==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING MODULE 01-MAR-04 1UY3 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM STERCORARIUM; . AUTHOR A.L.VAN BUEREN,A.B.BORASTON . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 66.7 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 . 55 41.7 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 0.8 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 . 14 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.3 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+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 2 0 1 1 2 1 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 14 A S 0 0 96 0, 0.0 15,-0.1 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 155.7 16.0 -2.4 -0.8 2 15 A P - 0 0 48 0, 0.0 46,-0.4 0, 0.0 3,-0.1 -0.217 360.0-141.7 -58.7 140.4 16.8 -1.4 -4.5 3 16 A I S S+ 0 0 122 1,-0.2 2,-0.3 44,-0.1 14,-0.0 0.709 84.0 10.8 -72.0 -23.3 19.7 -3.3 -6.0 4 17 A R - 0 0 143 108,-0.0 2,-0.3 47,-0.0 46,-0.2 -0.987 66.7-175.2-154.4 159.9 20.9 -0.2 -7.8 5 18 A R E -a 50 0A 32 44,-2.0 46,-2.8 -2,-0.3 2,-0.4 -0.954 30.4-104.1-155.5 158.8 20.2 3.6 -7.9 6 19 A D E > -a 51 0A 84 -2,-0.3 3,-0.8 44,-0.2 46,-0.2 -0.791 21.6-144.0 -87.2 133.6 21.0 6.9 -9.7 7 20 A A T 3 S+ 0 0 0 44,-2.5 121,-2.5 -2,-0.4 45,-0.1 0.721 97.4 57.7 -64.9 -24.0 23.4 9.2 -7.8 8 21 A F T 3 S+ 0 0 71 43,-0.3 2,-0.3 119,-0.2 -1,-0.2 -0.259 96.7 66.6-110.0 37.5 21.5 12.3 -9.0 9 22 A S S < S- 0 0 67 -3,-0.8 119,-0.2 117,-0.1 117,-0.1 -0.938 102.8 -76.2-144.5 156.2 18.1 11.4 -7.7 10 23 A I - 0 0 80 -2,-0.3 2,-0.5 117,-0.1 117,-0.2 -0.239 42.0-157.1 -58.9 133.4 17.1 11.2 -4.0 11 24 A I E -F 126 0B 2 115,-3.0 115,-2.0 -4,-0.1 2,-0.4 -0.961 15.3-132.9-110.7 125.5 18.3 8.1 -2.2 12 25 A E E > -F 125 0B 54 -2,-0.5 3,-1.5 113,-0.2 113,-0.3 -0.694 4.9-147.0 -82.7 127.2 16.3 7.2 0.9 13 26 A A T 3 S+ 0 0 0 111,-1.9 3,-0.3 -2,-0.4 112,-0.2 0.846 96.9 60.4 -63.7 -35.4 18.6 6.4 3.8 14 27 A E T 3 S+ 0 0 31 110,-0.6 2,-0.5 1,-0.3 -1,-0.3 0.612 90.8 72.1 -68.4 -13.2 16.1 3.9 5.2 15 28 A E S < S+ 0 0 80 -3,-1.5 -1,-0.3 -14,-0.0 2,-0.1 -0.359 71.8 148.8 -99.3 55.1 16.5 1.9 2.0 16 29 A Y - 0 0 59 -2,-0.5 31,-0.2 -3,-0.3 3,-0.1 -0.431 45.5-142.3 -86.2 161.9 20.0 0.6 2.8 17 30 A N S S- 0 0 55 29,-3.2 2,-0.3 1,-0.3 30,-0.2 0.788 74.0 -8.9 -98.2 -32.4 21.4 -2.7 1.6 18 31 A S E -B 46 0A 64 28,-1.4 28,-2.9 0, 0.0 -1,-0.3 -0.982 56.8-173.3-159.0 162.0 23.5 -3.8 4.6 19 32 A T E -B 45 0A 44 -2,-0.3 26,-0.2 26,-0.2 24,-0.1 -0.981 28.6-142.7-152.9 152.6 24.8 -2.5 7.8 20 33 A N + 0 0 86 24,-1.3 