==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUN-10 3NJ3 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA PETROPHILA RKU-1; . AUTHOR C.R.SANTOS,A.N.MEZA,D.M.TRINDADE,R.RULLER,F.M.SQUINA,R.A.PRA . 653 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.4 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 45 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 6 0 2 2 0 0 0 2 2 4 2 2 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 10 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 PARALLEL BRIDGES PER LADDER . 6 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 1 0 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 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 15 A G 0 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-141.0 48.9 -2.0 6.8 2 16 A H - 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.974 360.0 -64.2-158.5 169.5 45.5 -0.5 7.2 3 17 A M - 0 0 118 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.137 37.5-136.9 -64.7 146.1 43.0 1.6 5.2 4 18 A Q S S+ 0 0 191 2,-0.0 2,-0.4 1,-0.0 -1,-0.1 0.905 84.7 53.4 -73.0 -45.7 43.9 5.2 4.3 5 19 A N - 0 0 118 1,-0.0 2,-0.8 2,-0.0 -2,-0.1 -0.786 66.9-157.6 -96.7 133.4 40.8 7.2 5.0 6 20 A V - 0 0 50 -2,-0.4 2,-0.1 4,-0.0 -2,-0.0 -0.865 24.2-170.4-114.5 88.9 39.4 6.8 8.5 7 21 A S > - 0 0 3 -2,-0.8 4,-2.0 35,-0.1 5,-0.2 -0.302 34.7-111.4 -83.2 165.6 35.8 7.8 8.0 8 22 A L H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 36,-0.2 0.914 117.4 51.5 -63.2 -39.0 33.1 8.4 10.6 9 23 A R H > S+ 0 0 25 34,-0.9 4,-2.7 33,-0.3 -1,-0.2 0.879 107.1 53.1 -72.1 -35.6 31.1 5.3 9.5 10 24 A E H > S+ 0 0 48 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.931 113.4 43.8 -57.2 -45.1 34.2 3.0 9.8 11 25 A L H X S+ 0 0 6 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.893 110.8 55.5 -66.3 -41.2 34.8 4.3 13.3 12 26 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 3,-0.6 0.917 105.9 52.2 -55.8 -48.7 31.0 4.0 14.0 13 27 A E H ><5S+ 0 0 102 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.850 105.7 52.3 -61.0 -35.9 31.1 0.3 13.0 14 28 A K H 3<5S+ 0 0 113 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.751 112.9 46.8 -68.8 -25.2 34.0 -0.5 15.4 15 29 A L T <<5S- 0 0 38 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.374 113.8-122.9 -90.1 -0.9 31.9 1.1 18.1 16 30 A N T < 5S+ 0 0 141 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.921 76.4 107.7 54.6 45.8 28.8 -0.9 17.0 17 31 A I < - 0 0 21 -5,-2.0 2,-0.3 -8,-0.2 -1,-0.2 -0.827 66.8-117.3-136.8 177.5 26.8 2.3 16.5 18 32 A Y E -a 279 0A 78 260,-1.5 262,-2.4 -2,-0.3 2,-0.4 -0.927 19.3-170.7-121.2 146.0 25.6 4.2 13.4 19 33 A I E +a 280 0A 1 -2,-0.3 26,-2.2 260,-0.2 27,-0.5 -0.992 31.9 115.3-139.1 129.8 26.5 7.8 12.3 20 34 A G E -ab 281 46A 0 260,-1.7 262,-3.1 -2,-0.4 2,-0.3 -0.749 40.5-108.8-166.7-149.1 24.7 9.5 9.5 21 35 A F E -ab 282 47A 2 25,-1.7 27,-2.3 260,-0.3 2,-0.5 -0.873 29.7 -89.6-159.3 169.4 22.5 12.2 8.1 22 36 A A E - b 0 48A 1 260,-0.8 2,-0.6 -2,-0.3 263,-0.1 -0.904 41.5-134.1-104.4 129.0 19.2 13.4 6.7 23 37 A A E - b 0 49A 1 25,-2.4 27,-2.7 -2,-0.5 28,-0.4 -0.753 20.6-122.8 -84.4 123.3 19.1 13.2 2.9 24 38 A I > - 0 0 34 -2,-0.6 3,-1.2 25,-0.2 -1,-0.1 -0.216 40.0 -80.3 -58.1 148.6 17.8 16.2 1.1 25 39 A N T 3 S- 0 0 57 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.211 113.5 -1.3 -39.3 125.2 14.8 16.0 -1.3 26 40 A N T > S+ 0 0 69 1,-0.1 3,-1.9 -3,-0.1 -1,-0.2 0.899 76.2 168.4 58.0 40.5 15.8 14.7 -4.7 27 41 A F G X + 0 0 4 -3,-1.2 3,-0.9 1,-0.3 10,-0.2 0.756 69.2 65.1 -58.3 -25.2 19.5 14.4 -3.7 28 42 A W G 3 S+ 0 0 66 1,-0.2 -1,-0.3 8,-0.1 -2,-0.1 0.552 104.9 44.7 -76.8 -6.7 20.1 12.3 -6.9 29 43 A S G < S+ 0 0 82 -3,-1.9 -1,-0.2 4,-0.1 -2,-0.2 0.265 79.4 127.2-125.9 18.9 19.3 15.4 -9.1 30 44 A L S X S- 0 0 28 -3,-0.9 3,-2.1 -4,-0.2 4,-0.2 -0.353 73.2-115.4 -62.0 152.2 21.1 18.2 -7.3 31 45 A S T 3 S+ 0 0 118 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.903 124.4 35.9 -52.5 -43.1 23.4 20.2 -9.5 32 46 A D T 3> S+ 0 0 23 1,-0.2 4,-2.2 2,-0.1 3,-0.5 -0.039 80.0 134.8-102.2 28.4 26.2 18.8 -7.3 33 47 A E H <> + 0 0 74 -3,-2.1 4,-2.9 1,-0.2 5,-0.3 0.856 68.2 56.4 -39.7 -48.3 24.5 15.3 -6.9 34 48 A E H > S+ 0 0 146 -3,-0.3 4,-2.7 -4,-0.2 -1,-0.2 0.940 111.2 40.0 -56.4 -48.7 27.8 13.5 -7.6 35 49 A K H > S+ 0 0 93 -3,-0.5 4,-2.6 1,-0.2 5,-0.3 0.945 115.1 51.7 -69.3 -49.6 29.8 15.2 -4.8 36 50 A Y H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 112.8 46.0 -46.5 -55.3 26.9 15.1 -2.3 37 51 A M H X S+ 0 0 35 -4,-2.9 4,-3.1 -5,-0.2 5,-0.3 0.936 112.0 51.3 -61.4 -46.7 26.4 11.4 -2.9 38 52 A E H X S+ 0 0 82 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.905 112.1 45.1 -54.9 -45.1 30.2 10.6 -2.6 39 53 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.954 113.9 51.3 -67.2 -44.8 30.7 12.5 0.7 40 54 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.937 112.3 43.2 -60.3 -52.0 27.6 10.8 2.1 41 55 A R H < S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.855 