==== 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 1UY4 . 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) . 6427.0 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 0.000 360.0 360.0 360.0 154.9 16.1 -2.3 -0.7 2 15 A P - 0 0 48 0, 0.0 46,-0.4 0, 0.0 3,-0.1 -0.264 360.0-141.3 -60.5 142.8 16.9 -1.4 -4.4 3 16 A I S S+ 0 0 119 1,-0.1 2,-0.3 44,-0.1 14,-0.0 0.663 84.1 12.2 -73.0 -21.4 19.8 -3.3 -6.0 4 17 A R - 0 0 145 108,-0.0 2,-0.3 47,-0.0 46,-0.2 -0.983 65.6-176.9-154.2 162.5 20.9 -0.1 -7.8 5 18 A R E -a 50 0A 35 44,-2.0 46,-2.7 -2,-0.3 2,-0.4 -0.970 30.3-105.3-159.8 160.7 20.3 3.6 -7.9 6 19 A D E > -a 51 0A 81 -2,-0.3 3,-0.9 44,-0.2 46,-0.2 -0.773 20.7-143.6 -94.1 135.8 21.2 6.9 -9.6 7 20 A A T 3 S+ 0 0 0 44,-2.4 121,-2.6 -2,-0.4 45,-0.1 0.734 97.2 59.1 -68.8 -22.4 23.5 9.2 -7.7 8 21 A F T 3 S+ 0 0 71 43,-0.3 2,-0.3 119,-0.2 -1,-0.3 -0.187 96.5 65.8-109.2 35.7 21.6 12.3 -9.1 9 22 A S S < S- 0 0 68 -3,-0.9 119,-0.2 117,-0.1 117,-0.1 -0.949 102.2 -75.7-144.5 153.2 18.2 11.4 -7.6 10 23 A I - 0 0 80 -2,-0.3 2,-0.5 117,-0.1 117,-0.2 -0.199 41.9-156.6 -53.2 131.7 17.2 11.3 -4.0 11 24 A I E -F 126 0B 2 115,-2.8 115,-1.8 -4,-0.1 2,-0.5 -0.962 15.3-132.4-110.7 125.4 18.4 8.2 -2.2 12 25 A E E > -F 125 0B 55 -2,-0.5 3,-1.6 113,-0.2 113,-0.3 -0.687 5.7-147.3 -83.2 123.4 16.4 7.3 0.9 13 26 A A T 3 S+ 0 0 0 111,-1.9 3,-0.3 -2,-0.5 112,-0.2 0.817 97.1 59.6 -60.2 -32.9 18.6 6.6 3.9 14 27 A E T 3 S+ 0 0 31 110,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.617 91.0 72.6 -71.8 -14.4 16.2 3.9 5.2 15 28 A E S < S+ 0 0 81 -3,-1.6 -1,-0.2 -14,-0.0 2,-0.1 -0.340 71.8 148.4 -96.1 51.8 16.5 2.0 2.0 16 29 A Y - 0 0 60 -2,-0.5 31,-0.2 -3,-0.3 3,-0.1 -0.418 45.7-142.8 -85.2 162.6 20.0 0.7 2.8 17 30 A N S S- 0 0 54 29,-3.0 2,-0.3 1,-0.3 30,-0.2 0.781 73.7 -7.4-100.8 -31.0 21.4 -2.6 1.7 18 31 A S E -B 46 0A 64 28,-1.4 28,-2.9 0, 0.0 -1,-0.3 -0.982 57.0-173.8-160.7 157.7 23.5 -3.7 4.7 19 32 A T E -B 45 0A 44 -2,-0.3 26,-0.2 26,-0.2 24,-0.1 -0.982 28.4-143.9-150.9 153.0 24.8 -2.4 8.0 20 33 A N + 0 0 88 24,-1.3 25,-0.1 -2,-0.3 23,-0.0 0.492 68.2 119.9 -84.1 -7.2 27.2 -3.5 10.8 21 34 A S - 0 0 21 23,-0.6 -2,-0.1 1,-0.1 18,-0.1 -0.273 44.3-175.0 -74.3 142.1 24.8 -1.9 13.3 22 35 A S S S+ 0 0 128 -2,-0.0 -1,-0.1 3,-0.0 17,-0.1 0.346 89.9 39.0-103.9 -0.4 23.1 -3.7 16.1 23 36 A T S S+ 0 0 47 15,-0.1 16,-0.1 17,-0.1 14,-0.1 0.611 79.6 119.7-121.4 -27.8 21.1 -0.5 17.1 24 37 