==== 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 3NIY . 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 . 651 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 15.1 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 . 40 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 35.6 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 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 12 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 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 16 A H 0 0 240 0, 0.0 2,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 76.7 -45.6 -7.7 -1.3 2 17 A M - 0 0 128 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.447 360.0-116.4 -63.4 148.8 -43.5 -5.0 -2.4 3 18 A Q S S+ 0 0 193 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.772 94.3 48.1 -68.1 -30.8 -44.6 -3.7 -5.8 4 19 A N - 0 0 122 2,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.805 67.3-152.8-110.7 155.0 -41.5 -4.6 -7.8 5 20 A V - 0 0 56 -2,-0.3 2,-0.2 -4,-0.1 -2,-0.0 -0.957 23.0-166.6-123.8 107.9 -39.8 -7.9 -7.7 6 21 A S > - 0 0 7 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.563 33.0-113.8 -93.5 168.2 -36.1 -7.4 -8.5 7 22 A L H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 36,-0.1 0.922 117.2 51.7 -62.4 -44.4 -33.3 -9.8 -9.4 8 23 A R H > S+ 0 0 30 34,-0.9 4,-2.5 33,-0.3 -1,-0.2 0.862 106.7 53.5 -65.2 -33.6 -31.5 -9.0 -6.2 9 24 A E H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 111.7 45.1 -64.5 -40.6 -34.6 -9.7 -4.1 10 25 A L H X S+ 0 0 9 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.916 112.0 52.1 -70.0 -38.2 -35.0 -13.1 -5.7 11 26 A A H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 3,-0.5 0.919 105.5 54.8 -61.2 -42.0 -31.3 -13.8 -5.3 12 27 A E H ><5S+ 0 0 107 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.923 107.4 51.9 -58.8 -45.6 -31.5 -12.9 -1.5 13 28 A K H 3<5S+ 0 0 131 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.823 113.4 42.9 -59.7 -30.1 -34.3 -15.5 -1.2 14 29 A L T 3<5S- 0 0 39 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.365 112.8-120.6 -97.2 8.0 -32.2 -18.2 -2.9 15 30 A N T < 5S+ 0 0 144 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.859 76.5 112.5 52.5 39.3 -29.1 -17.1 -0.8 16 31 A I < - 0 0 21 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.832 64.9-120.2-125.3 172.5 -27.1 -16.3 -4.0 17 32 A Y E -a 278 0A 78 260,-1.6 262,-2.2 -2,-0.3 2,-0.4 -0.923 19.7-170.6-110.5 148.9 -25.8 -13.2 -5.5 18 33 A I E +a 279 0A 0 -2,-0.4 26,-2.7 260,-0.2 27,-0.6 -0.995 30.2 123.7-134.2 130.5 -26.8 -11.7 -8.9 19 34 A G E -ab 280 45A 0 260,-2.1 262,-2.3 -2,-0.4 2,-0.3 -0.711 38.4-113.7-164.9-150.3 -24.9 -8.8 -10.3 20 35 A F E -ab 281 46A 1 25,-1.8 27,-2.1 260,-0.3 2,-0.4 -0.876 28.0 -95.1-157.7 168.0 -22.8 -7.0 -12.9 21 36 A A E - b 0 47A 1 260,-0.6 2,-0.5 -2,-0.3 263,-0.1 -0.927 38.5-134.7-104.2 133.7 -19.6 -5.5 -14.0 22 37 A A E - b 0 48A 0 25,-2.4 27,-2.6 -2,-0.4 28,-0.5 -0.780 17.6-125.6 -97.3 128.0 -19.4 -1.7 -13.6 23 38 A I > - 0 0 37 -2,-0.5 3,-1.3 1,-0.2 -1,-0.1 -0.188 41.7 -81.5 -67.7 149.3 -18.0 0.4 -16.5 24 39 A N T 3 S+ 0 0 58 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.250 112.0 1.0 -49.9 140.5 -15.0 2.8 -15.8 25 40 A N T > S+ 0 0 71 1,-0.1 3,-1.9 -3,-0.1 4,-0.4 0.864 76.8 164.0 51.4 43.2 -16.1 6.0 -14.3 26 41 A F G X + 0 0 3 -3,-1.3 3,-1.0 1,-0.3 10,-0.2 0.816 68.4 64.5 -61.1 -29.2 -19.7 5.1 -14.2 27 42 A W G 3 S+ 0 0 63 1,-0.2 -1,-0.3 8,-0.1 -2,-0.1 0.618 105.4 44.1 -71.5 -9.2 -20.4 7.9 -11.8 28 43 A S G < S+ 0 0 84 -3,-1.9 -1,-0.2 4,-0.1 -2,-0.2 0.346 81.9 122.8-119.9 9.9 -19.5 10.5 -14.5 29 44 A L S X S- 0 0 30 -3,-1.0 3,-2.1 -4,-0.4 4,-0.2 -0.327 75.9-114.7 -62.5 153.6 -21.3 9.0 -17.5 30 45 A S T 3 S+ 0 0 125 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.899 121.7 38.3 -57.7 -36.6 -23.8 11.4 -19.2 31 46 A D T 3> S+ 0 0 30 1,-0.2 4,-2.8 2,-0.1 3,-0.3 -0.032 78.3 131.7-103.2 33.8 -26.5 8.9 -18.1 32 47 A E H <> + 0 0 73 -3,-2.1 4,-2.8 1,-0.2 5,-0.3 0.818 68.1 57.1 -44.5 -42.5 -24.9 8.2 -14.7 33 48 A E H > S+ 0 0 151 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.958 111.7 39.3 -63.1 -45.9 -28.2 8.7 -12.9 34 49 A K H > S+ 0 0 92 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.914 115.8 52.4 -70.1 -44.9 -30.1 6.1 -14.9 35 50 A Y H X S+ 0 0 5 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.938 112.8 44.2 -56.1 -48.8 -27.2 3.7 -15.0 36 51 A M H X S+ 0 0 23 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.845 112.5 53.2 -64.7 -35.7 -26.7 3.8 -11.2 37 52 A E H X S+ 0 0 81 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.958 110.2 45.0 -67.1 -42.5 -30.5 3.5 -10.6 38 53 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.951 114.8 51.1 -65.8 -43.3 -31.0 0.4 -12.7 39 54 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.940 112.4 43.5 -59.6 -50.6 -27.8 -1.1 -11.0 40 55 A R H < S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.0 51.8 -64.8 -30.7 -28.9 -0.5 -7.4 41 56 A R H < S+ 0 0 80 -4,-2.2 -33,-0.3 -5,-0.2 -2,-0.2 0.910 121.8 28.9 -68.7 -36.0 -32.4 -1.7 -8.1 42 57 A E H < S+ 0 0 5 -4,-2.4 -34,-0.9 -5,-0.2 2,-0.3 0.735 107.9 58.2 -97.8 -29.8 -31.4 -5.0 -9.7 43 58 A F < - 0 0 0 -4,-2.3 -24,-0.2 -5,-0.2 3,-0.1 -0.790 36.3-173.8-124.9 152.8 -28.1 -6.3 -8.3 44 59 A N S S+ 0 0 9 -26,-2.7 38,-2.2 -2,-0.3 2,-0.3 0.305 76.6 49.4-126.6 19.4 -26.3 -7.3 -5.2 45 60 A I E -bc 19 82A 0 -27,-0.6 -25,-1.8 36,-0.3 2,-0.4 -0.978 62.4-165.8-152.2 141.0 -22.7 -7.9 -6.3 46 61 A L E -bc 20 83A 0 36,-2.2 38,-2.5 -2,-0.3 -25,-0.2 -0.985 7.9-168.4-130.8 134.9 -20.4 -5.6 -8.4 47 62 A T E -b 21 0A 0 -27,-2.1 -25,-2.4 -2,-0.4 2,-0.3 -0.989 30.0-124.4-115.1 127.4 -17.2 -6.3 -10.2 48 63 A P E -b 22 0A 0 0, 0.0 4,-0.3 0, 0.0 -25,-0.2 -0.599 19.2-141.7 -69.2 130.2 -15.3 -3.2 -11.5 49 64 A E S S- 0 0 22 -27,-2.6 -26,-0.1 -2,-0.3 -28,-0.0 0.877 81.6 -20.6 -62.7 -41.2 -14.8 -4.0 -15.2 50 65 A N S > S+ 0 0 34 -28,-0.5 3,-1.9 3,-0.1 6,-0.3 0.511 109.4 93.2-140.8 -19.2 -11.3 -2.5 -15.4 51 66 A Q T 3 S+ 0 0 9 1,-0.3 18,-0.4 5,-0.1 -2,-0.1 0.527 88.8 51.0 -82.6 6.1 -10.5 -0.1 -12.6 52 67 A M T 3 S+ 0 0 2 34,-0.5 -1,-0.3 -4,-0.3 2,-0.1 0.351 89.7 108.8-104.6 0.9 -8.9 -2.7 -10.2 53 68 A K S X> S- 0 0 17 -3,-1.9 4,-2.8 1,-0.1 3,-1.4 -0.386 86.8-101.5 -72.9 163.1 -6.6 -4.0 -13.0 54 69 A W H 3> S+ 0 0 6 33,-0.4 4,-2.5 1,-0.3 40,-0.1 0.828 116.2 59.3 -52.1 -46.3 -2.9 -3.2 -13.0 55 70 A D H 34 S+ 0 0 71 38,-0.7 -1,-0.3 1,-0.2 39,-0.1 0.800 117.2 33.3 -57.8 -29.3 -2.9 -0.3 -15.6 56 71 A T H <4 S+ 0 0 37 -3,-1.4 -2,-0.2 -6,-0.3 9,-0.2 0.885 126.7 36.2 -93.9 -48.6 -5.3 1.7 -13.4 57 72 A I H < S+ 0 0 0 -4,-2.8 8,-1.9 1,-0.3 -3,-0.2 0.686 129.6 26.5 -81.8 -23.5 -4.3 0.7 -9.8 58 73 A H < + 0 0 0 -4,-2.5 -1,-0.3 -5,-0.4 6,-0.2 -0.489 68.3 158.6-135.4 62.0 -0.5 0.3 -10.2 59 74 A P + 0 0 43 0, 0.0 38,-0.3 0, 0.0 2,-0.3 0.685 68.7 24.0 -74.1 -18.2 0.5 2.6 -13.1 60 75 A E B > S-I 63 0B 104 3,-0.9 3,-2.0 36,-0.1 333,-0.0 -0.957 93.1-100.9-136.3 161.4 4.1 3.0 -12.2 61 76 A R T 3 S+ 0 0 101 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.831 120.9 25.7 -51.9 -42.8 6.4 0.7 -10.2 62 77 A D T 3 S+ 0 0 36 -3,-0.0 330,-3.3 2,-0.0 2,-0.4 0.163 107.8 87.0-113.5 26.8 6.2 2.7 -7.0 63 78 A R E < -IJ 60 391B 91 -3,-2.0 -3,-0.9 328,-0.2 2,-0.4 -0.968 50.0-173.8-127.0 130.8 2.9 4.5 -7.5 64 79 A Y E - J 0 390B 2 326,-2.0 326,-2.1 -2,-0.4 2,-0.5 -0.964 5.2-167.6-121.6 139.4 -0.6 3.1 -6.5 65 80 A N E + J 0 389B 40 -8,-1.9 4,-0.3 -2,-0.4 324,-0.2 -0.865 18.1 162.7-127.0 102.2 -3.9 4.8 -7.4 66 81 A F > + 0 0 1 