114.1 52.9 -61.1 -33.8 28.6 7.2 1.1 42 56 A R H < S+ 0 0 78 -4,-2.1 -33,-0.3 -5,-0.3 -1,-0.2 0.900 120.9 29.0 -65.0 -39.4 32.1 7.8 2.3 43 57 A E H < S+ 0 0 6 -4,-2.2 -34,-0.9 -5,-0.2 2,-0.3 0.699 109.4 55.6 -99.2 -23.3 31.1 9.0 5.8 44 58 A F < - 0 0 0 -4,-1.8 -24,-0.2 -5,-0.2 3,-0.1 -0.825 35.3-174.5-131.7 149.1 27.8 7.5 6.9 45 59 A N S S+ 0 0 10 -26,-2.2 38,-2.4 -2,-0.3 2,-0.3 0.179 77.0 57.7-128.3 17.3 26.0 4.2 7.6 46 60 A I E -bc 20 83A 0 -27,-0.5 -25,-1.7 36,-0.3 2,-0.4 -0.983 60.4-169.6-148.4 138.8 22.5 5.5 8.4 47 61 A L E -bc 21 84A 0 36,-2.4 38,-3.0 -2,-0.3 -25,-0.2 -0.988 8.5-171.2-135.0 131.7 20.1 7.7 6.3 48 62 A T E -b 22 0A 0 -27,-2.3 -25,-2.4 -2,-0.4 2,-0.2 -0.994 32.1-122.8-116.6 128.4 16.9 9.4 7.2 49 63 A P E -b 23 0A 0 0, 0.0 4,-0.2 0, 0.0 -25,-0.2 -0.534 19.5-140.3 -69.6 131.2 15.0 11.0 4.3 50 64 A E S S- 0 0 21 -27,-2.7 -26,-0.1 -2,-0.2 -28,-0.0 0.889 81.3 -23.2 -62.7 -39.3 14.6 14.7 5.2 51 65 A N S > S+ 0 0 27 -28,-0.4 3,-1.5 3,-0.1 6,-0.4 0.409 111.3 95.3-147.4 -14.1 11.0 15.0 3.9 52 66 A Q T 3 S+ 0 0 9 -29,-0.3 18,-0.5 1,-0.3 -2,-0.1 0.523 86.6 49.3 -82.9 -6.2 10.3 12.4 1.3 53 67 A M T 3 S+ 0 0 2 34,-0.5 -1,-0.3 -4,-0.2 2,-0.1 0.313 89.5 116.2 -99.0 7.0 8.7 9.9 3.6 54 68 A K S X> S- 0 0 13 -3,-1.5 4,-2.7 1,-0.1 3,-1.0 -0.327 83.2-104.8 -75.9 159.5 6.4 12.6 5.1 55 69 A W H 3> S+ 0 0 5 33,-0.3 4,-2.4 1,-0.3 40,-0.2 0.840 115.8 59.5 -53.4 -49.1 2.7 12.5 4.7 56 70 A D H 34 S+ 0 0 57 38,-1.7 -1,-0.3 1,-0.2 39,-0.1 0.808 116.0 29.9 -41.4 -52.3 2.7 15.2 2.0 57 71 A T H <4 S+ 0 0 37 -3,-1.0 -2,-0.2 -6,-0.4 -1,-0.2 0.890 124.2 43.1 -80.5 -44.7 4.9 13.4 -0.5 58 72 A I H < S+ 0 0 0 -4,-2.7 8,-3.1 1,-0.3 -2,-0.2 0.758 127.3 24.8 -83.0 -22.2 4.1 9.8 0.2 59 73 A H < + 0 0 0 -4,-2.4 -1,-0.3 -5,-0.4 6,-0.2 -0.536 67.4 161.0-139.0 66.7 0.3 10.1 0.5 60 74 A P + 0 0 34 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.605 68.4 28.0 -79.1 -8.4 -0.7 13.1 -1.5 61 75 A E B > S-I 64 0B 89 3,-1.2 3,-1.9 36,-0.1 334,-0.0 -0.963 89.6-106.3-143.3 152.8 -4.4 12.1 -1.9 62 76 A R T 3 S+ 0 0 93 -2,-0.3 -1,-0.1 1,-0.3 332,-0.0 0.855 119.8 30.5 -49.0 -38.1 -6.6 10.0 0.3 63 77 A D T 3 S+ 0 0 36 1,-0.0 331,-2.7 -3,-0.0 332,-0.7 0.133 108.7 78.1-117.0 24.8 -6.5 7.1 -2.2 64 78 A R E < -IJ 61 393B 82 -3,-1.9 -3,-1.2 329,-0.2 2,-0.3 -0.988 52.7-169.5-135.7 134.4 -3.1 7.5 -3.7 65 79 A Y E - J 0 392B 3 327,-1.7 327,-1.5 -2,-0.4 2,-0.5 -0.883 5.4-162.4-113.3 144.8 0.4 6.6 -2.4 66 80 A N E + J 0 391B 26 -8,-3.1 4,-0.3 -2,-0.3 325,-0.2 -0.893 19.5 163.6-130.0 100.8 3.6 7.7 -4.0 67 81 A F > + 0 0 1 323,-3.2 4,-2.8 -2,-0.5 5,-0.2 0.519 48.5 103.1 -92.4 0.9 6.6 5.7 -2.9 68 82 A T H > S+ 0 0 29 322,-0.6 4,-1.7 2,-0.2 -1,-0.1 0.896 83.7 37.1 -57.4 -61.6 8.8 6.9 -5.7 69 83 A P H >> S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 3,-0.6 0.954 117.8 52.4 -56.5 -48.5 11.1 9.5 -4.0 70 84 A A H 3> S+ 0 0 0 -18,-0.5 4,-2.4 -4,-0.3 -2,-0.2 0.891 105.7 55.0 -54.0 -42.1 11.2 7.4 -0.8 71 85 A E H 3X S+ 0 0 9 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.863 104.3 54.4 -63.4 -34.0 12.3 4.3 -2.9 72 86 A K H S+ 0 0 0 -4,-2.0 5,-3.5 1,-0.2 -2,-0.2 0.933 114.9 50.0 -62.6 -43.5 21.2 3.5 1.5 78 92 A E H ><5S+ 0 0 90 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.893 110.9 46.6 -60.9 -41.0 21.0 -0.2 0.3 79 93 A E H 3<5S+ 0 0 158 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 116.5 48.0 -75.5 -21.3 23.6 0.2 -2.4 80 94 A N T 3<5S- 0 0 22 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.139 114.0-112.7-108.7 23.7 25.7 2.0 0.1 81 95 A N T < 5S+ 0 0 130 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.834 71.7 138.3 48.0 34.5 25.4 -0.4 3.1 82 96 A M < - 0 0 8 -5,-3.5 -36,-0.3 -6,-0.2 2,-0.2 -0.831 51.0-128.7 -99.0 147.0 23.5 2.2 5.1 83 97 A I E -c 46 0A 25 -38,-2.4 -36,-2.4 -2,-0.4 2,-0.5 -0.601 25.0-119.6 -86.1 161.9 20.5 1.4 7.2 84 98 A V E -c 47 0A 3 43,-0.4 45,-1.7 -2,-0.2 46,-1.4 -0.899 15.5-159.9-112.0 124.3 17.3 3.5 6.7 85 99 A H E -d 130 0A 0 -38,-3.0 2,-0.2 -2,-0.5 46,-0.2 -0.914 22.2-138.2-103.8 111.4 15.7 5.5 9.4 86 100 A G E -d 131 0A 0 44,-4.2 46,-2.9 -2,-0.6 2,-0.3 -0.518 14.9-141.4 -82.1 137.1 12.0 6.2 8.6 87 101 A H E -d 132 0A 2 -2,-0.2 -34,-0.5 1,-0.2 46,-0.1 -0.950 52.0 -22.6-152.9 116.8 10.6 9.7 9.2 88 102 A T E + 0 0 3 44,-0.5 -33,-0.3 -2,-0.3 -1,-0.2 0.763 34.6 172.2-143.6 155.2 7.8 10.2 10.2 89 103 A L E S+ 0 0 1 43,-1.9 2,-0.5 1,-0.3 45,-0.2 0.851 86.4 28.1 -86.9 -38.6 4.4 8.4 10.4 90 104 A V E S+d 134 0A 1 43,-1.4 45,-2.2 42,-0.4 2,-0.3 -0.959 75.1 134.4-131.6 118.3 2.4 10.8 12.6 91 105 A W - 0 0 28 -2,-0.5 45,-0.1 -3,-0.2 46,-0.1 -0.969 52.3-127.1-156.2 164.7 3.2 14.6 12.8 92 106 A H S S+ 0 0 44 -2,-0.3 3,-0.3 43,-0.3 2,-0.2 0.595 86.8 66.8 -95.4 -16.1 1.3 17.9 12.8 93 107 A N S S+ 0 0 79 1,-0.2 -38,-0.2 0, 0.0 -2,-0.1 -0.673 90.5 28.0-106.9 167.1 3.3 19.5 10.0 94 108 A Q S S+ 0 0 70 -2,-0.2 -38,-1.7 1,-0.2 -1,-0.2 0.898 77.0 156.6 48.1 50.7 3.6 18.8 6.3 95 109 A L - 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