==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-APR-10 3MPR . COMPND 2 MOLECULE: PUTATIVE ENDONUCLEASE/EXONUCLEASE/PHOSPHATASE FAM . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR A.KUZIN,M.SU,J.SEETHARAMAN,M.MAO,R.XIAO,C.CICCOSANTI,D.LEE, . 1109 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 753 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 254 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 86 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 4 2 2 4 0 0 4 0 0 0 4 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 0 4 4 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 . 11 4 4 7 5 5 7 0 4 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 . 4 3 0 0 4 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 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 S 0 0 139 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.2 62.5 71.4 24.1 2 2 A Y - 0 0 152 131,-0.0 275,-0.4 132,-0.0 274,-0.1 -0.902 360.0-153.0-112.0 108.3 62.6 67.7 23.1 3 3 A Q - 0 0 104 -2,-0.6 273,-0.2 129,-0.2 131,-0.1 -0.497 21.2-110.9 -80.1 144.4 59.4 66.5 21.3 4 4 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 271,-0.2 -0.365 35.0-134.4 -67.4 155.8 58.2 62.9 21.5 5 5 A T E -A 274 0A 4 269,-2.7 269,-2.7 127,-0.0 2,-0.5 -0.943 12.8-159.0-120.1 132.7 58.5 61.1 18.1 6 6 A S E -A 273 0A 90 -2,-0.4 2,-0.4 267,-0.2 267,-0.2 -0.944 15.9-179.3-107.9 132.9 56.0 58.9 16.4 7 7 A L E -A 272 0A 6 265,-2.2 265,-3.1 -2,-0.5 2,-0.6 -0.989 21.3-154.5-130.1 139.4 57.1 56.4 13.8 8 8 A T E +A 271 0A 22 -2,-0.4 37,-2.1 263,-0.2 38,-1.3 -0.960 27.9 175.0-108.7 120.0 55.3 53.9 11.6 9 9 A V E -Ab 270 46A 0 261,-3.0 261,-3.0 -2,-0.6 2,-0.3 -0.789 8.3-173.1-121.7 162.5 57.7 51.1 10.5 10 10 A A E -Ab 269 47A 0 36,-1.1 38,-2.2 -2,-0.3 2,-0.4 -0.977 19.8-147.9-149.2 160.0 57.2 47.8 8.6 11 11 A S E +Ab 268 48A 1 257,-1.7 257,-2.4 -2,-0.3 2,-0.4 -0.999 27.0 171.3-127.8 129.4 59.0 44.7 7.6 12 12 A Y E - b 0 49A 2 36,-2.5 38,-1.1 -2,-0.4 2,-0.8 -0.893 28.2-150.5-148.6 113.1 58.0 43.2 4.2 13 13 A N E - b 0 50A 0 -2,-0.4 252,-0.6 36,-0.3 251,-0.2 -0.753 14.7-168.3 -80.6 113.1 59.5 40.4 2.2 14 14 A L - 0 0 0 36,-1.6 -1,-0.1 -2,-0.8 37,-0.1 0.508 35.0-118.2 -87.4 -5.5 58.7 41.4 -1.4 15 15 A R - 0 0 56 35,-0.5 36,-0.1 248,-0.1 3,-0.1 0.780 29.4 -91.5 70.7 118.2 59.6 38.1 -2.9 16 16 A N - 0 0 24 1,-0.1 2,-0.5 36,-0.1 36,-0.1 -0.248 44.9-105.6 -59.0 143.3 62.5 37.9 -5.5 17 17 A A + 0 0 22 34,-0.2 2,-0.3 10,-0.1 -1,-0.1 -0.600 57.6 152.5 -73.9 121.2 61.4 38.2 -9.1 18 18 A N > - 0 0 42 -2,-0.5 4,-1.6 -3,-0.1 10,-0.3 -0.974 54.3-113.5-148.5 162.6 61.5 34.8 -10.8 19 19 A G H > S+ 0 0 58 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.763 108.2 60.6 -69.8 -30.1 59.9 32.9 -13.7 20 20 