==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JAN-12 4DFS . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE, FAMILY 16; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA PETROPHILA; . AUTHOR A.N.MEZA,R.RULLER,R.A.PRADE,F.M.SQUINA,C.R.SANTOS,M.T.MURAKA . 504 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 39.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 . 68 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.0 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 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 . 3 4 3 2 10 5 4 0 2 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 2 0 0 0 3 1 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 7 A V 0 0 157 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.7 -84.8 47.7 -6.5 2 8 A E - 0 0 100 249,-0.1 2,-0.5 248,-0.0 248,-0.1 -0.670 360.0-163.9 -94.5 140.3 -83.7 45.1 -4.0 3 9 A D - 0 0 69 -2,-0.3 248,-2.3 2,-0.0 2,-0.6 -0.883 14.9-162.5-120.4 97.4 -84.2 45.3 -0.2 4 10 A W E -A 250 0A 50 -2,-0.5 2,-0.5 246,-0.2 246,-0.2 -0.709 8.0-175.6 -88.6 117.0 -81.9 42.7 1.4 5 11 A Q E -A 249 0A 100 244,-2.1 244,-1.3 -2,-0.6 2,-0.3 -0.949 29.9-118.2-111.9 127.7 -82.7 41.8 5.0 6 12 A L E +A 248 0A 89 -2,-0.5 242,-0.2 242,-0.2 3,-0.1 -0.457 42.5 160.3 -64.4 123.0 -80.5 39.4 6.9 7 13 A V E + 0 0 71 240,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.599 64.4 18.7-117.3 -22.1 -82.5 36.4 7.9 8 14 A W E +A 247 0A 45 239,-1.3 239,-2.5 2,-0.0 -1,-0.4 -0.974 66.2 165.3-156.1 135.0 -79.8 33.8 8.6 9 15 A S E -A 246 0A 43 -2,-0.3 2,-0.4 237,-0.2 237,-0.2 -0.999 26.3-157.3-154.1 152.2 -76.1 33.9 9.3 10 16 A Q E +A 245 0A 35 235,-1.3 235,-1.2 -2,-0.3 -2,-0.0 -0.923 17.3 168.4-131.1 106.8 -73.0 32.0 10.6 11 17 A E - 0 0 39 -2,-0.4 -1,-0.1 233,-0.2 46,-0.1 0.620 36.6-138.3 -94.6 -15.5 -70.3 34.3 11.9 12 18 A F + 0 0 10 44,-0.1 43,-0.1 233,-0.1 230,-0.1 0.892 53.4 142.9 56.3 44.1 -68.2 31.6 13.5 13 19 A D + 0 0 120 41,-0.1 42,-0.3 42,-0.0 41,-0.1 0.915 58.2 52.3 -76.4 -46.4 -67.5 33.9 16.5 14 20 A D S S- 0 0 109 2,-0.1 41,-0.3 41,-0.1 3,-0.0 0.327 92.2-107.1 -72.9-153.8 -67.6 31.1 19.1 15 21 A G S S+ 0 0 45 39,-0.1 37,-0.7 38,-0.1 2,-0.1 0.828 83.2 67.7-110.7 -48.5 -65.7 27.8 19.1 16 22 A V S S- 0 0 117 35,-0.1 2,-0.7 1,-0.1 -2,-0.1 -0.403 77.0-117.6 -83.1 155.3 -67.9 24.8 18.2 17 23 A I - 0 0 32 33,-0.1 -1,-0.1 -2,-0.1 33,-0.0 -0.835 36.6-116.5 -91.9 115.3 -69.6 24.0 14.9 18 24 A D >> - 0 0 60 -2,-0.7 4,-2.2 1,-0.2 3,-1.8 -0.330 21.3-160.5 -59.3 110.0 -73.4 24.0 15.5 19 25 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.650 86.3 71.1 -67.7 -16.2 -74.6 20.5 14.8 20 26 A N T 34 S+ 0 0 121 1,-0.1 -2,-0.1 3,-0.0 3,-0.1 0.542 114.4 24.5 -74.8 -7.4 -78.1 21.8 14.3 21 27 A I T <4 S+ 0 0 19 -3,-1.8 2,-0.4 1,-0.2 65,-0.2 0.684 113.5 64.4-121.1 -43.3 -76.9 23.3 11.0 22 28 A W < - 0 0 6 -4,-2.2 2,-0.3 60,-0.1 60,-0.2 -0.753 51.9-168.5-104.5 132.1 -73.9 21.4 9.7 23 29 A N E -H 81 0B 45 58,-2.9 58,-1.6 -2,-0.4 2,-0.6 -0.809 18.0-137.0-104.9 153.5 -73.6 17.9 8.5 24 30 A F E -H 80 0B 51 -2,-0.3 56,-0.2 56,-0.2 2,-0.1 -0.903 13.5-144.4-116.7 105.4 -70.2 16.2 7.9 25 31 A E E -H 79 0B 30 54,-2.6 54,-0.6 -2,-0.6 2,-0.4 -0.372 20.2-151.7 -63.3 141.4 -70.0 14.1 4.8 26 32 A I + 0 0 77 52,-0.1 3,-0.4 -2,-0.1 5,-0.2 -0.943 39.8 1.4-123.8 138.6 -67.8 11.0 5.2 27 33 A G B S-O 45 0C 6 18,-2.4 18,-1.5 -2,-0.4 -2,-0.0 -0.288 93.2 -57.2 96.7-173.0 -65.7 8.9 2.9 28 34 A N S S- 0 0 14 16,-0.2 9,-1.2 -2,-0.1 8,-0.6 0.393 85.5 -93.8 -90.8 0.7 -64.6 8.9 -0.8 29 35 A G S >S+ 0 0 2 -3,-0.4 5,-2.4 7,-0.2 3,-0.4 0.505 91.6 123.9 102.6 8.0 -68.3 8.8 -1.7 30 36 A H T > 5S+ 0 0 42 1,-0.2 3,-1.1 3,-0.2 -3,-0.1 0.833 70.2 58.5 -69.5 -33.9 -68.7 5.0 -2.1 31 37 A A T 3 5S+ 0 0 87 1,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.793 106.4 49.5 -65.8 -28.6 -71.6 4.9 0.4 32 38 A K T 3 5S- 0 0 131 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.410 124.3-105.7 -90.6 0.3 -73.5 7.3 -1.8 33 39 A G T < 5S+ 0 0 57 -3,-1.1 -3,-0.2 -4,-0.2 -2,-0.1 0.578 92.5 99.8 90.3 11.5 -72.8 5.2 -4.8 34 40 A I > < - 0 0 80 -5,-2.4 3,-1.7 5,-0.0 5,-0.2 -0.771 61.4-148.8-134.2 90.8 -70.2 7.4 -6.5 35 41 A P G > S+ 0 0 78 0, 0.0 3,-1.4 0, 0.0 5,-0.5 -0.286 88.2 12.3 -56.0 135.2 -66.5 6.4 -6.0 36 42 A G G > >S- 0 0 4 -8,-0.6 5,-2.9 1,-0.3 3,-1.3 0.689 126.4 -80.9 67.0 18.5 -64.2 9.4 -5.9 37 43 A W G < 5S- 0 0 23 -3,-1.7 -1,-0.3 -9,-1.2 -8,-0.1 0.734 77.5 -70.3 56.6 26.2 -67.3 11.5 -5.6 38 44 A G G < 5S+ 0 0 47 -3,-1.4 -1,-0.3 3,-0.1 -2,-0.1 0.181 134.7 71.9 84.6 -18.6 -67.8 