==== 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 2Y6G . 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) . 7785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 65.9 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 . 64 38.3 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 . 22 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.8 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 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 0 193 0, 0.0 2,-0.5 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0 153.9 22.3 -5.6 6.0 2 2 A L + 0 0 153 164,-0.1 2,-0.3 161,-0.0 164,-0.3 -0.986 360.0 170.7-116.3 117.6 21.4 -2.0 5.8 3 3 A V - 0 0 68 -2,-0.5 162,-0.2 2,-0.2 76,-0.1 -0.943 35.1-141.1-129.2 151.0 18.9 -1.1 3.2 4 4 A A S S+ 0 0 11 160,-3.0 75,-2.5 -2,-0.3 2,-0.2 0.751 82.6 67.2 -79.2 -28.6 17.0 2.0 2.5 5 5 A N S S- 0 0 7 159,-0.3 2,-0.4 73,-0.2 3,-0.3 -0.518 78.7-122.1 -95.8 166.6 13.7 0.3 1.6 6 6 A I S S- 0 0 58 71,-0.5 70,-0.2 21,-0.4 4,-0.1 -0.875 82.8 -3.1-114.9 138.5 11.3 -1.7 3.7 7 7 A N S > S+ 0 0 21 -2,-0.4 3,-1.8 1,-0.1 -1,-0.2 0.891 72.5 170.3 49.5 45.8 10.1 -5.3 3.2 8 8 A G T 3 S+ 0 0 10 1,-0.3 154,-2.4 -3,-0.3 -1,-0.1 0.653 74.9 41.6 -64.5 -16.9 12.1 -5.4 -0.0 9 9 A G T 3 S- 0 0 5 152,-0.2 46,-0.3 151,-0.2 -1,-0.3 0.179 108.0-119.0-118.3 16.1 11.6 -9.2 -0.3 10 10 A F S X S+ 0 0 1 -3,-1.8 3,-1.5 16,-0.1 46,-0.1 0.584 70.2 135.2 64.6 14.1 7.9 -9.3 0.7 11 11 A E T 3 + 0 0 52 1,-0.3 -1,-0.1 44,-0.1 4,-0.1 0.746 65.8 56.6 -71.1 -23.6 8.7 -11.5 3.7 12 12 A S T 3 S+ 0 0 76 14,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.529 92.2 87.7 -78.3 -11.9 6.5 -9.5 6.1 13 13 A T S < S- 0 0 7 -3,-1.5 3,-0.1 13,-0.1 12,-0.1 -0.776 82.2-115.9 -97.6 134.9 3.4 -9.9 4.0 14 14 A P - 0 0 103 0, 0.0 30,-0.2 0, 0.0 -2,-0.1 -0.316 40.9-100.8 -60.9 143.8 1.0 -12.8 4.2 15 15 A A S S+ 0 0 46 -4,-0.1 2,-0.2 28,-0.1 30,-0.2 -0.376 77.6 78.4 -63.5 145.3 0.8 -14.9 1.1 16 16 A G E S-A 44 0A 27 28,-2.8 28,-2.5 -3,-0.1 2,-0.2 -0.697 84.6 -46.6 141.1 169.6 -2.1 -14.2 -1.0 17 17 A V E -A 43 0A 80 26,-0.2 2,-0.6 -2,-0.2 26,-0.3 -0.450 53.8-134.1 -70.1 136.4 -3.6 -11.9 -3.6 18 18 A V + 0 0 16 24,-3.0 24,-0.5 -2,-0.2 3,-0.1 -0.805 37.2 158.9 -93.5 117.5 -3.3 -8.3 -2.7 19 19 A T + 0 0 127 -2,-0.6 2,-1.3 1,-0.1 -1,-0.2 0.668 63.6 75.2-115.2 -13.0 -6.4 -6.2 -3.2 20 20 A D > + 0 0 89 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.744 65.8 178.3 -88.2 90.3 -5.4 -3.3 -0.8 21 21 