A S H > S+ 0 0 72 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.903 107.6 44.5 -65.1 -44.3 58.2 30.3 -11.5 21 21 A D H >>S+ 0 0 4 2,-0.2 5,-2.7 1,-0.2 4,-0.5 0.934 112.1 53.3 -64.5 -44.8 56.1 32.9 -9.7 22 22 A S H ><5S+ 0 0 66 -4,-1.6 3,-1.3 4,-0.3 5,-0.4 0.908 107.6 50.7 -57.0 -42.8 55.3 34.6 -13.0 23 23 A A H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.9 54.0 -65.2 -31.5 54.0 31.4 -14.5 24 24 A R H 3<5S- 0 0 134 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.499 123.4-104.4 -79.7 -4.8 51.8 30.8 -11.5 25 25 A G T <<5S+ 0 0 20 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.560 99.8 104.4 90.0 10.3 50.2 34.2 -11.9 26 26 A D < + 0 0 7 -5,-2.7 -4,-0.3 -6,-0.2 -3,-0.1 -0.197 50.3 159.2-110.4 38.3 52.2 35.7 -9.0 27 27 A G >> - 0 0 9 -5,-0.4 4,-2.1 -6,-0.3 3,-0.8 -0.308 50.0-123.6 -68.8 144.7 54.6 37.6 -11.2 28 28 A W H 3> S+ 0 0 15 -10,-0.3 4,-2.8 1,-0.2 -1,-0.1 0.891 109.4 57.2 -48.6 -47.5 56.6 40.6 -9.9 29 29 A G H 34 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.821 112.6 40.2 -61.8 -32.0 55.2 42.9 -12.6 30 30 A Q H <4 S+ 0 0 90 -3,-0.8 4,-0.4 2,-0.1 -1,-0.2 0.826 120.5 44.5 -79.8 -34.0 51.6 42.3 -11.6 31 31 A R H >X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 3,-1.0 0.871 97.7 65.7 -82.4 -43.9 52.3 42.3 -7.8 32 32 A Y H 3X S+ 0 0 42 -4,-2.8 4,-2.8 1,-0.3 5,-0.2 0.804 92.5 59.5 -64.2 -31.8 54.5 45.2 -7.1 33 33 A P H 3> S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.898 110.0 46.6 -62.0 -33.4 52.1 48.0 -8.0 34 34 A V H <> S+ 0 0 15 -3,-1.0 4,-2.4 -4,-0.4 -2,-0.2 0.917 109.4 53.3 -69.9 -45.7 49.9 46.6 -5.3 35 35 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.934 109.7 49.2 -50.1 -48.4 52.8 46.4 -2.8 36 36 A A H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.921 108.3 52.9 -63.0 -44.3 53.5 50.1 -3.5 37 37 A Q H X S+ 0 0 52 -4,-2.0 4,-3.3 -5,-0.2 5,-0.3 0.890 108.0 51.6 -55.3 -40.8 49.9 51.0 -3.0 38 38 A X H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.921 107.8 51.6 -63.8 -44.0 50.0 49.3 0.4 39 39 A V H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 -1,-0.2 0.903 116.5 41.1 -55.6 -43.4 53.1 51.1 1.5 40 40 A Q H ><5S+ 0 0 50 -4,-2.1 3,-1.3 3,-0.2 -2,-0.2 0.957 117.5 44.9 -72.6 -50.2 51.4 54.4 0.6 41 41 A Y H 3<5S+ 0 0 5 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.869 115.8 46.9 -63.8 -38.0 48.0 53.7 2.0 42 42 A H T 3<5S- 0 0 5 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.303 108.3-125.6 -92.1 10.4 49.3 52.2 5.2 43 43 A D T < 5 - 0 0 64 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.871 31.0-171.1 55.4 50.4 51.7 55.1 5.7 44 44 A F < - 0 0 0 -5,-2.1 -1,-0.2 1,-0.2 -35,-0.2 -0.629 8.1-173.6 -72.2 117.7 55.0 53.3 6.1 45 45 A D S S- 0 0 15 -37,-2.1 44,-2.1 -2,-0.6 2,-0.3 0.890 