25,-0.1 -2,-0.3 2,-0.1 0.456 68.4 119.3 -83.4 -5.9 27.1 -3.6 10.7 21 34 A S - 0 0 20 23,-0.6 -2,-0.1 1,-0.1 18,-0.1 -0.296 43.9-175.4 -76.2 141.7 24.8 -2.0 13.2 22 35 A S S S+ 0 0 128 -2,-0.1 -1,-0.1 3,-0.0 17,-0.1 0.402 89.9 39.7-105.2 -2.7 23.1 -3.8 16.0 23 36 A T S S+ 0 0 50 15,-0.1 16,-0.1 17,-0.1 14,-0.1 0.635 80.1 120.2-116.9 -27.7 21.1 -0.7 17.1 24 37 A L - 0 0 23 16,-0.1 2,-0.3 1,-0.1 14,-0.2 -0.114 39.2-175.8 -53.2 133.0 20.1 1.1 13.9 25 38 A Q E -G 37 0B 105 12,-2.1 12,-2.3 0, 0.0 2,-0.5 -0.944 33.3-113.5-124.8 154.1 16.3 1.5 13.4 26 39 A V E -G 36 0B 50 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.759 46.8-169.2 -78.8 122.7 14.1 2.8 10.6 27 40 A I E -G 35 0B 21 8,-2.2 8,-2.0 -2,-0.5 2,-0.2 -0.783 18.2-119.2-112.1 161.7 12.6 5.9 12.2 28 41 A G E -G 34 0B 48 -2,-0.3 6,-0.3 6,-0.2 8,-0.0 -0.633 23.1-141.9 -91.5 163.1 9.7 8.2 11.2 29 42 A T > - 0 0 16 4,-1.7 3,-2.0 -2,-0.2 4,-0.1 -0.762 31.4 -96.8-120.6 164.3 10.1 12.0 10.6 30 43 A P T 3 S+ 0 0 76 0, 0.0 65,-0.0 0, 0.0 66,-0.0 0.749 123.4 49.1 -53.0 -30.4 7.8 14.9 11.4 31 44 A N T 3 S- 0 0 155 3,-0.0 3,-0.1 0, 0.0 -3,-0.0 0.036 126.3 -97.7-100.4 26.1 6.2 15.0 8.0 32 45 A N S < S+ 0 0 157 -3,-2.0 2,-0.1 1,-0.2 -4,-0.0 0.782 86.0 124.8 64.1 31.5 5.6 11.2 8.0 33 46 A G - 0 0 29 -4,-0.1 -4,-1.7 1,-0.0 2,-0.3 -0.240 53.7-121.0 -93.1-167.9 8.6 10.3 6.0 34 47 A R E +G 28 0B 148 -6,-0.3 2,-0.3 90,-0.1 -6,-0.2 -0.905 31.9 157.2-134.4 165.4 11.3 7.8 7.3 35 48 A G E -G 27 0B 0 -8,-2.0 -8,-2.2 -2,-0.3 2,-0.4 -0.860 40.5 -83.2-158.6-165.9 15.0 7.7 8.0 36 49 A I E +GH 26 123B 0 87,-2.4 87,-2.4 -2,-0.3 2,-0.2 -0.947 49.8 146.3-116.8 142.0 17.6 5.9 9.9 37 50 A G E +G 25 0B 0 -12,-2.3 -12,-2.1 -2,-0.4 3,-0.1 -0.789 37.3 79.0-150.5-162.6 18.5 6.5 13.5 38 51 A Y S S+ 0 0 147 -14,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.881 70.4 162.8 51.7 44.6 19.7 4.9 16.7 39 52 A I - 0 0 4 82,-0.3 2,-0.3 -3,-0.1 -1,-0.2 -0.677 22.3-161.7 -95.9 141.9 23.1 5.0 15.2 40 53 A E > - 0 0 112 -2,-0.3 3,-2.2 79,-0.1 79,-0.3 -0.870 34.6 -74.7-121.2 162.4 26.4 4.6 17.0 41 54 A N T 3 S+ 0 0 120 77,-0.4 77,-0.3 -2,-0.3 3,-0.1 -0.205 118.4 23.7 -48.1 130.3 30.1 5.4 16.5 42 55 A G T 3 S+ 0 0 36 75,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.327 87.2 140.8 88.9 -7.3 31.6 2.9 14.0 43 56 A N < - 0 0 14 -3,-2.2 74,-2.6 74,-0.4 2,-0.4 -0.454 33.6-162.0 -67.8 141.1 28.3 2.0 12.4 44 57 A T E - C 0 116A 16 72,-0.2 -24,-1.3 -2,-0.2 -23,-0.6 -0.950 7.7-167.1-119.9 148.7 28.5 1.6 8.7 45 58 A V E -BC 19 115A 0 70,-2.2 70,-2.8 -2,-0.4 2,-0.4 -0.988 9.9-154.3-139.4 126.2 