==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-11 2Y6H . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR L.VON SCHANTZ,M.HAKANSSON,D.T.LOGAN,B.WALSE,J.OSTERLIN, . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 37.7 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 24 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 1 2 1 2 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 . 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 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 M 0 0 192 0, 0.0 2,-0.5 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0 153.4 22.0 -5.6 5.8 2 2 A L + 0 0 153 164,-0.1 2,-0.3 161,-0.0 164,-0.3 -0.974 360.0 171.6-109.4 123.1 21.1 -2.0 5.8 3 3 A V - 0 0 67 -2,-0.5 162,-0.2 2,-0.1 76,-0.1 -0.963 35.5-141.2-133.0 150.5 18.6 -1.1 3.1 4 4 A A S S+ 0 0 11 160,-3.0 75,-2.5 -2,-0.3 2,-0.2 0.767 84.1 65.4 -78.8 -29.4 16.7 2.1 2.4 5 5 A N S S- 0 0 6 159,-0.3 2,-0.4 73,-0.2 3,-0.3 -0.510 78.8-123.8 -96.2 169.2 13.5 0.4 1.5 6 6 A I S S- 0 0 58 71,-0.5 70,-0.2 21,-0.3 4,-0.1 -0.884 82.4 -0.2-118.0 138.2 11.1 -1.7 3.6 7 7 A N S > S+ 0 0 20 -2,-0.4 3,-1.6 1,-0.1 -1,-0.2 0.893 72.1 169.0 54.1 42.9 9.9 -5.2 3.0 8 8 A G T 3 S+ 0 0 10 1,-0.3 154,-2.5 -3,-0.3 -1,-0.1 0.654 74.8 41.3 -60.7 -21.6 11.9 -5.4 -0.1 9 9 A G T 3 S- 0 0 5 152,-0.3 46,-0.3 151,-0.2 -1,-0.3 0.192 107.2-119.9-113.8 12.0 11.3 -9.2 -0.4 10 10 A F S X S+ 0 0 1 -3,-1.6 3,-1.6 16,-0.1 46,-0.1 0.545 71.6 133.4 66.4 13.1 7.7 -9.3 0.6 11 11 A E T 3 + 0 0 57 1,-0.3 -1,-0.1 44,-0.1 4,-0.1 0.741 64.9 57.2 -72.7 -21.1 8.5 -11.5 3.5 12 12 A S T 3 S+ 0 0 77 14,-0.1 -1,-0.3 2,-0.1 14,-0.1 0.504 91.9 89.8 -79.8 -8.4 6.4 -9.4 6.0 13 13 A T S < S- 0 0 7 -3,-1.6 3,-0.1 13,-0.1 12,-0.1 -0.795 81.5-116.1-100.7 132.5 3.2 -9.8 3.9 14 14 A P - 0 0 103 0, 0.0 30,-0.2 0, 0.0 -2,-0.1 -0.314 42.7-102.7 -57.1 137.8 0.6 -12.6 4.2 15 15 A A S S+ 0 0 48 -4,-0.1 2,-0.2 28,-0.1 30,-0.2 -0.357 75.6 86.7 -59.3 144.5 0.5 -14.8 1.1 16 16 A G E S-A 44 0A 28 28,-2.7 28,-2.6 -3,-0.1 2,-0.2 -0.746 81.9 -54.8 146.5 163.7 -2.5 -14.0 -1.1 17 17 A V E -A 43 0A 84 26,-0.3 2,-0.6 -2,-0.2 26,-0.3 -0.504 54.5-129.2 -67.2 137.2 -3.9 -11.9 -3.8 18 18 A V + 0 0 17 24,-2.9 24,-0.5 -2,-0.2 3,-0.1 -0.846 39.6 159.1 -93.6 121.8 -3.6 -8.2 -3.0 19 19 A T + 0 0 129 -2,-0.6 2,-1.4 1,-0.1 -1,-0.2 0.709 67.7 71.0-110.9 -28.0 -6.8 -6.1 -3.4 20 20 A D > + 0 0 82 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.713 67.7 175.7 -85.7 88.6 -5.8 -3.2 -1.1 21 21 A L T 4 + 0 0 44 -2,-1.4 9,-2.6 1,-0.2 4,-0.3 0.897 68.3 46.4 -71.0 -38.5 -3.2 -2.0 -3.6 22 22 A A T 4 S+ 0 0 52 7,-0.2 -1,-0.2 1,-0.2 6,-0.1 0.857 134.5 8.8 -74.0 -33.4 -2.1 1.2 -1.8 23 23 A E T 4 S+ 0 0 154 6,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.387 97.9 95.9-131.9 2.8 -1.6 -0.3 1.6 24 24 A G S < S+ 0 0 34 -4,-2.4 2,-0.5 1,-0.2 -3,-0.1 0.738 86.3 52.3 -65.5 -23.4 -2.0 -4.1 1.4 25 25 A V S > S- 0 0 2 3,-0.4 3,-2.1 -4,-0.3 -1,-0.2 -0.952 89.4-126.1-121.8 110.4 1.8 -4.6 1.2 26 26 A E T 3 S+ 0 0 110 -2,-0.5 -16,-0.1 1,-0.3 -14,-0.1 -0.239 96.0 16.4 -50.1 133.5 4.1 -3.0 3.8 27 27 A G T 3 S+ 0 0 9 1,-0.2 49,-2.1 49,-0.1 -21,-0.3 0.435 115.4 83.9 84.8 -1.4 6.7 -0.9 2.1 28 28 A W E < -F 75 0B 8 -3,-2.1 2,-0.4 47,-0.3 -3,-0.4 -0.960 56.3-156.6-138.7 152.3 5.0 -0.8 -1.2 29 29 A D E -F 74 0B 37 45,-2.6 45,-2.6 -2,-0.3 2,-0.3 -0.987 19.2-166.0-124.9 112.6 2.3 1.2 -3.1 30 30 A L E -F 73 0B 2 -9,-2.6 2,-0.3 -2,-0.4 43,-0.2 -0.782 10.1-176.2-100.7 147.6 0.7 -0.8 -5.9 31 31 A N E -F 72 0B 76 41,-2.6 41,-2.3 -2,-0.3 2,-0.4 -0.997 20.8-168.8-149.0 143.0 -1.4 1.1 -8.5 32 32 A V E -F 71 0B 40 -2,-0.3 39,-0.2 39,-0.2 38,-0.1 -0.992 26.0-134.7-128.7 117.3 -3.5 0.3 -11.5 33 33 A G > - 0 0 18 37,-2.7 3,-1.8 -2,-0.4 37,-0.0 -0.316 22.5-113.9 -69.1 156.4 -4.7 3.3 -13.7 34 34 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.1 36,-0.0 0.673 111.1 71.6 -69.5 -13.1 -8.3 3.5 -14.9 35 35 A S T 3 S+ 0 0 47 1,-0.1 2,-1.0 32,-0.0 -1,-0.3 0.641 76.9 89.1 -74.5 -13.7 -7.2 3.0 -18.5 36 36 A V < + 0 0 11 -3,-1.8 29,-0.2 34,-0.2 -1,-0.1 -0.739 55.7 177.2 -84.7 97.8 -6.4 -0.6 -17.6 37 37 A T S S+ 0 0 127 -2,-1.0 -1,-0.2 27,-0.5 28,-0.1 0.748 75.1 48.2 -76.8 -29.3 -9.8 -2.2 -18.4 38 38 A N S S- 0 0 85 26,-0.2 24,-0.4 -3,-0.1 -1,-0.2 -0.896 94.8-144.3-114.1 89.2 -8.7 -5.7 -17.6 39 39 A P - 0 0 72 0, 0.0 -2,-0.1 0, 0.0 25,-0.1 -0.164 10.4-117.5 -64.5 151.9 -6.9 -5.3 -14.3 40 40 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 21,-0.2 -0.272 21.2-118.4 -76.2 169.5 -3.8 -7.3 -13.4 41 41 A V E - B 0 60A 57 19,-2.1 19,-2.8 2,-0.0 2,-0.5 -0.968 22.7-165.1-112.3 118.9 -3.5 -9.7 -10.5 42 42 A F E + B 0 59A 3 -2,-0.5 -24,-2.9 -24,-0.5 2,-0.4 -0.904 18.0 172.5 -97.1 128.1 -1.0 -8.8 -7.8 43 43 A E E -AB 17 58A 68 15,-2.5 15,-3.0 -2,-0.5 2,-0.7 -0.995 34.5-140.0-141.6 133.4 -0.3 -11.7 -5.5 44 44 A V E -AB 16 57A 1 -28,-2.6 -28,-2.7 -2,-0.4 2,-0.4 -0.871 36.2-163.1 -87.3 117.9 2.3 -12.4 -2.8 45 45 A L E - B 0 56A 47 11,-2.6 11,-2.1 -2,-0.7 2,-0.6 -0.917 21.3-143.9-109.9 132.1 3.2 -16.0 -3.5 46 46 A E E + B 0 55A 128 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.858 39.8 160.2 -88.6 121.7 5.0 -18.5 -1.2 47 47 A T > - 0 0 46 7,-2.2 3,-1.9 -2,-0.6 -2,-0.0 -1.000 48.0-128.7-146.3 144.0 7.2 -20.5 -3.5 48 48 A S T 3 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 7,-0.1 0.813 106.5 54.8 -69.8 -22.8 10.3 -22.7 -3.1 49 49 A D T 3 S+ 0 0 84 5,-0.1 -1,-0.3 -3,-0.0 5,-0.1 0.214 71.9 137.6 -99.7 29.0 12.3 -20.9 -5.7 50 50 A A < - 0 0 14 -3,-1.9 6,-0.1 4,-0.2 3,-0.1 -0.466 53.7-140.0 -56.3 131.5 11.9 -17.5 -4.2 51 51 A P S S+ 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.796 86.9 28.0 -63.7 -26.9 15.2 -15.9 -4.4 52 52 A E S S- 0 0 73 3,-0.3 3,-0.5 -43,-0.1 109,-0.1 -0.996 124.7 -28.1-135.2 129.9 14.9 -14.3 -0.9 53 53 A G S S- 0 0 46 -2,-0.4 -3,-0.1 1,-0.2 -43,-0.1 -0.303 97.7 -62.6 67.1-152.1 12.8 -15.6 1.9 54 54 A N S S+ 0 0 107 -45,-0.1 -7,-2.2 -5,-0.1 2,-0.3 0.407 109.1 70.6-112.2 -8.0 9.8 -17.7 1.0 55 55 A K E +B 46 0A 27 -3,-0.5 -3,-0.3 -46,-0.3 2,-0.3 -0.880 46.5 177.7-123.2 153.9 7.8 -15.1 -0.9 56 56 A V E -B 45 0A 1 -11,-2.1 -11,-2.6 -2,-0.3 2,-0.5 -0.893 32.5-113.1-133.9 166.7 7.7 -13.2 -4.1 57 57 A L E -BC 44 159A 0 102,-2.3 102,-2.5 -2,-0.3 2,-0.4 -0.916 29.8-161.9-102.2 126.5 5.4 -10.7 -5.7 58 58 A A E -BC 43 158A 4 -15,-3.0 -15,-2.5 -2,-0.5 2,-0.5 -0.914 5.7-166.8-107.4 135.9 3.7 -11.9 -8.8 59 59 A V E -BC 42 157A 0 98,-2.6 98,-2.7 -2,-0.4 2,-0.6 -0.953 3.7-163.9-126.0 104.6 2.0 -9.5 -11.3 60 60 A T E -BC 41 156A 39 -19,-2.8 -19,-2.1 -2,-0.5 2,-0.6 -0.864 11.7-153.1 -91.3 114.3 -0.3 -11.2 -13.9 61 61 A V + 0 0 0 94,-2.5 93,-2.7 -2,-0.6 94,-0.5 -0.848 25.9 165.9 -95.5 116.2 -0.9 -8.7 -16.7 62 62 A N - 0 0 62 -2,-0.6 2,-0.3 -24,-0.4 -1,-0.1 0.356 69.1 -15.7-107.9 4.0 -4.1 -9.2 -18.5 63 63 A G - 0 0 10 86,-0.1 -1,-0.3 89,-0.1 2,-0.3 -0.951 62.6-130.5 167.6 170.2 -4.2 -5.9 -20.3 64 64 A V - 0 0 40 -2,-0.3 -27,-0.5 -29,-0.1 -26,-0.2 -0.776 6.7-145.4-140.1 176.9 -2.6 -2.5 -20.4 65 65 A G - 0 0 26 83,-0.4 -1,-0.1 2,-0.3 -29,-0.1 0.103 52.6 -60.6-117.2-125.5 -3.6 1.1 -20.5 66 66 A N S S+ 0 0 126 1,-0.2 3,-0.0 -2,-0.0 -2,-0.0 0.656 112.2 26.8-106.3 -20.7 -2.0 4.1 -22.1 67 67 A N S > S- 0 0 77 1,-0.1 3,-2.3 82,-0.0 -2,-0.3 -0.981 78.6-114.8-144.9 148.9 1.5 4.3 -20.5 68 68 A P G > S+ 0 0 37 0, 0.0 80,-2.3 0, 0.0 3,-1.2 0.804 112.9 63.2 -60.0 -30.0 3.8 1.7 -18.9 69 69 A F G 3 S+ 0 0 98 