==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-FEB-03 1OD3 . COMPND 2 MOLECULE: PUTATIVE XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM STERCORARIUM; . AUTHOR A.B.BORASTON,V.NOTENBOOM,R.A.J.WARREN,D.G.KILBURN,D.R.ROSE, . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 41.2 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 0.8 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 . 13 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.1 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+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 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 1 2 2 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 . 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 19 A V 0 0 207 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.6 4.5 10.7 -10.1 2 20 A G + 0 0 79 1,-0.1 3,-0.1 2,-0.0 2,-0.0 0.832 360.0 162.1 71.0 35.3 6.0 11.5 -6.7 3 21 A G - 0 0 60 1,-0.2 -1,-0.1 0, 0.0 2,-0.1 -0.181 55.0 -57.0 -68.7 172.3 9.1 13.2 -8.0 4 22 A T - 0 0 92 1,-0.1 2,-0.3 46,-0.1 -1,-0.2 -0.335 61.6-121.8 -52.5 127.2 11.2 15.5 -5.8 5 23 A R E -a 50 0A 69 44,-0.8 46,-3.1 43,-0.3 2,-0.3 -0.554 21.3-122.6 -79.8 137.5 9.0 18.4 -4.4 6 24 A S E > -a 51 0A 49 -2,-0.3 3,-0.9 44,-0.2 46,-0.2 -0.555 2.8-144.2 -76.0 140.9 10.1 22.0 -5.2 7 25 A A T 3 S+ 0 0 0 44,-2.7 121,-2.9 -2,-0.3 4,-0.1 0.709 99.0 61.6 -67.7 -20.9 10.7 24.4 -2.2 8 26 A F T 3 S+ 0 0 80 43,-0.4 2,-0.3 119,-0.2 -1,-0.2 0.412 95.3 63.4 -96.8 -1.9 9.2 27.1 -4.4 9 27 A S S < S- 0 0 76 -3,-0.9 119,-0.2 1,-0.1 117,-0.1 -0.894 106.2 -74.8-115.9 153.0 5.7 25.7 -4.8 10 28 A N - 0 0 81 -2,-0.3 2,-0.6 117,-0.1 117,-0.2 -0.147 40.0-152.5 -54.3 136.5 3.4 25.2 -1.9 11 29 A I E -F 126 0B 5 115,-3.1 115,-2.0 -4,-0.1 2,-0.3 -0.940 20.5-128.2-106.1 115.7 4.2 22.2 0.3 12 30 A Q E > -F 125 0B 53 -2,-0.6 3,-1.9 113,-0.2 113,-0.3 -0.540 9.0-140.1 -69.4 131.3 1.0 20.9 2.0 13 31 A A T 3 S+ 0 0 0 111,-2.3 3,-0.3 -2,-0.3 112,-0.2 0.799 102.0 58.1 -66.4 -28.0 1.6 20.6 5.7 14 32 A E T 3 S+ 0 0 37 110,-0.5 2,-0.5 20,-0.2 -1,-0.3 0.559 87.1 81.0 -74.9 -9.1 -0.3 17.3 5.8 15 33 A D < + 0 0 79 -3,-1.9 -1,-0.2 2,-0.0 2,-0.2 -0.245 65.2 143.5 -93.0 42.5 2.1 15.8 3.3 16 34 A Y - 0 0 63 -2,-0.5 31,-0.2 -3,-0.3 3,-0.1 -0.502 46.3-150.0 -80.5 155.8 4.8 15.0 5.9 17 35 A D S S- 0 0 90 29,-3.0 2,-0.3 1,-0.3 30,-0.2 0.698 78.8 -0.1 -95.3 -29.5 7.0 11.9 5.7 18 36 A S E +B 46 0A 61 28,-1.2 28,-2.8 2,-0.0 -1,-0.3 -0.953 69.2 178.8-153.6 167.7 7.5 11.4 9.5 19 37 A S E -B 45 0A 58 -2,-0.3 2,-0.4 26,-0.2 26,-0.2 -0.991 29.4-135.3-163.7 159.5 6.4 13.2 12.6 20 38 A