A L T 4 + 0 0 49 -2,-1.3 9,-2.5 1,-0.2 4,-0.2 0.872 69.2 44.9 -67.3 -38.2 -3.0 -1.9 -3.2 22 22 A A T 4 S+ 0 0 50 7,-0.2 -1,-0.2 -3,-0.1 6,-0.1 0.837 134.7 9.1 -75.6 -32.8 -1.9 1.1 -1.3 23 23 A E T 4 S+ 0 0 162 6,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.417 97.8 95.1-131.6 4.2 -1.4 -0.5 2.1 24 24 A G S < S+ 0 0 32 -4,-2.5 2,-0.5 1,-0.2 -3,-0.1 0.691 87.7 50.5 -73.0 -18.5 -1.7 -4.3 1.7 25 25 A V S > S- 0 0 2 3,-0.4 3,-2.0 -5,-0.2 -1,-0.2 -0.949 89.7-126.7-126.7 110.9 2.1 -4.7 1.4 26 26 A E T 3 S+ 0 0 110 -2,-0.5 -16,-0.1 1,-0.3 -14,-0.1 -0.282 95.3 15.8 -52.5 134.5 4.3 -3.1 4.0 27 27 A G T 3 S+ 0 0 10 1,-0.2 49,-2.2 49,-0.1 -21,-0.4 0.406 115.3 83.1 82.6 -2.4 7.0 -0.9 2.3 28 28 A W E < -F 75 0B 8 -3,-2.0 2,-0.4 47,-0.3 -3,-0.4 -0.951 56.4-155.7-137.0 152.9 5.2 -0.8 -1.1 29 29 A D E -F 74 0B 48 45,-2.5 45,-2.8 -2,-0.3 2,-0.4 -0.999 18.0-160.2-124.8 120.1 2.5 1.1 -2.9 30 30 A L E -F 73 0B 6 -9,-2.5 2,-0.3 -2,-0.4 43,-0.2 -0.826 9.8-169.5-103.7 145.3 0.8 -0.8 -5.8 31 31 A N E -F 72 0B 57 41,-2.5 41,-2.2 -2,-0.4 2,-0.4 -1.000 17.9-179.2-139.4 139.0 -1.1 1.1 -8.5 32 32 A V E -F 71 0B 38 -2,-0.3 39,-0.2 39,-0.2 38,-0.1 -0.986 25.1-138.8-134.6 116.5 -3.4 0.2 -11.4 33 33 A G > - 0 0 17 37,-2.8 3,-1.9 -2,-0.4 37,-0.0 -0.338 22.3-115.6 -71.5 157.9 -4.7 3.0 -13.5 34 34 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.1 36,-0.0 0.667 109.2 72.8 -73.1 -10.0 -8.3 3.0 -14.6 35 35 A S T 3 S+ 0 0 52 1,-0.1 2,-1.0 35,-0.0 -1,-0.3 0.658 77.1 90.1 -75.7 -10.8 -7.3 2.7 -18.3 36 36 A V < + 0 0 11 -3,-1.9 29,-0.2 34,-0.2 -1,-0.1 -0.757 55.2 175.9 -84.8 104.8 -6.3 -0.9 -17.5 37 37 A T S S+ 0 0 128 -2,-1.0 -1,-0.2 27,-0.6 28,-0.1 0.686 72.7 48.9 -90.4 -19.6 -9.6 -2.7 -18.2 38 38 A N S S- 0 0 86 26,-0.2 24,-0.4 0, 0.0 -1,-0.2 -0.908 97.3-143.1-111.7 93.6 -8.4 -6.3 -17.6 39 39 A P - 0 0 74 0, 0.0 -2,-0.1 0, 0.0 25,-0.1 -0.187 6.8-117.5 -67.1 153.8 -6.8 -5.6 -14.3 40 40 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 21,-0.2 -0.240 20.1-124.0 -78.2 170.5 -3.6 -7.4 -13.2 41 41 A V E - B 0 60A 55 19,-2.0 19,-3.1 2,-0.0 2,-0.5 -0.987 16.9-162.7-118.0 123.8 -3.2 -9.7 -10.2 42 42 A F E + B 0 59A 4 -2,-0.5 -24,-3.0 -24,-0.5 2,-0.4 -0.936 20.0 173.7-100.2 123.6 -0.7 -8.8 -7.5 43 43 A E E -AB 17 58A 66 15,-2.4 15,-2.9 -2,-0.5 2,-0.6 -0.999 32.2-141.8-138.1 133.5 0.1 -11.9 -5.3 44 44 A V E -AB 16 57A 1 -28,-2.5 -28,-2.8 -2,-0.4 2,-0.4 -0.869 33.3-163.6 -90.0 120.6 2.6 -12.6 -2.6 45 45 A L E - B 0 56A 50 