==== 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 24-JAN-11 2Y6K . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR L.VON SCHANTZ,M.HAKANSSON,D.T.LOGAN,B.WALSE,J.OSTERLIN, . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 64.8 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 38.2 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 . 19 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 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 0 2 2 2 1 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 2 A L 0 0 206 0, 0.0 2,-0.3 0, 0.0 164,-0.2 0.000 360.0 360.0 360.0 125.7 21.1 -2.5 5.8 2 3 A V - 0 0 79 2,-0.2 162,-0.2 162,-0.1 76,-0.1 -0.950 360.0-135.1-137.4 157.4 18.7 -1.2 3.2 3 4 A A S S+ 0 0 12 160,-2.8 75,-2.6 -2,-0.3 2,-0.1 0.723 86.2 65.4 -78.2 -29.5 16.8 2.0 2.5 4 5 A N S S- 0 0 7 159,-0.3 2,-0.4 73,-0.2 -2,-0.2 -0.357 77.8-122.7 -95.9 178.3 13.6 0.4 1.7 5 6 A I S S+ 0 0 59 21,-0.4 70,-0.2 71,-0.3 4,-0.1 -0.954 82.5 0.8-127.9 136.0 11.1 -1.7 3.7 6 7 A N S > S+ 0 0 21 -2,-0.4 3,-1.7 1,-0.1 -1,-0.2 0.905 71.4 168.7 54.7 45.3 9.8 -5.2 3.1 7 8 A G T 3 S+ 0 0 12 1,-0.3 154,-2.6 -3,-0.2 -1,-0.1 0.681 75.0 40.8 -65.1 -18.3 12.0 -5.5 0.0 8 9 A G T 3 S- 0 0 5 152,-0.3 46,-0.3 151,-0.2 -1,-0.3 0.245 108.2-117.9-116.7 13.2 11.3 -9.2 -0.2 9 10 A F S X S+ 0 0 0 -3,-1.7 3,-1.5 16,-0.2 46,-0.1 0.517 72.1 134.0 65.9 12.1 7.6 -9.3 0.7 10 11 A E T 3 + 0 0 55 1,-0.3 -1,-0.1 44,-0.1 -3,-0.0 0.701 65.1 58.4 -69.3 -19.6 8.3 -11.4 3.7 11 12 A S T 3 S+ 0 0 66 14,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.603 92.7 85.7 -74.9 -20.1 6.1 -9.2 5.9 12 13 A T S < S- 0 0 7 -3,-1.5 3,-0.1 13,-0.1 12,-0.1 -0.741 80.9-117.6-100.2 131.3 3.0 -9.7 3.8 13 14 A P - 0 0 103 0, 0.0 30,-0.3 0, 0.0 -2,-0.1 -0.322 40.8-100.8 -59.7 143.1 0.6 -12.6 4.1 14 15 A A S S+ 0 0 53 28,-0.1 2,-0.2 3,-0.0 30,-0.2 -0.358 77.9 75.9 -59.5 144.2 0.4 -14.8 1.0 15 16 A G E S-A 43 0A 33 28,-2.7 28,-2.5 -3,-0.1 2,-0.1 -0.689 86.0 -43.9 139.4 169.0 -2.6 -14.1 -1.2 16 17 A V E -A 42 0A 88 26,-0.3 2,-0.7 -2,-0.2 26,-0.3 -0.450 55.9-126.2 -64.4 138.5 -4.0 -11.7 -3.8 17 18 A V + 0 0 15 24,-3.0 24,-0.4 1,-0.2 3,-0.1 -0.802 39.1 161.8 -90.9 118.8 -3.5 -8.1 -2.9 18 19 A T + 0 0 131 -2,-0.7 2,-1.2 1,-0.2 -1,-0.2 0.752 66.9 66.2-107.0 -29.9 -6.7 -6.3 -3.0 19 20 A D > + 0 0 76 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.768 67.3 176.9 -90.5 90.2 -5.7 -3.2 -0.9 20 21 A L T 4 S+ 0 0 46 -2,-1.2 9,-2.5 1,-0.2 4,-0.3 