Y E +B 44 0A 135 24,-2.3 24,-2.4 -2,-0.3 -2,-0.0 -0.983 60.3 108.5-119.2 117.4 6.4 13.4 16.4 21 39 A G > - 0 0 18 -2,-0.4 3,-1.1 22,-0.2 22,-0.0 -0.200 41.5-167.3 173.3 89.7 2.9 14.2 17.7 22 40 A P T 3 S+ 0 0 93 0, 0.0 17,-0.1 0, 0.0 -1,-0.0 0.789 97.6 31.2 -60.3 -28.9 0.7 11.7 19.5 23 41 A N T 3 S+ 0 0 103 15,-0.2 2,-0.1 2,-0.1 14,-0.1 0.385 87.9 127.0-107.8 1.2 -2.4 13.9 19.2 24 42 A L < - 0 0 23 -3,-1.1 2,-0.3 12,-0.1 14,-0.2 -0.384 39.5-169.9 -64.0 133.0 -1.6 15.6 15.9 25 43 A Q E -G 37 0B 92 12,-2.1 12,-2.3 -2,-0.1 2,-0.4 -0.940 23.9-139.8-125.4 150.9 -4.4 15.3 13.3 26 44 A I E +G 36 0B 81 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.900 34.9 171.5 -98.0 135.8 -5.0 16.0 9.7 27 45 A F E -G 35 0B 45 8,-2.3 8,-2.4 -2,-0.4 2,-0.2 -0.972 33.4 -98.3-147.5 158.1 -8.4 17.4 9.0 28 46 A S E -G 34 0B 101 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.504 29.6-140.3 -78.0 143.3 -10.4 18.9 6.1 29 47 A L > - 0 0 22 4,-2.7 3,-1.4 -2,-0.2 4,-0.0 -0.769 16.5-126.4 -97.1 147.5 -10.8 22.7 5.7 30 48 A P T 3 S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.872 108.8 50.4 -59.3 -37.1 -14.1 24.3 4.6 31 49 A G T 3 S- 0 0 85 1,-0.3 2,-0.1 -3,-0.0 -3,-0.0 0.394 128.0 -73.7 -86.9 1.5 -12.5 26.2 1.8 32 50 A G S < S+ 0 0 44 -3,-1.4 -1,-0.3 1,-0.3 2,-0.0 -0.151 91.0 36.7 118.2 150.6 -10.8 23.1 0.3 33 51 A G S S- 0 0 51 -3,-0.1 -4,-2.7 -2,-0.1 -1,-0.3 -0.280 76.9 -83.7 72.3-165.5 -7.8 21.0 1.2 34 52 A S E -G 28 0B 26 -6,-0.3 2,-0.3 90,-0.2 -20,-0.2 -0.890 27.7-156.6-138.2 164.8 -6.5 20.0 4.6 35 53 A A E -G 27 0B 0 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.4 -0.922 20.0-119.6-136.0 163.3 -4.4 21.2 7.6 36 54 A I E +GH 26 123B 0 87,-2.2 87,-2.1 -2,-0.3 2,-0.2 -0.844 47.6 137.8 -97.8 146.7 -2.5 19.7 10.5 37 55 A G E +G 25 0B 0 -12,-2.3 -12,-2.1 -2,-0.4 85,-0.1 -0.855 29.3 90.6-166.2-162.6 -3.5 20.7 14.0 38 56 A Y + 0 0 130 -2,-0.2 2,-0.2 -14,-0.2 -15,-0.2 0.860 70.0 166.6 55.1 40.6 -4.1 19.5 17.5 39 57 A I - 0 0 2 82,-0.4 2,-0.3 -3,-0.1 -1,-0.2 -0.529 20.6-171.0 -88.4 147.7 -0.4 20.4 17.9 40 58 A E > - 0 0 85 -2,-0.2 3,-2.2 79,-0.2 79,-0.3 -0.891 40.8 -66.9-131.0 165.1 1.4 20.8 21.2 41 59 A N T 3 S+ 0 0 123 77,-0.3 77,-0.2 -2,-0.3 3,-0.1 -0.235 120.9 22.2 -53.0 130.7 4.9 22.1 22.3 42 60 A G T 3 S+ 0 0 36 75,-2.6 -1,-0.3 1,-0.3 76,-0.1 0.314 88.8 131.0 91.3 -7.1 7.6 19.8 21.0 43 61 A Y < - 0 0 12 -3,-2.2 74,-2.7 74,-0.3 -1,-0.3 -0.352 33.1-177.8 -68.5 157.8 5.6 18.3 18.1 44 62 A S E -BC 20 116A 4 -24,-2.4 -24,-2.3 72,-0.2 2,-0.4 -0.994 21.6-153.1-153.5 157.7 7.2 18.2 14.7 45 63 A T E -BC 19 115A 0 70,-1.9 70,-2.8 -2,-0.3 2,-0.4 -0.994 15.1-149.4-131.4 142.0 6.7 17.2 11.1 46 64 A T E -BC 18 114A 12 -28,-2.8 -29,-3.0 -2,-0.4 -28,-1.2 -0.935 5.9-165.1-117.7 134.7 9.4 16.2 8.6 47 65 A Y E - C 0 113A 0 66,-3.0 66,-2.5 -2,-0.4 3,-0.4 -0.967 19.3-148.6-122.4 107.5 9.3 16.8 4.9 48 66 A K E + 0 0 94 -2,-0.5 -43,-0.3 64,-0.2 64,-0.2 -0.487 63.9 8.2 -81.5 148.4 11.9 14.8 3.0 49 67 A N E + 0 0 84 1,-0.2 -44,-0.8 -2,-0.2 2,-0.5 0.899 68.8 174.1 58.9 52.4 13.7 15.6 -0.2 50 68 A I E -aC 5 111A 0 61,-2.8 61,-2.6 -3,-0.4 2,-0.9 -0.799 27.5-135.0 -91.1 126.5 12.6 19.2 -0.7 51 69 A D E +aC 6 110A 61 -46,-3.1 -44,-2.7 -2,-0.5 -43,-0.4 -0.728 29.5 171.4 -93.0 105.2 14.5 20.7 -3.7 52 70 A F > - 0 0 0 57,-3.1 3,-2.5 -2,-0.9 -1,-0.2 0.432 26.5-159.2 -86.2 -2.5 15.8 24.2 -2.9 53 71 A G T 3 S- 0 0 37 1,-0.3 56,-3.0 56,-0.2 -1,-0.3 -0.324 70.0 -15.3 60.7-130.8 17.8 24.4 -6.1 54 72 A D T 3 S- 0 0 131 1,-0.2 -1,-0.3 54,-0.2 54,-0.1 0.282 125.7 -52.9 -96.2 11.4 20.4 27.0 -5.8 55 73 A G < - 0 0 0 -3,-2.5 2,-0.3 54,-0.1 -1,-0.2 -0.111 35.5-150.9 135.9 145.5 18.9 28.6 -2.7 56 74 A A E -I 107 0B 0 51,-1.8 51,-2.0 49,-0.2 74,-0.3 -0.984 5.0-177.4-133.3 149.3 16.0 30.2 -0.7 57 75 A T E + 0 0 38 72,-1.8 47,-2.0 -2,-0.3 2,-0.3 0.252 65.5 54.3-131.4 13.8 16.2 32.7 2.1 58 76 A S E -IJ 103 129B 18 71,-1.8 71,-2.2 45,-0.3 2,-0.3 -0.992 55.8-162.7-148.2 150.6 12.5 33.2 3.1 59 77 A V E -IJ 102 128B 0 43,-2.4 43,-2.2 -2,-0.3 2,-0.4 -0.981 1.6-165.9-129.6 145.6 9.6 31.0 4.1 60 78 A T E -IJ 101 127B 26 67,-2.6 67,-2.3 -2,-0.3 2,-0.4 -0.997 7.8-169.8-127.5 134.9 5.8 31.7 4.2 61 79 A A E -IJ 100 126B 2 39,-2.7 39,-2.4 -2,-0.4 2,-0.7 -0.979 21.0-138.1-126.3 141.6 3.3 29.6 6.0 62 80 A R E +IJ 99 125B 73 63,-2.7 62,-2.9 -2,-0.4 63,-0.7 -0.887 46.6 159.1 -98.0 111.9 -0.5 29.7 5.9 63 81 A V E -IJ 98 123B 0 35,-2.6 35,-2.5 -2,-0.7 2,-0.3 -0.866 34.3-154.2-139.5 161.0 -1.5 29.2 9.5 64 82 A A E + J 0 122B 0 58,-2.0 58,-2.7 -2,-0.3 2,-0.3 -0.999 27.0 142.8-140.5 138.6 -4.3 29.7 12.1 65 83 A T - 0 0 1 28,-0.4 26,-2.5 31,-0.4 28,-0.5 -0.985 42.6-140.4-164.8 164.3 -4.0 30.2 15.9 66 84 A Q S S+ 0 0 86 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 0.497 88.1 38.8-104.6 -8.0 -5.5 32.0 18.9 67 85 A N S S- 0 0 117 53,-0.3 -1,-0.2 22,-0.1 24,-0.1 -0.997 96.1 -87.6-147.0 141.3 -2.3 32.8 20.8 68 86 A A + 0 0 86 -2,-0.3 2,-0.3 -3,-0.1 21,-0.2 -0.159 57.9 151.9 -53.8 136.7 1.2 33.8 19.8 69 87 A T E -D 88 0A 17 19,-2.4 19,-2.9 50,-0.1 2,-0.3 -0.865 33.0-122.3-152.4 178.1 3.5 30.9 19.0 70 88 A T E -D 87 0A 32 -2,-0.3 48,-2.0 17,-0.2 2,-0.5 -0.963 4.0-155.5-132.6 152.5 6.5 30.0 16.9 71 89 A I E -DE 86 117A 1 15,-2.2 