.7 74.0 24.1 -2.8 9 28 A L E -a 81 0A 3 -2,-0.6 7,-1.8 7,-0.3 2,-0.4 -0.946 6.7-170.9-112.6 114.2 75.1 20.6 -1.7 10 29 A I E +E 15 0B 51 71,-0.6 2,-0.3 -2,-0.6 5,-0.2 -0.882 13.8 162.2-112.1 136.2 77.3 18.9 -4.2 11 30 A E E > S-E 14 0B 62 3,-1.9 3,-1.2 -2,-0.4 -2,-0.0 -0.967 73.6 -3.3-150.4 131.5 78.5 15.2 -4.2 12 31 A D T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.905 130.0 -58.9 50.4 44.8 79.9 13.2 -7.1 13 32 A E T 3 S+ 0 0 160 1,-0.2 83,-2.5 82,-0.1 84,-0.3 0.762 113.8 115.1 55.4 33.5 79.3 16.2 -9.3 14 33 A K E < -EF 11 95B 83 -3,-1.2 -3,-1.9 81,-0.3 2,-0.4 -0.928 57.6-135.0-127.4 152.6 75.6 16.3 -8.6 15 34 A V E -EF 10 94B 1 79,-3.1 79,-2.8 -2,-0.3 2,-0.4 -0.875 21.4-116.8-110.8 142.9 73.5 18.9 -6.9 16 35 A L E - F 0 93B 4 -7,-1.8 2,-0.3 -2,-0.4 -7,-0.3 -0.624 36.7-179.2 -77.3 127.0 70.8 18.2 -4.2 17 36 A L E - F 0 92B 0 75,-2.9 75,-2.6 -2,-0.4 2,-0.3 -0.929 8.4-163.8-126.4 151.2 67.3 19.3 -5.4 18 37 A V E -GF 28 91B 7 10,-2.6 10,-2.9 -2,-0.3 2,-0.6 -0.894 29.9-103.0-131.0 158.2 64.0 19.1 -3.5 19 38 A K E -G 27 0B 87 71,-1.0 8,-0.2 -2,-0.3 71,-0.2 -0.766 37.7-124.0 -89.4 126.6 60.5 19.4 -4.7 20 39 A Q - 0 0 80 6,-2.5 -1,-0.0 -2,-0.6 9,-0.0 -0.477 8.6-149.5 -68.5 132.4 59.0 22.8 -3.9 21 40 A K S S+ 0 0 189 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 0.388 78.5 58.7 -84.0 4.0 55.8 22.5 -1.9 22 41 A V S > S+ 0 0 96 4,-0.1 3,-1.5 0, 0.0 4,-0.3 -0.874 98.0 2.6-131.0 162.7 54.5 25.7 -3.5 23 42 A A T 3 S- 0 0 79 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.351 129.6 -14.1 65.4-140.8 53.8 27.0 -7.0 24 43 A N T 3 S- 0 0 126 -2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.405 91.7-126.7 -75.2 3.9 54.3 24.6 -9.9 25 44 A R < + 0 0 157 -3,-1.5 -2,-0.1 1,-0.1 2,-0.1 0.904 46.2 171.9 49.9 53.5 56.1 22.4 -7.4 26 45 A D - 0 0 85 -4,-0.3 -6,-2.5 -7,-0.1 2,-0.5 -0.366 43.8 -91.9 -85.6 167.2 59.3 22.1 -9.5 27 46 A W E +G 19 0B 62 -8,-0.2 2,-0.3 -2,-0.1 -8,-0.2 -0.708 66.1 151.6 -79.3 123.9 62.6 20.5 -8.4 28 47 A S E -G 18 0B 24 -10,-2.9 -10,-2.6 -2,-0.5 76,-0.0 -0.846 47.6 -62.8-143.8-178.9 64.6 23.4 -7.1 29 48 A L - 0 0 36 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.1 -0.402 56.2-108.8 -71.1 141.4 67.4 24.4 -4.7 30 49 A P + 0 0 0 0, 0.0 -23,-3.3 0, 0.0 2,-0.3 -0.500 64.8 107.9 -72.3 137.4 66.7 23.8 -1.0 31 50 A G E -B 6 0A 14 -25,-0.3 2,-0.3 -2,-0.2 -25,-0.2 -0.984 32.2-175.8 178.6-173.4 66.2 27.0 1.1 32 51 A G E -B 5 0A 8 -27,-2.2 -27,-2.5 -2,-0.3 2,-0.2 -0.979 40.8 -51.9 175.1 179.4 63.8 