A L - 0 0 23 12,-0.1 2,-0.3 16,-0.1 14,-0.2 -0.159 39.5-175.2 -50.6 133.9 20.1 1.2 13.9 25 38 A Q E -G 37 0B 102 12,-2.1 12,-2.3 0, 0.0 2,-0.5 -0.934 32.7-113.7-126.1 153.0 16.3 1.6 13.4 26 39 A V E -G 36 0B 50 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.793 47.3-169.7 -77.3 124.8 14.1 2.9 10.7 27 40 A I E -G 35 0B 22 8,-2.1 8,-1.9 -2,-0.5 2,-0.2 -0.736 19.4-116.5-116.0 162.2 12.5 6.0 12.2 28 41 A G E -G 34 0B 49 -2,-0.3 6,-0.3 6,-0.2 8,-0.0 -0.621 23.2-144.5 -90.6 160.3 9.7 8.4 11.3 29 42 A T > - 0 0 13 4,-1.7 3,-1.8 -2,-0.2 4,-0.1 -0.799 32.8 -96.5-119.2 164.2 10.2 12.1 10.5 30 43 A P T 3 S+ 0 0 78 0, 0.0 66,-0.0 0, 0.0 65,-0.0 0.779 122.5 48.6 -54.1 -30.7 7.8 15.0 11.3 31 44 A N T 3 S- 0 0 156 3,-0.0 3,-0.1 1,-0.0 -3,-0.0 0.023 126.5 -96.0-101.3 27.2 6.2 15.1 7.8 32 45 A N S < S+ 0 0 155 -3,-1.8 2,-0.1 1,-0.2 -4,-0.0 0.783 86.2 126.9 64.0 31.9 5.6 11.3 7.9 33 46 A G - 0 0 29 -4,-0.1 -4,-1.7 1,-0.0 2,-0.3 -0.249 53.2-121.1 -88.4-172.7 8.7 10.4 6.0 34 47 A R E +G 28 0B 148 -6,-0.3 2,-0.2 -2,-0.1 -6,-0.2 -0.891 31.8 159.2-130.8 167.0 11.3 7.9 7.2 35 48 A G E -G 27 0B 0 -8,-1.9 -8,-2.1 -2,-0.3 2,-0.4 -0.851 39.1 -88.8-160.8-172.4 15.0 7.9 8.0 36 49 A I E +GH 26 123B 0 87,-2.3 87,-2.3 -2,-0.2 2,-0.2 -0.958 48.6 148.6-116.6 145.9 17.6 6.0 10.0 37 50 A G E +G 25 0B 0 -12,-2.3 -12,-2.1 -2,-0.4 3,-0.1 -0.789 37.9 77.8-152.7-165.3 18.5 6.6 13.6 38 51 A Y S S+ 0 0 146 -14,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.857 70.0 162.8 53.3 39.1 19.7 5.0 16.8 39 52 A I - 0 0 5 82,-0.3 2,-0.3 -3,-0.1 -1,-0.2 -0.652 21.6-161.8 -87.1 142.5 23.1 5.1 15.2 40 53 A E > - 0 0 113 -2,-0.3 3,-2.2 79,-0.1 79,-0.3 -0.846 34.1 -74.7-122.5 161.6 26.4 4.7 17.1 41 54 A N T 3 S+ 0 0 120 77,-0.3 77,-0.2 -2,-0.3 3,-0.1 -0.232 118.5 24.4 -48.5 132.4 30.1 5.5 16.6 42 55 A G T 3 S+ 0 0 38 75,-2.7 -1,-0.3 1,-0.3 76,-0.1 0.242 87.2 139.3 89.2 -11.5 31.6 3.0 14.2 43 56 A N < - 0 0 14 -3,-2.2 74,-2.6 74,-0.3 2,-0.4 -0.383 33.8-162.9 -66.6 140.2 28.4 2.1 12.5 44 57 A T E - C 0 116A 17 72,-0.2 -24,-1.3 -2,-0.1 -23,-0.6 -0.956 7.0-165.9-121.4 145.9 28.5 1.7 8.7 45 58 A V E -BC 19 115A 0 70,-2.1 70,-3.1 -2,-0.4 2,-0.4 -0.994 10.6-153.6-134.1 127.2 25.6 1.7 6.3 46 59 A T E -BC 18 114A 16 -28,-2.9 -29,-3.0 -2,-0.4 -28,-1.4 -0.855 9.5-167.4-110.0 137.1 26.0 0.4 2.7 47 60 A Y E - C 0 113A 0 66,-2.9 66,-2.7 -2,-0.4 3,-0.4 -0.983 27.3-129.5-123.6 122.9 24.0 1.4 -0.4 48 61 A S E - 0 0 12 -2,-0.4 -43,-0.2 -46,-0.4 64,-0.1 -0.478 65.6 -8.4 -85.3 139.3 24.6 -0.8 -3.4 49 62 A N E - 0 0 43 -2,-0.2 -44,-2.0 1,-0.2 2,-0.5 0.864 66.7-175.4 53.6 58.2 25.5 0.0 -7.0 50 63 A I E -aC 5 111A 0 61,-2.3 61,-2.5 -3,-0.4 2,-0.8 -0.723 19.0-138.8 -84.0 128.9 25.1 3.8 -7.1 51 64 A D E +aC 6 110A 73 -46,-2.7 -44,-2.4 -2,-0.5 -43,-0.3 -0.823 25.7 174.9 -98.5 111.1 25.7 5.1 -10.6 52 65 A F > - 0 0 0 57,-3.0 3,-2.4 -2,-0.8 -1,-0.1 0.376 21.9-166.2 -90.3 -1.7 27.8 8.2 -10.7 53 66 A G T 3 - 0 0 37 1,-0.3 56,-2.3 55,-0.1 -1,-0.3 -0.189 69.0 -9.6 50.3-127.4 27.9 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 0.431 128.5 -43.9 -87.9 -1.1 30.5 10.8 -15.7 55 68 A G < - 0 0 2 -3,-2.4 76,-1.6 54,-0.1 2,-0.4 -0.290 36.4-152.0 146.5 141.9 31.1 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 -0.997 12.2 171.6-126.2 140.7 30.0 13.5 -8.9 57 70 A T E + 0 0 54 72,-2.2 47,-2.2 -2,-0.4 2,-0.3 0.272 63.5 53.2-128.0 9.4 32.0 16.0 -6.8 58 71 A G E -IJ 103 129B 5 71,-1.5 71,-2.2 45,-0.3 2,-0.4 -0.972 55.6-158.5-145.2 155.5 29.5 16.8 -4.0 59 72 A F E -IJ 102 128B 2 43,-2.4 43,-2.6 -2,-0.3 2,-0.4 -0.999 9.3-174.6-132.0 135.0 27.4 15.1 -1.4 60 73 A S E -IJ 101 127B 24 67,-2.8 67,-2.4 -2,-0.4 2,-0.3 -0.981 5.4-179.9-130.2 135.1 24.3 16.5 0.3 61 74 A A E -IJ 100 126B 2 39,-2.5 39,-2.6 -2,-0.4 2,-0.7 -0.992 27.1-132.8-135.4 150.7 22.3 14.9 3.1 62 75 A T E +IJ 99 125B 26 63,-2.3 62,-2.9 -2,-0.3 63,-0.8 -0.902 45.8 161.6-105.1 113.2 19.2 15.8 5.1 63 76 A V E -IJ 98 123B 0 35,-2.4 35,-2.3 -2,-0.7 2,-0.3 -0.882 30.9-159.0-137.7 155.8 20.1 15.2 8.7 64 77 A A E + J 0 122B 0 58,-2.3 58,-3.1 -2,-0.3 2,-0.3 -0.997 25.4 146.6-137.2 137.6 19.1 16.0 12.3 65 78 A T - 0 0 0 28,-0.4 26,-2.7 31,-0.4 27,-0.7 -0.978 42.6-148.1-163.0 157.9 21.2 15.7 15.4 66 79 A E S S+ 0 0 94 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 0.371 86.0 62.8-104.8 3.5 21.8 17.2 18.9 67 80 A V S S- 0 0 68 53,-0.3 2,-0.3 22,-0.1 24,-0.1 -0.962 90.9-107.5-129.4 142.2 25.6 16.3 18.9 68 81 A N + 0 0 118 -2,-0.4 2,-0.3 21,-0.1 21,-0.2 -0.500 56.9 159.8 -67.1 128.8 28.3 17.5 16.6 69 82 A T E -D 88 0A 11 19,-3.2 19,-3.2 -2,-0.3 2,-0.3 -0.886 30.7-138.6-146.8 170.5 29.1 14.5 14.5 70 83 A S E -D 87 0A 25 -2,-0.3 48,-2.1 17,-0.2 2,-0.4 -0.978 3.8-155.8-138.4 151.2 30.8 13.5 11.2 71 84 A I E -DE 86 117A 2 15,-2.4 15,-3.2 -2,-0.3 2,-0.3 -0.975 11.3-147.7-129.0 117.6 30.0 11.0 8.5 72 85 A Q E -DE 85 116A 58 44,-2.7 44,-2.6 -2,-0.4 