15,-3.1 -2,-0.3 2,-0.3 -0.981 17.7-150.2-124.8 112.6 7.4 27.4 14.3 72 90 A Q E -DE 85 116A 50 44,-2.7 44,-2.4 -2,-0.5 2,-0.6 -0.672 3.7-148.3 -80.0 138.7 11.1 26.6 13.9 73 91 A V E +DE 84 115A 0 11,-2.9 10,-2.8 -2,-0.3 11,-1.3 -0.962 27.5 178.4-108.1 115.8 12.3 25.5 10.5 74 92 A R E -DE 82 114A 51 40,-2.8 40,-2.8 -2,-0.6 2,-0.6 -0.850 28.9-113.8-124.2 155.4 15.2 23.0 11.0 75 93 A L E S- E 0 113A 55 6,-2.3 2,-1.7 -2,-0.3 6,-0.4 -0.779 82.2 -26.3 -91.8 121.9 17.5 21.0 8.7 76 94 A G S S+ 0 0 37 36,-2.9 37,-0.1 -2,-0.6 -1,-0.1 -0.250 124.0 21.2 84.8 -51.8 17.2 17.2 8.8 77 95 A S S > S- 0 0 44 -2,-1.7 3,-2.0 35,-0.1 37,-0.2 -0.932 85.2 -96.8-146.8 165.1 15.8 16.5 12.3 78 96 A P T 3 S+ 0 0 60 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.717 128.0 41.8 -61.0 -20.4 13.9 18.2 15.1 79 97 A S T 3 S+ 0 0 105 -4,-0.1 3,-0.1 -5,-0.0 -3,-0.1 0.224 97.4 111.4-105.7 12.1 17.3 18.9 16.8 80 98 A G S < S- 0 0 17 -3,-2.0 -4,-0.1 1,-0.2 3,-0.0 -0.037 81.8 -45.0 -78.0-176.7 19.1 19.9 13.5 81 99 A T - 0 0 94 -6,-0.4 -6,-2.3 -7,-0.1 2,-0.7 -0.186 58.7-123.6 -54.0 133.8 20.4 23.2 12.4 82 100 A L E +D 74 0A 75 -8,-0.2 -8,-0.2 1,-0.2 -1,-0.1 -0.688 29.6 179.1 -83.0 114.3 17.9 26.0 13.0 83 101 A L E - 0 0 14 -10,-2.8 22,-2.4 -2,-0.7 2,-0.3 0.820 61.1 -44.6 -83.7 -36.3 17.3 27.7 9.6 84 102 A G E -D 73 0A 12 -11,-1.3 -11,-2.9 20,-0.2 2,-0.4 -0.965 50.1-112.5 178.6 174.6 14.8 30.3 10.9 85 103 A T E -D 72 0A 26 18,-0.4 2,-0.6 -2,-0.3 -13,-0.2 -0.990 16.8-146.9-132.5 122.3 11.8 30.9 13.1 86 104 A I E -D 71 0A 1 -15,-3.1 -15,-2.2 -2,-0.4 2,-0.5 -0.794 13.8-147.0 -88.7 124.6 8.3 31.8 12.0 87 105 A Y E -D 70 0A 167 -2,-0.6 2,-0.7 14,-0.4 -17,-0.2 -0.815 13.4-165.6 -92.4 121.2 6.5 34.1 14.5 88 106 A V E -D 69 0A 2 -19,-2.9 -19,-2.4 -2,-0.5 3,-0.1 -0.903 4.7-172.0-115.6 98.0 2.8 33.3 14.4 89 107 A G - 0 0 42 -2,-0.7 -22,-0.1 -21,-0.2 -24,-0.1 -0.353 45.2 -64.8 -73.2 171.5 0.7 35.9 16.1 90 108 A S - 0 0 69 -24,-0.2 -24,-0.2 1,-0.1 -1,-0.2 -0.342 32.9-166.6 -61.4 137.1 -3.1 35.3 16.6 91 109 A T - 0 0 21 -26,-2.5 -25,-0.2 -3,-0.1 -1,-0.1 0.210 49.7-112.3-100.3 9.5 -5.3 35.0 13.6 92 110 A G S S+ 0 0 60 -27,-0.5 2,-0.3 2,-0.0 -26,-0.2 0.106 89.8 30.7 86.7 -23.1 -8.3 35.4 15.9 93 111 A S S > S- 0 0 29 -28,-0.5 3,-1.6 3,-0.3 -28,-0.4 -0.963 75.2-120.1-164.0 144.6 -9.5 31.8 15.4 94 112 A F T 3 S+ 0 0 57 -2,-0.3 -30,-0.1 1,-0.3 -28,-0.1 0.603 118.1 53.7 -62.3 -11.1 -8.3 28.3 14.6 95 113 A D T 3 S+ 0 0 123 -30,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.421 90.0 84.6-104.3 0.7 -10.5 28.6 11.5 96 114 A T < - 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