29.3 2.9 33 52 A R E -B 4 0A 111 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.2 -0.484 50.8-118.0 -76.5 141.6 63.3 32.5 4.8 34 53 A V - 0 0 19 -31,-3.2 -31,-0.4 -2,-0.2 2,-0.2 -0.664 36.2-134.9 -78.7 130.8 65.5 33.4 7.7 35 54 A E > - 0 0 79 -2,-0.4 3,-2.7 4,-0.2 8,-0.1 -0.598 29.6 -78.2 -93.0 153.1 63.4 33.6 10.8 36 55 A N T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.157 119.9 17.0 -46.6 125.7 63.4 36.2 13.6 37 56 A G T 3 S+ 0 0 21 1,-0.3 2,-0.3 157,-0.2 -1,-0.3 0.380 99.9 122.3 89.8 -3.9 66.4 35.6 15.9 38 57 A E < - 0 0 30 -3,-2.7 -1,-0.3 156,-0.1 2,-0.1 -0.714 57.1-137.4 -97.2 142.4 68.2 33.3 13.4 39 58 A T > - 0 0 5 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.480 38.0-105.3 -81.2 164.4 71.7 33.8 12.0 40 59 A L H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.924 123.2 53.6 -57.0 -40.1 71.9 33.0 8.3 41 60 A E H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.900 104.5 50.9 -62.0 -45.5 73.6 29.7 9.3 42 61 A E H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 111.9 49.2 -61.0 -39.0 70.9 28.6 11.8 43 62 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.927 110.1 50.6 -64.9 -45.6 68.3 29.1 9.1 44 63 A X H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.950 113.0 45.5 -57.1 -51.4 70.3 27.2 6.5 45 64 A I H X S+ 0 0 24 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.882 114.1 49.3 -59.6 -42.2 70.7 24.2 8.8 46 65 A R H X S+ 0 0 34 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.930 110.5 49.9 -64.3 -46.0 67.1 24.3 9.8 47 66 A E H X S+ 0 0 16 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.849 109.3 51.3 -62.7 -36.1 65.9 24.5 6.2 48 67 A X H X>S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 5,-1.1 0.912 111.6 48.8 -66.9 -40.6 68.1 21.5 5.2 49 68 A R H X5S+ 0 0 121 -4,-1.9 4,-1.0 4,-0.2 -2,-0.2 0.942 113.4 44.9 -62.8 -49.4 66.7 19.5 8.1 50 69 A E H <5S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 124.8 32.4 -67.8 -28.9 63.0 20.3 7.2 51 70 A E H <5S+ 0 0 61 -4,-1.8 39,-0.2 -5,-0.2 -2,-0.2 0.634 139.4 10.3-105.4 -15.5 63.5 19.7 3.5 52 71 A T H <5S- 0 0 12 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.445 84.2-130.0-138.1 -12.1 66.1 16.9 3.2 53 72 A G << + 0 0 42 -5,-1.1 -4,-0.2 -4,-1.0 2,-0.2 0.621 63.6 134.8 67.5 11.9 66.5 15.7 6.8 54 73 A L - 0 0 45 -6,-0.9 2,-0.5 -9,-0.0 -1,-0.2 -0.607 55.7-130.3 -95.2 155.5 70.3 16.0 6.4 55 74 A E + 0 0 77 29,-0.4 29,-2.5 -2,-0.2 2,-0.3 -0.892 39.1 168.9-101.2 126.9 72.8 17.6 8.8 56 75 A V E -C 83 