1,-0.2 3,-0.1 77,-0.2 76,-0.1 0.539 75.4 90.0 -72.7 -3.9 3.3 3.3 -15.5 70 70 A N G < S+ 0 0 21 -3,-2.3 -37,-2.7 1,-0.2 2,-0.4 0.623 95.1 40.8 -71.8 -8.8 -0.4 2.5 -15.5 71 71 A I E < S+F 32 0B 0 -3,-1.2 76,-2.9 -39,-0.2 77,-0.8 -0.952 88.5 148.4-126.9 114.8 0.5 -0.8 -13.8 72 72 A Q E -FG 31 146B 23 -41,-2.3 -41,-2.6 -2,-0.4 2,-0.5 -0.998 41.9-152.8-150.5 151.8 3.2 -0.2 -11.2 73 73 A A E -FG 30 145B 0 72,-1.8 72,-2.5 -2,-0.4 2,-0.5 -1.000 25.7-167.2-119.3 118.9 4.6 -1.4 -7.9 74 74 A T E -FG 29 144B 0 -45,-2.6 -45,-2.6 -2,-0.5 2,-0.3 -0.952 19.3-135.0-117.0 122.8 6.4 1.4 -6.0 75 75 A A E -FG 28 143B 0 68,-1.8 68,-2.3 -2,-0.5 -47,-0.3 -0.607 36.4-156.5 -72.5 130.0 8.6 0.9 -3.0 76 76 A L E + 0 0 61 -49,-2.1 -49,-0.1 1,-0.3 66,-0.1 -0.910 61.5 28.3-163.1 131.5 7.6 3.6 -0.5 77 77 A P E + 0 0 47 0, 0.0 2,-0.5 0, 0.0 -71,-0.5 0.618 66.4 179.2 -75.2 156.0 9.0 5.0 1.8 78 78 A V E - G 0 141B 0 63,-1.6 63,-3.0 -3,-0.2 2,-0.6 -0.981 20.4-146.6-120.8 110.4 12.6 4.8 0.7 79 79 A N E + G 0 140B 87 -75,-2.5 2,-0.2 -2,-0.5 61,-0.2 -0.727 33.4 151.1 -91.9 120.4 14.7 6.5 3.3 80 80 A V - 0 0 10 59,-2.6 -2,-0.0 -2,-0.6 6,-0.0 -0.759 38.5-119.0-137.2 178.2 17.8 8.2 1.9 81 81 A R > - 0 0 143 -2,-0.2 3,-1.9 3,-0.0 53,-0.3 -0.972 39.8 -94.6-128.0 140.6 20.2 11.1 2.5 82 82 A P T 3 S+ 0 0 49 0, 0.0 53,-0.2 0, 0.0 55,-0.1 -0.236 106.2 9.1 -53.0 136.7 20.8 14.1 0.2 83 83 A G T 3 S+ 0 0 52 51,-2.8 2,-0.2 53,-0.5 52,-0.1 0.349 94.2 131.0 77.5 -2.9 23.8 13.7 -2.1 84 84 A V < - 0 0 21 -3,-1.9 50,-2.6 50,-0.1 2,-0.4 -0.561 52.0-133.8 -85.1 144.9 24.4 10.0 -1.3 85 85 A T E -D 133 0A 44 48,-0.2 82,-2.1 -2,-0.2 2,-0.3 -0.842 24.5-165.5 -97.2 137.4 24.8 7.5 -4.1 86 86 A Y E -DE 132 166A 8 46,-3.0 46,-2.2 -2,-0.4 2,-0.5 -0.878 18.6-134.3-121.3 148.1 22.9 4.2 -3.8 87 87 A T E -DE 131 165A 30 78,-2.7 78,-2.5 -2,-0.3 2,-0.5 -0.938 20.3-157.8 -98.2 127.7 23.0 0.8 -5.5 88 88 A Y E +DE 130 164A 0 42,-3.1 42,-1.8 -2,-0.5 2,-0.3 -0.919 17.1 171.5 -99.5 128.5 19.6 -0.6 -6.5 89 89 A T E +DE 129 163A 41 74,-2.0 74,-2.8 -2,-0.5 2,-0.3 -0.998 3.3 160.8-138.0 142.4 19.3 -4.3 -7.0 90 90 A I E -D 128 0A 1 38,-1.8 38,-2.7 -2,-0.3 2,-0.4 -0.973 29.9-129.2-148.3 158.5 16.3 -6.5 -7.6 91 91 A R E +DE 127 160A 101 69,-2.8 69,-2.1 -2,-0.3 2,-0.3 -0.908 31.2 171.8-109.6 143.4 15.6 -10.0 -8.9 92 92 A A E +DE 126 159A 0 34,-2.0 34,-1.7 -2,-0.4 30,-0.3 -0.998 10.3 159.7-150.6 150.3 13.0 -10.6 -11.7 93 93 A R E - 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