75.9 -4.2 -74.0 -41.5 57.6 55.9 7.2 46 46 A I E S+bC 9 88A 0 -38,-1.3 -36,-1.1 42,-0.2 -1,-0.3 -0.973 74.7 178.8-153.2 135.4 60.4 53.5 7.0 47 47 A F E -bC 10 87A 0 40,-2.7 40,-2.8 -2,-0.3 2,-0.4 -1.000 24.7-131.0-147.0 146.1 60.5 49.8 6.2 48 48 A G E -bC 11 86A 0 -38,-2.2 -36,-2.5 -2,-0.3 2,-0.3 -0.752 26.8-166.7 -90.2 137.3 62.9 46.9 5.7 49 49 A T E -b 12 0A 0 36,-2.5 2,-0.3 -2,-0.4 -36,-0.3 -0.883 2.8-155.8-118.7 157.6 62.4 44.8 2.6 50 50 A Q E +b 13 0A 0 -38,-1.1 -36,-1.6 -2,-0.3 -35,-0.5 -0.950 62.9 20.4-131.4 155.4 63.8 41.4 1.7 51 51 A E S S+ 0 0 13 32,-0.9 2,-0.3 -2,-0.3 -34,-0.2 0.339 73.9 144.3 80.8 -1.6 64.6 39.5 -1.5 52 52 A C B -H 83 0B 0 31,-0.6 31,-1.3 -36,-0.1 -1,-0.2 -0.529 38.8-148.9 -75.9 131.1 64.7 42.3 -4.0 53 53 A F >> - 0 0 62 -2,-0.3 4,-1.7 29,-0.2 3,-0.6 -0.482 40.1 -97.7 -78.8 164.9 67.1 42.2 -6.9 54 54 A L H 3> S+ 0 0 27 25,-0.5 4,-2.2 27,-0.3 5,-0.2 0.876 124.4 56.8 -56.7 -38.7 68.3 45.7 -7.9 55 55 A H H 3> S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 106.5 50.4 -62.1 -36.0 65.8 45.9 -10.8 56 56 A Q H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.848 107.6 53.6 -66.6 -37.0 62.9 45.3 -8.2 57 57 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.907 108.4 49.9 -63.4 -41.1 64.3 48.1 -6.0 58 58 A K H X S+ 0 0 125 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.891 110.0 50.7 -66.0 -39.5 64.3 50.5 -8.9 59 59 A D H X S+ 0 0 39 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.909 111.0 49.0 -60.0 -44.5 60.7 49.6 -9.7 60 60 A X H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.938 110.6 48.7 -66.7 -45.2 59.7 50.2 -6.1 61 61 A K H >< S+ 0 0 87 -4,-2.6 3,-1.1 1,-0.2 6,-0.3 0.928 110.8 51.4 -60.4 -42.2 61.3 53.6 -5.9 62 62 A E H 3< S+ 0 0 148 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.912 112.4 46.9 -59.4 -38.4 59.7 54.6 -9.2 63 63 A A H 3< S+ 0 0 28 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.554 109.7 60.0 -78.7 -7.8 56.3 53.5 -7.7 64 64 A L S X< S- 0 0 0 -3,-1.1 3,-2.2 -4,-0.7 -1,-0.2 -0.610 72.2-165.0-125.8 71.8 57.1 55.3 -4.5 65 65 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.324 81.1 27.9 -53.7 132.5 57.6 59.1 -5.1 66 66 A G T 3 S+ 0 0 44 1,-0.3 24,-2.7 23,-0.1 25,-0.6 0.344 101.6 102.7 94.8 -6.3 59.2 60.6 -2.0 67 67 A Y E < -D 89 0A 18 -3,-2.2 -1,-0.3 -6,-0.3 2,-0.3 -0.846 43.5-177.3-105.9 146.1 61.0 57.4 -0.9 68 68 A D E -D 88 0A 50 20,-2.1 20,-2.2 -2,-0.3 2,-0.3 -0.825 13.5-144.4-121.9 175.6 64.6 56.4 -1.3 69 69 A Y E -D 87 0A 44 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.958 7.8-162.6-135.5 159.7 66.3 53.2 -0.3 70 70 A I E +D 86 0A 5 16,-2.0 16,-2.4 -2,-0.3 53,-0.1 -0.930 40.2 89.7-131.4 158.7 69.7 52.1 1.1 71 71 A G - 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