0A 7 -2,-0.5 2,-0.3 27,-0.2 27,-0.2 -0.831 26.5-148.4-134.3 173.0 75.1 20.1 7.1 57 76 A K E -C 82 0A 97 25,-2.0 25,-1.7 -2,-0.3 2,-0.2 -0.982 36.0 -98.7-140.2 147.8 77.7 22.8 7.8 58 77 A I E -C 81 0A 29 -2,-0.3 23,-0.2 23,-0.2 3,-0.1 -0.501 33.0-179.8 -68.8 130.9 78.4 26.0 5.8 59 78 A K E - 0 0 100 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.843 65.5 -31.6 -95.2 -50.0 81.4 25.5 3.5 60 79 A K E -C 80 0A 53 20,-1.3 20,-3.2 187,-0.1 2,-0.8 -0.980 58.9-101.3-164.4 162.0 81.4 29.0 2.1 61 80 A L E -C 79 0A 0 185,-2.8 59,-1.8 -2,-0.3 2,-0.6 -0.840 40.9-174.9 -93.1 113.5 79.1 31.9 1.1 62 81 A L E - 0 0 1 16,-2.0 16,-0.3 -2,-0.8 57,-0.2 -0.940 51.7 -15.2-114.8 112.5 78.7 31.7 -2.6 63 82 A Y E - 0 0 72 -2,-0.6 15,-2.5 55,-0.4 2,-0.4 0.626 54.6-153.3 70.4 132.8 76.8 34.5 -4.2 64 83 A V E -Cd 77 122A 4 57,-1.3 59,-1.0 13,-0.2 2,-0.4 -0.995 10.7-167.2-137.7 132.9 74.5 37.1 -2.6 65 84 A C E -C 76 0A 18 11,-3.5 11,-3.5 -2,-0.4 2,-0.4 -0.984 3.0-171.5-128.9 125.3 71.6 38.7 -4.5 66 85 A D E +C 75 0A 1 -2,-0.4 59,-2.2 9,-0.2 9,-0.2 -0.964 14.5 175.2-126.8 135.0 69.7 41.7 -3.4 67 86 A K E > +C 74 0A 93 7,-2.5 7,-2.0 -2,-0.4 3,-1.2 -0.845 0.7 177.6-132.7 92.0 66.6 43.3 -4.8 68 87 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.658 77.3 69.5 -69.0 -18.2 65.4 46.2 -2.6 69 88 A D T 3 S+ 0 0 137 5,-0.1 4,-0.1 94,-0.1 95,-0.0 0.622 82.0 97.2 -76.3 -12.5 62.6 47.0 -5.0 70 89 A A S < S- 0 0 41 -3,-1.2 3,-0.1 4,-0.1 0, 0.0 0.014 91.9 -81.5 -64.0-178.9 60.9 43.8 -3.9 71 90 A S S S+ 0 0 122 1,-0.3 2,-0.2 2,-0.1 -2,-0.1 -0.881 120.8 9.0-136.9 103.1 58.2 43.8 -1.3 72 91 A P S S- 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.640 117.8 -86.4 -80.9-176.3 59.5 43.8 1.3 73 92 A S - 0 0 24 -2,-0.2 -71,-2.7 -3,-0.1 2,-0.4 -0.238 52.5-145.4 -51.3 135.1 63.2 44.4 0.4 74 93 A L E -aC 2 67A 16 -7,-2.0 -7,-2.5 -73,-0.2 2,-0.5 -0.911 21.3-173.1-118.9 133.2 64.8 41.1 -0.3 75 94 A L E -aC 3 66A 1 -73,-2.1 -71,-2.9 -2,-0.4 2,-0.6 -0.984 12.0-164.3-120.3 122.4 68.3 39.8 0.4 76 95 A H E -aC 4 65A 54 -11,-3.5 -11,-3.5 -2,-0.5 2,-0.5 -0.929 5.4-173.5-115.2 116.1 69.1 36.4 -1.1 77 96 A I E -aC 5 64A 4 -73,-3.0 -71,-2.1 -2,-0.6 2,-0.5 -0.912 6.8-160.6-112.7 130.1 72.2 34.4 0.2 78 97 A T E -a 6 0A 14 -15,-2.5 -16,-2.0 -2,-0.5 2,-0.4 -0.911 10.0-160.7-111.2 128.8 73.4 31.1 -1.3 79 98 A F E -aC 7 61A 0 -73,-2.8 -71,-2.4 -2,-0.5 2,-0.6 -0.851 19.6-132.1-111.8 143.2 75.7 28.8 0.6 80 99 A L E -aC 8 60A 6 -20,-3.2 -21,-3.2 -2,-0.4 -20,-1.3 -0.801 39.7-162.1 -85.6 125.5 78.0 26.1 -0.5 81 100 A L E -aC 9 58A 4 -73,-3.0 -71,-0.6 -2,-0.6 2,-0.4 -0.766 17.8-160.5-114.4 160.3 77.1 23.2 1.9 82 101 A E E - C 0 57A 79 -25,-1.7 -25,-2.0 -2,-0.3 2,-0.2 -0.994 24.0-120.0-136.1 140.5 78.8 20.0 3.0 83 102 A R E C 0 56A 120 -2,-0.4 -27,-0.2 -27,-0.2 -29,-0.0 -0.541 360.0 360.0 -81.0 144.8 77.1 17.1 4.6 84 103 A I 0 0 120 -29,-2.5 -29,-0.4 -2,-0.2 -1,-0.0 -0.884 360.0 360.0-131.3 360.0 78.2 15.9 8.1 85 ! 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 86 117 A N 0 0 194 0, 0.0 3,-0.1 0, 0.0 -36,-0.0 0.000 360.0 360.0 360.0 65.9 59.1 13.8 10.4 87 118 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.061 360.0 -97.9 -63.9 161.7 57.9 13.4 6.8 88 119 A I - 0 0 168 1,-0.0 2,-0.2 -35,-0.0 -35,-0.1 -0.705 48.8-126.2 -81.0 130.3 59.6 11.5 4.0 89 120 A H - 0 0 53 -2,-0.4 2,-1.0 -37,-0.1 -37,-0.1 -0.523 1.0-129.0 -86.8 147.3 61.5 14.1 1.9 90 121 A D + 0 0 89 -39,-0.2 -71,-1.0 -2,-0.2 2,-0.4 -0.815 48.9 158.9 -90.9 103.6 61.4 14.8 -1.8 91 122 A V E +F 18 0B 58 -2,-1.0 2,-0.3 -73,-0.2 -73,-0.2 -0.973 19.5 175.6-133.6 145.4 65.0 14.7 -2.7 92 123 A Q E -F 17 0B 59 -75,-2.6 -75,-2.9 -2,-0.4 2,-0.8 -0.989 24.3-142.3-149.9 136.5 67.0 14.2 -5.9 93 124 A X E -F 16 0B 65 -2,-0.3 -77,-0.2 -77,-0.2 -83,-0.0 -0.878 27.2-166.6-100.5 105.6 70.7 14.4 -6.8 94 125 A V E -F 15 0B 0 -79,-2.8 -79,-3.1 -2,-0.8 5,-0.1 -0.794 24.8-113.8 -97.5 130.1 70.9 15.9 -10.3 95 126 A P E > -F 14 0B 34 0, 0.0 4,-0.6 0, 0.0 3,-0.5 -0.369 24.8-125.4 -59.4 137.6 74.1 15.8 -12.3 96 127 A I T >4 S+ 0 0 20 -83,-2.5 3,-1.1 1,-0.2 4,-0.3 0.850 109.5 61.0 -53.3 -35.8 75.4 19.4 -12.7 97 128 A N G >4 S+ 0 0 142 -84,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.931 103.9 47.7 -53.3 -53.4 75.5 18.8 -16.5 98 129 A E G >4 S+ 0 0 79 -3,-0.5 3,-2.5 1,-0.2 4,-0.5 0.488 78.9 103.6 -70.8 -6.1 71.7 18.2 -16.6 99 130 A L G X<>S+ 0 0 2 -3,-1.1 3,-1.6 -4,-0.6 5,-1.4 0.800 72.7 63.9 -49.7 -31.5 70.9 21.3 -14.6 100 131 A S G X 5S+ 0 0 72 -3,-0.9 3,-1.3 1,-0.3 -1,-0.3 0.801 93.5 61.5 -64.7 -26.2 69.8 23.0 -17.8 101 132 A Y G < 5S+ 0 0 184 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.612 99.9 56.6 -73.7 -12.0 67.0 20.5 -18.2 102 133 A Y G < 5S- 0 0 76 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.237 124.0-101.7-102.9 12.9 65.6 21.7 -14.8 103 134 A G T < 5 + 0 0 69 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.679 57.7 174.1 78.5 21.5 65.3 25.3 -16.0 104 135 A F < - 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