2,-0.6 -0.647 8.4-148.9 -78.2 141.9 32.6 9.6 6.2 73 86 A I E +DE 84 115A 0 11,-2.8 10,-2.6 -2,-0.3 11,-1.2 -0.970 23.8 179.4-111.5 115.6 31.5 8.8 2.6 74 87 A R E -DE 82 114A 51 40,-2.8 40,-2.8 -2,-0.6 2,-0.3 -0.881 22.3-129.8-117.5 149.6 33.5 5.8 1.2 75 88 A S E S- E 0 113A 5 6,-2.5 2,-1.8 -2,-0.3 38,-0.2 -0.743 77.8 -9.2 -96.2 144.3 33.4 4.1 -2.1 76 89 A D S S- 0 0 79 36,-2.6 37,-0.1 -2,-0.3 -1,-0.1 -0.200 125.3 -0.8 74.5 -41.8 33.1 0.3 -2.5 77 90 A S S > S- 0 0 40 -2,-1.8 3,-1.8 35,-0.2 37,-0.2 -0.963 84.5 -84.4-163.5 172.6 33.5 -0.8 1.2 78 91 A P T 3 S+ 0 0 61 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.783 131.9 39.8 -58.7 -24.7 34.2 0.5 4.7 79 92 A T T 3 S+ 0 0 129 -5,-0.1 3,-0.1 3,-0.0 -3,-0.1 0.215 97.5 107.2-107.3 11.1 37.9 0.5 3.9 80 93 A G S < S- 0 0 17 -3,-1.8 -4,-0.2 1,-0.2 3,-0.0 -0.002 84.5 -40.8 -78.9-172.5 37.5 1.8 0.3 81 94 A T - 0 0 84 -6,-0.2 -6,-2.5 1,-0.1 2,-0.9 -0.255 55.0-126.5 -59.1 129.5 38.4 5.2 -0.9 82 95 A L E -D 74 0A 73 -8,-0.2 -8,-0.2 1,-0.2 23,-0.1 -0.709 28.7-179.5 -75.1 107.7 37.5 8.1 1.4 83 96 A L E - 0 0 10 -10,-2.6 22,-2.1 -2,-0.9 2,-0.3 0.854 57.8 -51.6 -75.7 -36.3 35.4 10.4 -0.9 84 97 A G E -D 73 0A 11 -11,-1.2 -11,-2.8 20,-0.2 2,-0.4 -0.963 47.0-110.2 176.8 175.2 34.8 13.0 1.7 85 98 A T E -D 72 0A 26 18,-0.4 2,-0.6 -2,-0.3 -13,-0.2 -0.991 17.7-149.1-132.0 128.7 33.6 13.7 5.2 86 99 A L E -D 71 0A 1 -15,-3.2 -15,-2.4 -2,-0.4 2,-0.6 -0.853 11.7-155.0 -96.5 117.9 30.4 15.5 6.1 87 100 A Y E -D 70 0A 169 -2,-0.6 2,-0.5 -17,-0.2 -17,-0.2 -0.842 12.1-169.6 -94.7 126.0 30.6 17.4 9.3 88 101 A V E -D 69 0A 4 -19,-3.2 -19,-3.2 -2,-0.6 2,-0.2 -0.950 3.1-165.7-119.5 112.1 27.3 17.9 11.0 89 102 A S - 0 0 81 -2,-0.5 -24,-0.2 -21,-0.2 -22,-0.1 -0.529 48.1 -62.4 -90.5 165.6 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 -0.171 37.5-163.2 -46.8 133.7 23.7 20.2 16.1 91 104 A T - 0 0 23 -26,-2.7 -1,-0.2 2,-0.2 -25,-0.2 0.349 52.7-101.2 -95.3 -3.1 20.5 21.1 14.2 92 105 A G S S+ 0 0 53 -27,-0.7 2,-0.3 3,-0.0 -26,-0.1 0.044 91.2 19.2 106.1 -23.9 18.8 21.8 17.5 93 106 A S S > S- 0 0 30 -28,-0.4 3,-1.2 3,-0.4 -28,-0.4 -0.970 78.2-104.8-163.9 165.0 16.8 18.6 17.9 94 107 A W T 3 S+ 0 0 87 -2,-0.3 -30,-0.1 1,-0.2 -28,-0.1 0.597 123.9 43.5 -67.2 -12.5 16.5 15.0 16.7 95 108 A N T 3 S+ 0 0 90 -66,-0.1 2,-0.8 -30,-0.1 -1,-0.2 0.292 87.6 95.7-117.5 6.5 13.6 16.1 14.6 96 109 A T < - 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