11.2 -9.4 39 45 A N T < 5S- 0 0 61 -3,-1.3 186,-1.2 -5,-0.2 -2,-0.2 0.225 112.8-103.7-111.7 11.9 -64.8 13.4 -10.2 40 46 A G T 5 + 0 0 16 -5,-0.5 -3,-0.2 -4,-0.2 -4,-0.2 0.915 57.1 179.1 64.7 43.2 -62.0 11.0 -9.2 41 47 A E < - 0 0 18 -5,-2.9 182,-0.2 -13,-0.2 -1,-0.2 -0.497 23.2-157.4 -77.0 148.6 -61.4 12.9 -6.0 42 48 A L + 0 0 59 180,-1.9 33,-0.6 -2,-0.2 32,-0.2 0.673 57.4 99.0 -99.7 -21.7 -58.6 11.5 -3.7 43 49 A E E - p 0 75C 0 179,-0.5 2,-0.7 180,-0.2 33,-0.2 -0.300 62.2-140.6 -77.5 152.5 -59.6 13.0 -0.4 44 50 A Y E - p 0 76C 41 31,-2.1 33,-1.3 -16,-0.1 -16,-0.2 -0.918 21.0-142.5-109.9 102.4 -61.5 11.2 2.4 45 51 A Y E +Op 27 77C 0 -18,-1.5 -18,-2.4 -2,-0.7 33,-0.3 -0.431 31.6 164.3 -64.0 134.6 -64.0 13.7 4.0 46 52 A T E - p 0 78C 16 31,-2.9 33,-0.6 -20,-0.2 -1,-0.1 -0.366 46.2-110.7-126.3-151.3 -64.3 13.3 7.7 47 53 A D S S+ 0 0 93 -2,-0.1 3,-0.4 31,-0.1 31,-0.1 0.464 105.2 62.3-124.5 -14.4 -65.6 15.3 10.7 48 54 A E S S+ 0 0 146 1,-0.2 30,-0.1 29,-0.2 3,-0.0 -0.060 82.6 79.2-106.5 30.6 -62.3 16.1 12.4 49 55 A N S S+ 0 0 2 28,-0.1 11,-2.6 1,-0.0 2,-0.3 0.171 87.5 65.8-115.5 13.3 -60.8 18.2 9.6 50 56 A A E +B 59 0A 11 -3,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.995 54.5 146.9-137.9 143.6 -62.9 21.3 10.4 51 57 A F E -B 58 0A 65 7,-2.1 7,-3.4 -2,-0.3 2,-0.5 -0.960 38.9-115.7-161.2 172.1 -62.9 23.7 13.4 52 58 A V E +B 57 0A 13 -37,-0.7 2,-0.3 -2,-0.3 5,-0.2 -0.915 42.3 146.6-126.7 106.5 -63.5 27.3 14.4 53 59 A E E > +B 56 0A 125 3,-1.2 3,-1.1 -2,-0.5 -2,-0.1 -0.986 63.5 15.5-136.2 150.0 -60.7 29.3 15.9 54 60 A N T 3 S- 0 0 160 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.781 130.1 -60.1 59.0 30.2 -59.8 33.0 15.6 55 61 A G T 3 S+ 0 0 23 -41,-0.3 2,-0.4 -42,-0.3 -1,-0.2 0.577 113.4 101.1 82.6 12.1 -63.3 33.9 14.3 56 62 A C E < S-B 53 0A 14 -3,-1.1 -3,-1.2 -43,-0.1 2,-0.8 -0.978 73.4-120.6-133.9 142.6 -63.1 31.7 11.2 57 63 A L E -BC 52 242A 0 185,-2.5 185,-0.9 -2,-0.4 2,-0.6 -0.711 36.8-157.3 -76.0 110.3 -64.5 28.3 10.1 58 64 A V E -BC 51 241A 1 -7,-3.4 -7,-2.1 -2,-0.8 2,-0.7 -0.830 14.4-171.8 -99.2 119.0 -61.3 26.5 9.2 59 65 A I E -BC 50 240A 0 181,-1.6 181,-2.1 -2,-0.6 2,-0.6 -0.921 14.5-162.4-107.5 107.0 -61.5 23.5 6.8 60 66 A E E - 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