11,-2.5 11,-2.2 -2,-0.6 2,-0.6 -0.935 20.5-142.6-114.3 133.6 3.6 -16.2 -3.2 46 46 A E E + B 0 55A 131 -2,-0.4 2,-0.3 9,-0.2 9,-0.3 -0.848 39.8 159.3 -88.2 118.2 5.3 -18.6 -0.9 47 47 A T > - 0 0 44 7,-2.2 3,-1.5 -2,-0.6 -2,-0.0 -0.998 49.8-130.5-145.3 145.7 7.7 -20.6 -3.1 48 48 A S T 3 S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.3 7,-0.1 0.779 106.9 57.3 -68.8 -19.3 10.8 -22.7 -2.5 49 49 A D T 3 S+ 0 0 75 5,-0.1 -1,-0.3 -3,-0.0 5,-0.1 0.317 70.8 135.3 -99.1 14.9 12.6 -20.9 -5.4 50 50 A A < - 0 0 14 -3,-1.5 6,-0.1 4,-0.2 3,-0.1 -0.353 55.3-140.6 -46.4 126.4 12.2 -17.5 -3.9 51 51 A P S S+ 0 0 42 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.805 88.2 30.4 -62.9 -29.0 15.6 -15.8 -4.3 52 52 A E S > S- 0 0 73 3,-0.3 3,-0.6 -43,-0.1 109,-0.1 -0.998 125.1 -31.4-133.4 133.5 15.2 -14.2 -0.8 53 53 A G T 3 S- 0 0 45 -2,-0.4 -3,-0.1 1,-0.2 -43,-0.1 -0.260 97.8 -60.1 60.6-146.3 13.3 -15.6 2.1 54 54 A N T 3 S+ 0 0 106 -45,-0.1 -7,-2.2 -5,-0.1 2,-0.3 0.403 109.1 67.0-117.7 -2.4 10.3 -17.7 1.2 55 55 A K E < -B 46 0A 30 -3,-0.6 -3,-0.3 -46,-0.3 2,-0.3 -0.903 47.7-178.6-130.3 152.9 8.2 -15.2 -0.7 56 56 A V E -B 45 0A 2 -11,-2.2 -11,-2.5 -2,-0.3 2,-0.5 -0.903 30.9-114.4-132.6 166.2 8.1 -13.3 -3.9 57 57 A L E -BC 44 159A 0 102,-2.3 102,-2.5 -2,-0.3 2,-0.4 -0.910 28.8-161.8-104.2 126.4 5.7 -10.8 -5.5 58 58 A A E -BC 43 158A 3 -15,-2.9 -15,-2.4 -2,-0.5 2,-0.6 -0.924 4.3-165.9-104.9 131.8 4.0 -12.0 -8.7 59 59 A V E -BC 42 157A 0 98,-2.7 98,-2.6 -2,-0.4 2,-0.7 -0.941 3.9-163.6-121.8 102.9 2.4 -9.5 -11.1 60 60 A T E -BC 41 156A 38 -19,-3.1 -19,-2.0 -2,-0.6 2,-0.7 -0.820 8.1-154.4 -90.8 119.6 0.1 -11.1 -13.6 61 61 A V E + C 0 155A 0 94,-2.6 93,-2.7 -2,-0.7 94,-0.7 -0.849 24.2 166.5 -98.4 111.8 -0.6 -8.7 -16.5 62 62 A N S S- 0 0 60 -2,-0.7 2,-0.3 -24,-0.4 -1,-0.1 0.450 71.0 -16.2-100.3 -2.6 -3.9 -9.4 -18.2 63 63 A G - 0 0 12 -25,-0.1 -1,-0.3 86,-0.1 2,-0.2 -0.944 64.6-128.0 173.0 168.3 -4.0 -6.1 -20.1 64 64 A V - 0 0 42 -2,-0.3 -27,-0.6 1,-0.2 -26,-0.2 -0.740 7.6-145.1-134.2 178.6 -2.4 -2.7 -20.1 65 65 A G - 0 0 23 83,-0.3 -1,-0.2 2,-0.3 -28,-0.0 0.268 52.5 -64.0-116.1-122.9 -3.5 0.9 -20.2 66 66 A N S S+ 0 0 125 1,-0.3 3,-0.0 -2,-0.0 -2,-0.0 0.540 111.5 28.6-114.2 -18.6 -1.9 3.9 -21.9 67 67 A N S > S- 0 0 79 1,-0.1 3,-2.3 82,-0.0 -2,-0.3 -0.985 78.6-115.3-145.1 149.1 1.5 4.2 -20.2 68 68 A P G > S+ 0 0 36 0, 0.0 80,-2.3 0, 0.0 3,-1.3 0.804 111.7 63.5 -59.9 -27.7 3.8 1.7 -18.5 69 69 A F G 3 S+ 0 0 95 1,-0.3 