25.6 1.6 6.2 46 59 A T E -BC 18 114A 17 -28,-2.9 -29,-3.2 -2,-0.4 -28,-1.4 -0.852 9.6-167.8-111.7 141.5 25.9 0.4 2.6 47 60 A Y E - C 0 113A 0 66,-3.1 66,-2.6 -2,-0.4 3,-0.4 -0.981 27.6-128.8-127.6 121.1 24.0 1.4 -0.4 48 61 A S E - 0 0 13 -2,-0.5 -43,-0.2 -46,-0.4 64,-0.1 -0.507 65.9 -9.0 -83.9 142.1 24.5 -0.9 -3.5 49 62 A N E - 0 0 46 1,-0.2 -44,-2.0 -2,-0.2 2,-0.5 0.854 67.3-174.6 53.7 55.7 25.4 -0.0 -7.1 50 63 A I E -aC 5 111A 0 61,-2.4 61,-2.6 -3,-0.4 2,-0.8 -0.733 19.3-138.0 -83.3 127.3 25.0 3.8 -7.1 51 64 A D E +aC 6 110A 68 -46,-2.8 -44,-2.5 -2,-0.5 -43,-0.3 -0.818 27.3 173.7 -95.2 107.6 25.5 5.1 -10.6 52 65 A F > - 0 0 0 57,-3.0 3,-2.4 -2,-0.8 -1,-0.1 0.368 21.3-167.3 -88.1 -2.2 27.6 8.2 -10.7 53 66 A G T 3 - 0 0 36 1,-0.3 56,-2.2 55,-0.2 -1,-0.2 -0.162 68.4 -8.6 49.5-129.7 27.8 8.4 -14.5 54 67 A S T 3 S- 0 0 111 1,-0.2 -1,-0.3 54,-0.2 54,-0.1 0.394 128.4 -45.4 -85.6 1.8 30.4 10.8 -15.8 55 68 A G < - 0 0 2 -3,-2.4 76,-1.7 54,-0.1 2,-0.4 -0.208 36.9-150.4 143.0 139.7 31.0 12.2 -12.3 56 69 A A E +IJ 107 130B 0 51,-1.6 51,-1.6 74,-0.3 74,-0.3 -0.989 12.3 172.5-123.7 137.3 29.9 13.5 -8.9 57 70 A T E + 0 0 53 72,-2.1 47,-2.4 -2,-0.4 2,-0.3 0.290 63.8 52.6-124.4 5.8 31.9 16.1 -6.8 58 71 A G E -IJ 103 129B 5 71,-1.4 71,-2.1 45,-0.3 2,-0.4 -0.974 55.3-160.1-141.3 157.6 29.4 16.8 -4.0 59 72 A F E -IJ 102 128B 2 43,-2.3 43,-2.6 -2,-0.3 2,-0.4 -0.999 9.5-175.3-136.0 133.4 27.2 15.0 -1.4 60 73 A S E -IJ 101 127B 25 67,-2.6 67,-2.4 -2,-0.4 2,-0.3 -0.991 4.4-178.4-128.9 134.4 24.2 16.4 0.3 61 74 A A E -IJ 100 126B 1 39,-2.7 39,-2.6 -2,-0.4 2,-0.7 -0.982 27.0-131.6-132.6 151.2 22.2 14.7 3.1 62 75 A T E +IJ 99 125B 27 63,-2.4 62,-3.0 -2,-0.3 63,-0.8 -0.909 46.6 161.8-103.0 113.5 19.1 15.7 5.1 63 76 A V E -IJ 98 123B 0 35,-2.4 35,-2.1 -2,-0.7 2,-0.4 -0.895 31.3-159.7-137.0 156.4 20.0 15.1 8.7 64 77 A A E + J 0 122B 0 58,-2.2 58,-3.0 -2,-0.3 2,-0.3 -0.998 24.4 149.9-138.6 136.9 19.0 15.9 12.3 65 78 A T - 0 0 0 31,-0.4 26,-3.0 28,-0.4 27,-0.7 -0.980 41.7-148.4-161.1 157.5 21.2 15.6 15.4 66 79 A E S S+ 0 0 95 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 0.356 86.3 59.7-103.2 -1.2 21.8 17.1 18.8 67 80 A V S S- 0 0 69 53,-0.3 2,-0.2 22,-0.1 24,-0.1 -0.963 91.6-104.5-129.4 145.2 25.5 16.3 18.8 68 81 A N + 0 0 116 -2,-0.4 2,-0.3 21,-0.1 21,-0.2 -0.483 57.8 157.0 -67.1 128.5 28.3 17.4 16.6 69 82 A T E -D 88 0A 11 19,-3.0 19,-3.5 -2,-0.2 2,-0.3 -0.925 31.1-138.7-149.7 167.6 29.1 14.4 14.4 70 83 A S E -D 87 0A 26 -2,-0.3 48,-2.0 17,-0.2 2,-0.4 -0.970 3.0-155.1-135.5 154.5 30.7 13.4 11.1 71 84 A I E -DE 86 