322,-3.1 4,-2.6 -2,-0.5 5,-0.2 0.388 47.6 104.6 -92.7 3.2 -6.8 3.4 -5.6 67 82 A T H > S+ 0 0 33 321,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.914 83.4 38.3 -63.7 -45.9 -9.1 6.4 -6.3 68 83 A P H >> S+ 0 0 15 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.932 115.7 52.9 -74.6 -40.7 -11.3 4.9 -9.0 69 84 A A H 3> S+ 0 0 0 -18,-0.4 4,-2.4 -4,-0.3 -2,-0.2 0.880 105.2 55.8 -53.2 -39.1 -11.5 1.5 -7.3 70 85 A E H 3X S+ 0 0 25 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.840 102.1 57.1 -66.7 -30.9 -12.7 3.2 -4.1 71 86 A K H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 3,-0.6 0.962 113.2 46.9 -62.2 -46.4 -21.4 -1.1 -3.7 77 92 A E H ><5S+ 0 0 94 -4,-2.9 3,-1.4 1,-0.3 -2,-0.2 0.914 110.6 52.9 -66.7 -36.7 -21.3 -0.5 0.1 78 93 A E H 3<5S+ 0 0 119 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.739 115.2 41.1 -66.1 -25.9 -23.9 2.3 -0.1 79 94 A N T <<5S- 0 0 19 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.019 116.5-108.0-113.2 24.0 -26.3 0.0 -2.0 80 95 A N T < 5S+ 0 0 135 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.811 71.4 140.4 50.8 42.1 -25.7 -3.2 0.0 81 96 A M < - 0 0 11 -5,-2.9 -36,-0.3 -6,-0.2 -1,-0.2 -0.843 48.7-129.1-107.3 146.2 -23.7 -5.0 -2.7 82 97 A I E -c 45 0A 30 -38,-2.2 -36,-2.2 -2,-0.4 2,-0.5 -0.543 25.9-121.8 -84.9 160.1 -20.7 -7.1 -2.2 83 98 A V E -c 46 0A 3 43,-0.4 45,-1.9 -38,-0.2 46,-1.4 -0.921 14.5-160.1-111.4 132.1 -17.6 -6.5 -4.2 84 99 A H E -d 129 0A 1 -38,-2.5 2,-0.3 -2,-0.5 46,-0.2 -0.945 21.0-140.6-104.6 113.9 -15.8 -9.0 -6.5 85 100 A G E -d 130 0A 0 44,-3.2 46,-3.0 -2,-0.6 2,-0.3 -0.498 15.5-141.4 -80.7 138.7 -12.2 -7.9 -7.1 86 101 A H E -d 131 0A 4 -2,-0.3 -34,-0.5 1,-0.2 46,-0.1 -0.959 53.4 -13.7-148.1 124.2 -10.9 -8.3 -10.6 87 102 A T E + 0 0 3 44,-0.6 -33,-0.4 -2,-0.3 -1,-0.2 0.739 35.1 168.5-141.1 151.3 -8.0 -9.2 -11.2 88 103 A L E S+ 0 0 1 43,-2.3 2,-0.4 1,-0.2 45,-0.2 0.841 87.1 26.2 -82.8 -39.1 -4.7 -9.6 -9.5 89 104 A V E S+d 133 0A 1 43,-1.0 45,-2.2 42,-0.4 2,-0.3 -0.972 73.1 139.2-131.6 118.3 -2.7 -11.6 -12.1 90 105 A W - 0 0 29 -2,-0.4 45,-0.1 43,-0.2 58,-0.1 -0.950 47.6-129.5-153.3 161.7 -3.5 -11.5 -15.8 91 106 A H S S+ 0 0 39 -2,-0.3 3,-0.3 43,-0.3 2,-0.2 0.593 80.5 71.4 -92.4 -15.9 -1.4 -11.3 -19.1 92 107 A N S S+ 0 0 77 1,-0.2 -2,-0.1 54,-0.1 54,-0.0 -0.690 89.9 20.1-106.8 163.1 -3.1 -8.4 -20.8 93 108 A Q S S+ 0 0 99 -2,-0.2 -38,-0.7 1,-0.2 -1,-0.2 0.914 74.2 161.2 48.0 50.2 -3.1 -4.7 -20.3 94 109 A L - 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