0.896 70.9 44.6 -70.4 -39.8 -3.2 -1.9 -3.4 21 22 A A T 4 S+ 0 0 52 7,-0.2 -1,-0.2 1,-0.2 6,-0.1 0.861 135.2 10.0 -71.6 -34.1 -2.1 1.3 -1.7 22 23 A E T 4 S+ 0 0 155 6,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.438 99.8 92.3-129.0 1.1 -1.7 -0.2 1.8 23 24 A G S < S+ 0 0 34 -4,-2.6 2,-0.5 1,-0.2 -3,-0.1 0.653 85.9 53.9 -73.0 -16.7 -1.9 -4.0 1.6 24 25 A V S > S- 0 0 2 3,-0.4 3,-2.0 -4,-0.3 -1,-0.2 -0.951 89.5-127.4-121.8 109.3 1.8 -4.5 1.2 25 26 A E T 3 S+ 0 0 120 -2,-0.5 -16,-0.2 1,-0.3 -14,-0.1 -0.243 94.7 15.8 -53.1 134.7 4.0 -2.9 3.9 26 27 A G T 3 S+ 0 0 10 1,-0.2 49,-2.1 49,-0.1 -21,-0.4 0.488 116.2 83.6 81.7 2.8 6.7 -0.8 2.3 27 28 A W E < -F 74 0B 7 -3,-2.0 2,-0.4 47,-0.3 -3,-0.4 -0.960 57.1-155.9-140.1 148.8 5.0 -0.7 -1.1 28 29 A D E -F 73 0B 42 45,-2.5 45,-2.6 -2,-0.3 2,-0.3 -0.981 17.7-164.8-124.5 114.4 2.3 1.2 -3.0 29 30 A L E -F 72 0B 2 -9,-2.5 2,-0.4 -2,-0.4 43,-0.2 -0.802 11.3-176.1 -97.3 146.7 0.8 -0.7 -5.8 30 31 A N E -F 71 0B 76 41,-2.5 41,-2.3 -2,-0.3 2,-0.4 -0.995 19.9-171.6-150.4 135.8 -1.3 1.2 -8.4 31 32 A V E -F 70 0B 40 -2,-0.4 39,-0.2 39,-0.2 38,-0.1 -0.993 24.9-137.6-122.6 120.6 -3.4 0.5 -11.4 32 33 A G > - 0 0 17 37,-2.7 3,-1.7 -2,-0.4 37,-0.0 -0.402 22.5-112.3 -75.9 159.9 -4.6 3.4 -13.5 33 34 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.1 36,-0.0 0.653 110.1 71.5 -66.8 -18.0 -8.1 3.6 -14.9 34 35 A S T 3 S+ 0 0 46 1,-0.1 2,-1.3 32,-0.0 -1,-0.3 0.660 75.3 90.5 -72.6 -15.3 -6.8 3.3 -18.5 35 36 A V < - 0 0 10 -3,-1.7 29,-0.2 34,-0.2 -1,-0.1 -0.693 58.4-177.2 -82.5 97.2 -6.1 -0.4 -17.8 36 37 A T S S+ 0 0 111 -2,-1.3 -1,-0.2 27,-0.6 28,-0.1 0.774 75.9 44.6 -70.9 -29.5 -9.4 -1.9 -18.8 37 38 A N S S- 0 0 88 26,-0.2 24,-0.5 -3,-0.1 -1,-0.2 -0.938 94.9-141.0-113.9 95.9 -8.4 -5.5 -17.8 38 39 A P - 0 0 81 0, 0.0 -2,-0.1 0, 0.0 25,-0.1 -0.193 10.4-119.4 -69.0 153.6 -6.8 -5.1 -14.4 39 40 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 21,-0.2 -0.274 20.2-120.1 -77.9 169.6 -3.7 -7.1 -13.4 40 41 A V E - B 0 59A 52 19,-2.0 19,-3.1 -2,-0.1 2,-0.5 -0.987 20.1-161.6-114.1 121.4 -3.6 -9.5 -10.4 41 42 A F E + B 0 58A 3 -2,-0.5 -24,-3.0 -24,-0.4 2,-0.4 -0.921 19.2 173.7 -97.0 127.1 -1.0 -8.7 -7.7 42 43 A E E -AB 16 57A 63 15,-2.6 15,-3.0 -2,-0.5 2,-0.6 -0.999 31.8-143.6-137.6 132.4 -0.3 -11.7 -5.5 43 44 A V E -AB 15 56A 1 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.4 -0.864 32.5-162.6 -90.2 122.6 2.2 -12.4 -2.8 44 45 A L E - B 0 55A 47 11,-2.5 11,-2.2 -2,-0.6 2,-0.6 -0.934 19.1-143.6-112.9 133.2 3.2 -16.1 -3.3 45 46 A E E + B 0 54A 119 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.811 42.9 151.7 -90.5 122.6 4.8 -18.4 -0.9 46 47 A T > - 0 0 44 7,-2.4 3,-1.5 -2,-0.6 -2,-0.0 -0.995 58.4-131.2-155.3 146.8 7.1 -20.6 -3.0 47 48 A S T 3 S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.3 7,-0.1 0.661 105.1 73.9 -77.0 -7.2 10.3 -22.5 -2.7 48 49 A D T 3 + 0 0 56 5,-0.1 -1,-0.3 -3,-0.0 6,-0.1 0.554 69.1 123.5 -69.8 -12.5 11.3 -20.6 -5.9 49 50 A A < - 0 0 16 -3,-1.5 3,-0.1 4,-0.2 6,-0.1 -0.286 54.3-154.8 -65.2 127.2 11.8 -17.5 -3.9 50 51 A P S S+ 0 0 44 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.799 86.4 33.6 -68.6 -23.6 15.3 -16.0 -4.2 51 52 A E S > S- 0 0 73 3,-0.3 3,-0.7 -43,-0.1 109,-0.1 -0.999 124.6 -35.5-132.4 129.1 14.9 -14.3 -0.8 52 53 A G T 3 S- 0 0 49 -2,-0.4 -43,-0.1 1,-0.2 -3,-0.0 -0.254 97.9 -56.9 61.5-143.0 13.0 -15.7 2.1 53 54 A N T 3 S+ 0 0 98 -45,-0.1 -7,-2.4 -5,-0.1 2,-0.3 0.386 109.4 67.1-116.7 -6.4 9.8 -17.7 1.3 54 55 A K E < -B 45 0A 26 -3,-0.7 -3,-0.3 -46,-0.3 2,-0.3 -0.925 46.3-179.6-132.5 150.7 7.8 -15.1 -0.7 55 56 A V E -B 44 0A 1 -11,-2.2 -11,-2.5 -2,-0.3 2,-0.5 -0.907 30.4-115.3-133.5 165.4 7.7 -13.2 -4.0 56 57 A L E -BC 43 158A 0 102,-2.4 102,-2.6 -2,-0.3 2,-0.4 -0.914 28.2-162.8-102.2 129.4 5.4 -10.7 -5.6 57 58 A A E -BC 42 157A 3 -15,-3.0 -15,-2.6 -2,-0.5 2,-0.5 -0.939 4.9-166.3-110.8 133.0 3.7 -11.9 -8.8 58 59 A V E -BC 41 156A 0 98,-2.6 98,-2.6 -2,-0.4 2,-0.6 -0.964 4.6-162.8-122.4 106.0 2.1 -9.4 -11.2 59 60 A T E -BC 40 155A 41 -19,-3.1 -19,-2.0 -2,-0.5 2,-0.6 -0.855 10.9-151.9 -93.5 118.7 -0.2 -11.0 -13.8 60 61 A V E + C 0 154A 0 94,-2.6 93,-2.7 -2,-0.6 94,-0.6 -0.835 26.7 164.7 -99.6 122.2 -0.8 -8.6 -16.6 61 62 A N - 0 0 70 -2,-0.6 2,-0.3 -24,-0.5 -1,-0.1 0.356 70.0 -15.1-111.2 -3.5 -4.1 -9.0 -18.5 62 63 A G - 0 0 6 86,-0.1 -1,-0.4 -26,-0.0 2,-0.2 -0.915 64.6-127.9 169.2 163.7 -4.1 -5.7 -20.4 63 64 A V - 0 0 38 -2,-0.3 -27,-0.6 1,-0.2 -26,-0.2 -0.756 7.6-143.2-131.1 174.9 -2.3 -2.3 -20.4 64 65 A G - 0 0 22 2,-0.3 -1,-0.2 83,-0.3 -29,-0.1 0.222 49.2 -69.6-109.2-128.7 -3.2 1.4 -20.3 65 66 A N S S+ 0 0 129 1,-0.2 3,-0.0 -2,-0.0 -2,-0.0 0.527 111.4 33.2-111.5 -18.7 -1.5 4.4 -22.0 66 67 A N S > S- 0 0 82 1,-0.1 3,-2.3 82,-0.0 -2,-0.3 -0.984 81.5-116.3-140.7 147.8 1.8 4.6 -20.1 67 68 A P G > S+ 0 0 39 0, 0.0 80,-2.4 0, 0.0 3,-1.3 0.795 111.6 61.1 -60.1 -27.7 4.0 1.9 -18.6 68 69 A F G 3 S+ 0 0 92 1,-0.3 3,-0.1 77,-0.2 -38,-0.1 0.520 74.4 92.9 -78.4 -2.3 3.5 3.2 -15.1 69 70 A N G < S+ 0 0 21 -3,-2.3 -37,-2.7 1,-0.2 2,-0.4 0.660 94.8 41.0 -68.3 -11.3 -0.3 2.6 -15.3 70 71 A I E < S+F 31 0B 0 -3,-1.3 76,-2.9 -39,-0.2 77,-0.9 -0.956 91.7 148.9-122.6 114.9 0.6 -0.8 -13.7 71 72 A Q E -FG 30 145B 24 -41,-2.3 -41,-2.5 -2,-0.4 2,-0.4 -0.990 41.7-157.4-148.4 154.4 3.3 -0.2 -11.0 72 73 A A E -FG 29 144B 0 72,-1.9 72,-2.5 -2,-0.3 2,-0.5 -0.994 25.3-170.7-125.8 118.0 4.7 -1.4 -7.8 73 74 A T E -FG 28 143B 1 -45,-2.6 -45,-2.5 -2,-0.4 2,-0.4 -0.941 21.2-133.1-122.0 128.2 6.6 1.3 -5.9 74 75 A A E -FG 27 142B 0 68,-1.8 68,-2.3 -2,-0.5 -47,-0.3 -0.648 35.2-154.1 -74.2 127.6 8.7 0.9 -2.9 75 76 A L E + 0 0 53 -49,-2.1 66,-0.1 -2,-0.4 -49,-0.1 -0.929 62.7 27.4-159.4 132.8 7.8 3.7 -0.4 76 77 A P E + 0 0 47 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.610 65.3 179.2 -74.3 155.3 9.2 5.0 1.9 77 78 A V E - G 0 140B 0 63,-1.7 63,-3.0 -3,-0.2 2,-0.6 -0.988 21.0-146.0-118.0 111.7 12.8 4.7 0.8 78 79 A N E + G 0 139B 85 -75,-2.6 2,-0.2 -2,-0.5 61,-0.2 -0.765 33.6 151.6 -90.6 118.0 15.0 6.5 3.4 79 80 A V - 0 0 5 59,-2.6 -2,-0.0 -2,-0.6 6,-0.0 -0.718 38.2-119.6-134.8 179.1 18.0 8.2 2.0 80 81 A R > - 0 0 140 -2,-0.2 3,-1.8 3,-0.0 53,-0.3 -0.981 39.3 -94.9-127.7 138.8 20.5 11.1 2.5 81 82 A P T 3 S+ 0 0 51 0, 0.0 53,-0.2 0, 0.0 55,-0.1 -0.265 105.7 9.6 -53.3 134.2 21.2 14.0 0.2 82 83 A G T 3 S+ 0 0 53 51,-2.8 2,-0.2 53,-0.4 52,-0.1 0.257 94.2 130.7 85.8 -9.4 24.1 13.5 -2.1 83 84 A V < - 0 0 25 -3,-1.8 50,-2.4 50,-0.1 2,-0.4 -0.507 52.4-134.1 -81.9 146.6 24.7 9.9 -1.4 84 85 A T E -D 132 0A 64 48,-0.2 2,-0.3 -2,-0.2 48,-0.2 -0.856 24.9-167.6 -98.0 137.8 25.1 7.2 -4.1 85 86 A Y E -D 131 0A 3 46,-2.9 46,-2.2 -2,-0.4 2,-0.5 -0.880 18.4-133.8-124.7 148.9 23.1 4.0 -3.7 86 87 A T E -DE 130 164A 45 78,-2.8 78,-2.8 -2,-0.3 2,-0.5 -0.939 19.1-157.0-102.8 131.3 23.1 0.6 -5.4 87 88 A Y E +DE 129 163A 0 42,-3.3 42,-2.0 -2,-0.5 2,-0.3 -0.939 16.7 172.0-102.7 131.5 19.7 -0.8 -6.4 88 89 A T E +DE 128 162A 39 74,-1.9 74,-2.7 -2,-0.5 2,-0.3 -0.996 3.5 160.4-138.6 140.2 19.4 -4.5 -6.8 89 90 A I E -D 127 0A 1 38,-1.8 38,-2.7 -2,-0.3 2,-0.4 -0.964 29.9-129.8-147.3 158.6 16.3 -6.6 -7.4 90 91 A R E +DE 126 159A 98 69,-2.9 69,-2.0 -2,-0.3 2,-0.3 -0.906 30.9 171.5-109.3 142.8 15.6 -10.1 -8.8 91 92 A A E +DE 125 158A 0 34,-2.2 34,-1.7 -2,-0.4 30,-0.3 -0.998 11.1 159.7-148.8 150.9 13.0 -10.7 -11.5 92 93 A R E - 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