117A 2 15,-2.2 15,-3.1 -2,-0.3 2,-0.3 -0.980 12.5-146.9-131.4 115.1 29.9 10.9 8.3 72 85 A Q E -DE 85 116A 58 44,-2.5 44,-2.2 -2,-0.4 2,-0.6 -0.623 9.4-147.8 -75.0 142.2 32.6 9.5 6.1 73 86 A I E -DE 84 115A 0 11,-3.0 10,-2.6 -2,-0.3 11,-1.3 -0.968 23.9-179.7-114.0 115.0 31.5 8.8 2.5 74 87 A R E -DE 82 114A 50 40,-2.6 40,-2.8 -2,-0.6 2,-0.3 -0.893 22.2-130.9-117.8 147.6 33.4 5.8 1.1 75 88 A S E S- E 0 113A 6 6,-2.4 2,-1.8 -2,-0.4 38,-0.2 -0.742 78.4 -8.3 -92.8 142.9 33.3 4.1 -2.2 76 89 A D S S- 0 0 80 36,-2.6 37,-0.1 -2,-0.3 -1,-0.1 -0.202 125.3 -2.0 76.1 -42.6 33.0 0.2 -2.6 77 90 A S S > S- 0 0 40 -2,-1.8 3,-1.7 35,-0.2 37,-0.2 -0.955 85.7 -82.4-165.9 171.0 33.4 -0.9 1.1 78 91 A P T 3 S+ 0 0 61 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.760 132.5 40.1 -58.4 -25.0 34.0 0.5 4.6 79 92 A T T 3 S+ 0 0 128 -5,-0.1 3,-0.1 3,-0.0 -3,-0.1 0.204 96.1 108.5-106.9 10.9 37.8 0.5 3.7 80 93 A G S < S- 0 0 16 -3,-1.7 -4,-0.1 1,-0.2 3,-0.0 -0.031 84.5 -41.9 -71.6-171.6 37.4 1.8 0.2 81 94 A T - 0 0 83 -6,-0.2 -6,-2.4 1,-0.1 2,-0.9 -0.269 55.6-126.2 -60.8 126.2 38.3 5.3 -1.1 82 95 A L E -D 74 0A 72 -8,-0.2 -8,-0.2 1,-0.2 23,-0.1 -0.705 28.1-178.3 -71.0 107.0 37.3 8.1 1.3 83 96 A L E - 0 0 10 -10,-2.6 22,-2.2 -2,-0.9 2,-0.3 0.852 58.4 -55.5 -75.0 -35.0 35.3 10.3 -1.0 84 97 A G E -D 73 0A 13 -11,-1.3 -11,-3.0 20,-0.2 2,-0.4 -0.962 46.6-106.7 173.2 177.9 34.7 12.9 1.7 85 98 A T E -D 72 0A 25 18,-0.4 2,-0.6 -2,-0.3 -13,-0.2 -0.999 18.4-147.7-134.3 128.4 33.4 13.6 5.2 86 99 A L E -D 71 0A 0 -15,-3.1 -15,-2.2 -2,-0.4 2,-0.6 -0.868 13.0-153.9 -96.7 120.2 30.2 15.5 6.0 87 100 A Y E -D 70 0A 169 -2,-0.6 2,-0.5 -17,-0.2 -17,-0.2 -0.847 12.2-170.6 -95.2 124.6 30.5 17.4 9.3 88 101 A V E -D 69 0A 4 -19,-3.5 -19,-3.0 -2,-0.6 2,-0.2 -0.952 2.7-167.0-118.9 111.1 27.2 17.9 10.9 89 102 A S - 0 0 82 -2,-0.5 -24,-0.2 -21,-0.2 -22,-0.1 -0.538 49.8 -59.7 -87.1 169.3 26.8 20.2 13.9 90 103 A S - 0 0 57 -24,-0.2 -24,-0.2 -2,-0.2 -1,-0.2 -0.138 39.1-163.5 -49.2 132.1 23.7 20.2 16.1 91 104 A T - 0 0 24 -26,-3.0 -25,-0.2 2,-0.2 -1,-0.2 0.379 52.7-100.5 -94.9 -2.9 20.5 21.0 14.2 92 105 A G S S+ 0 0 54 -27,-0.7 2,-0.3 2,-0.0 -26,-0.1 0.079 90.9 15.4 109.2 -22.8 18.7 21.7 17.5 93 106 A S S > S- 0 0 28 -28,-0.5 3,-1.2 3,-0.4 -28,-0.4 -0.967 77.2-102.8-169.2 165.2 16.8 18.5 17.9 94 107 A W T 3 S+ 0 0 89 -2,-0.3 -30,-0.1 1,-0.2 -28,-0.1 0.622 124.3 44.1 -68.8 -13.6 16.5 14.8 16.7 95 108 A N T 3 S+ 0 0 90 -66,-0.1 2,-0.9 1,-0.1 -1,-0.2 0.268 87.5 94.5-115.1 8.2 13.5 16.0 14.6 96 109 A T < - 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