3,-0.1 77,-0.2 76,-0.1 0.470 76.8 89.6 -77.2 -0.6 3.4 3.4 -15.1 70 70 A N G < S+ 0 0 21 -3,-2.3 -37,-2.8 1,-0.2 2,-0.4 0.587 94.3 40.9 -72.0 -10.1 -0.3 2.5 -15.2 71 71 A I E < S+F 32 0B 0 -3,-1.3 76,-3.0 -39,-0.2 77,-0.9 -0.919 88.2 154.9-128.9 112.5 0.7 -0.8 -13.6 72 72 A Q E -FG 31 146B 31 -41,-2.2 -41,-2.5 -2,-0.4 2,-0.4 -0.973 39.7-159.4-140.0 148.1 3.4 -0.2 -10.9 73 73 A A E -FG 30 145B 0 72,-1.7 72,-2.4 -2,-0.3 2,-0.5 -0.994 26.9-171.2-119.1 121.4 4.8 -1.5 -7.7 74 74 A T E -FG 29 144B 6 -45,-2.8 -45,-2.5 -2,-0.4 2,-0.4 -0.956 19.9-136.0-119.3 121.6 6.6 1.3 -5.9 75 75 A A E -FG 28 143B 0 68,-1.9 68,-2.1 -2,-0.5 -47,-0.3 -0.630 36.2-156.0 -70.6 130.2 8.9 0.9 -2.8 76 76 A L E + 0 0 41 -49,-2.2 -49,-0.1 -2,-0.4 66,-0.1 -0.917 59.9 27.2-167.4 143.3 8.0 3.5 -0.3 77 77 A P E - 0 0 47 0, 0.0 2,-0.5 0, 0.0 -71,-0.5 0.615 67.3-179.6 -73.1 157.7 9.2 5.0 1.9 78 78 A V E - G 0 141B 0 63,-1.8 63,-3.1 -3,-0.2 2,-0.5 -0.986 19.5-145.5-122.2 113.8 12.8 4.7 0.9 79 79 A N E + G 0 140B 88 -75,-2.5 2,-0.2 -2,-0.5 61,-0.2 -0.750 33.7 150.6 -92.5 120.5 15.0 6.4 3.5 80 80 A V - 0 0 9 59,-2.6 -2,-0.0 -2,-0.5 6,-0.0 -0.771 39.3-117.8-139.0 176.6 18.1 8.2 2.0 81 81 A R > - 0 0 140 -2,-0.2 3,-1.9 59,-0.0 53,-0.3 -0.974 39.3 -97.9-125.2 136.2 20.5 11.1 2.6 82 82 A P T 3 S+ 0 0 46 0, 0.0 53,-0.2 0, 0.0 55,-0.1 -0.257 105.8 12.2 -53.1 136.7 21.0 14.0 0.3 83 83 A G T 3 S+ 0 0 52 51,-3.0 2,-0.2 53,-0.4 52,-0.1 0.309 94.8 129.9 80.9 -4.1 24.0 13.7 -2.0 84 84 A V < - 0 0 21 -3,-1.9 50,-2.7 50,-0.1 2,-0.4 -0.538 52.5-134.8 -86.9 144.1 24.6 10.0 -1.3 85 85 A T E -D 133 0A 38 48,-0.2 82,-2.0 -2,-0.2 2,-0.3 -0.849 25.0-167.6 -97.5 133.2 25.1 7.5 -4.0 86 86 A Y E -DE 132 166A 7 46,-2.9 46,-2.1 -2,-0.4 2,-0.5 -0.896 19.7-133.7-121.8 149.7 23.2 4.2 -3.7 87 87 A T E -DE 131 165A 34 78,-2.8 78,-2.6 -2,-0.3 2,-0.5 -0.930 19.5-157.7 -99.8 128.9 23.2 0.8 -5.4 88 88 A Y E +DE 130 164A 0 42,-3.2 42,-1.9 -2,-0.5 2,-0.4 -0.943 16.4 173.5-100.4 129.5 19.8 -0.6 -6.4 89 89 A T E +DE 129 163A 41 74,-1.9 74,-2.7 -2,-0.5 2,-0.3 -0.993 3.3 162.2-135.1 141.4 19.6 -4.4 -6.8 90 90 A I E -D 128 0A 1 38,-1.8 38,-2.8 -2,-0.4 2,-0.4 -0.970 29.2-130.4-147.3 159.6 16.5 -6.5 -7.5 91 91 A R E +DE 127 160A 107 69,-2.8 69,-2.1 -2,-0.3 2,-0.3 -0.915 31.3 170.0-110.0 141.2 15.8 -10.0 -8.8 92 92 A A E +DE 126 159A 0 34,-2.1 34,-1.6 -2,-0.4 30,-0.3 -0.998 10.5 160.2-151.3 150.5 13.2 -10.7 -11.5 93 93 A R E - 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