==== 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 1UY2 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM STERCORARIUM; . AUTHOR A.L.VAN BUEREN,A.B.BORASTON . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 67.2 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 42.0 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 10.7 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 93 0, 0.0 15,-0.1 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 146.9 16.1 -2.0 -0.7 2 15 A P - 0 0 47 0, 0.0 46,-0.4 0, 0.0 3,-0.1 -0.235 360.0-140.3 -59.7 142.6 17.0 -1.3 -4.4 3 16 A I S S+ 0 0 113 1,-0.1 2,-0.3 44,-0.1 14,-0.0 0.705 85.4 12.8 -71.5 -22.0 19.9 -3.2 -6.0 4 17 A R - 0 0 148 108,-0.0 2,-0.3 2,-0.0 46,-0.2 -0.989 65.5-177.4-153.8 163.0 21.0 -0.0 -7.8 5 18 A R E -a 50 0A 32 44,-2.1 46,-3.0 -2,-0.3 2,-0.4 -0.978 30.5-105.5-160.0 160.2 20.4 3.7 -7.9 6 19 A D E > -a 51 0A 83 -2,-0.3 3,-1.0 44,-0.2 46,-0.2 -0.791 21.0-143.7 -93.7 133.0 21.3 7.0 -9.6 7 20 A A T 3 S+ 0 0 0 44,-2.4 121,-2.5 -2,-0.4 45,-0.1 0.726 97.1 59.0 -65.3 -26.6 23.7 9.4 -7.7 8 21 A F T 3 S+ 0 0 71 43,-0.4 2,-0.3 119,-0.2 -1,-0.3 -0.176 96.4 65.5-104.0 35.2 21.8 12.4 -9.0 9 22 A S S < S- 0 0 68 -3,-1.0 119,-0.2 117,-0.1 117,-0.1 -0.942 102.5 -75.3-142.8 154.4 18.4 11.6 -7.6 10 23 A I - 0 0 78 -2,-0.3 2,-0.5 117,-0.1 117,-0.2 -0.180 42.6-157.7 -52.0 132.6 17.3 11.5 -4.0 11 24 A I E -F 126 0B 1 115,-2.7 115,-2.0 -4,-0.1 2,-0.5 -0.972 15.8-132.3-113.0 124.5 18.5 8.3 -2.2 12 25 A E E > -F 125 0B 56 -2,-0.5 3,-1.6 113,-0.2 113,-0.3 -0.715 4.7-146.4 -82.4 125.2 16.5 7.4 0.9 13 26 A A T 3 S+ 0 0 0 111,-1.8 3,-0.3 -2,-0.5 112,-0.2 0.826 97.8 59.4 -59.8 -35.4 18.8 6.7 3.9 14 27 A E T 3 S+ 0 0 30 110,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.609 91.2 72.3 -68.8 -14.9 16.3 4.1 5.2 15 28 A E S < S+ 0 0 81 -3,-1.6 -1,-0.2 -14,-0.0 2,-0.1 -0.355 72.2 147.0 -95.9 51.1 16.6 2.1 2.0 16 29 A Y - 0 0 60 -2,-0.5 31,-0.2 -3,-0.3 3,-0.1 -0.443 46.6-142.0 -85.2 164.6 20.2 0.9 2.8 17 30 A N S S- 0 0 54 29,-3.2 2,-0.3 1,-0.3 30,-0.2 0.804 73.8 -7.7-103.2 -31.9 21.5 -2.5 1.7 18 31 A S E -B 46 0A 63 28,-1.4 28,-2.8 0, 0.0 -1,-0.3 -0.983 56.2-173.9-158.3 158.8 23.6 -3.6 4.7 19 32 A T E -B 45 0A 43 -2,-0.3 26,-0.2 26,-0.2 24,-0.1 -0.983 27.8-142.4-150.2 153.1 24.9 -2.3 8.0 20 33 A N + 0 0 87 24,-1.3 25,-0.1 -2,-0.3 -1,-0.0 0.472 68.2 119.4 -83.8 -6.0 27.2 -3.4 10.8 21 34 A S - 0 0 21 23,-0.6 -2,-0.1 1,-0.1 18,-0.1 -0.246 44.9-174.6 -71.5 149.2 24.9 -1.8 13.4 22 35 A S S S+ 0 0 126 3,-0.0 -1,-0.1 -2,-0.0 17,-0.1 0.357 90.2 40.0-109.2 -1.4 23.1 -3.6 16.1 23 36 A T S S+ 0 0 50 15,-0.1 16,-0.1 17,-0.1 14,-0.1 0.606 79.7 118.7-118.3 -27.0 21.2 -0.4 17.2 24 37 A L - 0 0 22 12,-0.1 2,-0.3 16,-0.1 14,-0.2 -0.165 39.7-176.8 -54.7 135.5 20.2 1.3 14.0 25 38 A Q E -G 37 0B 105 12,-2.1 12,-2.4 0, 0.0 2,-0.5 -0.930 33.7-112.6-129.0 152.8 16.4 1.7 13.4 26 39 A V E -G 36 0B 53 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.764 47.3-168.5 -77.5 125.8 14.3 3.1 10.6 27 40 A I E -G 35 0B 23 8,-2.2 8,-2.2 -2,-0.5 2,-0.2 -0.782 19.0-116.8-116.3 161.7 12.7 6.2 12.2 28 41 A G E -G 34 0B 50 -2,-0.3 6,-0.3 6,-0.2 8,-0.0 -0.609 23.6-145.1 -90.9 157.7 9.9 8.6 11.2 29 42 A T > - 0 0 14 4,-1.7 3,-1.9 -2,-0.2 4,-0.1 -0.780 33.4 -95.0-117.8 163.8 10.4 12.3 10.5 30 43 A P T 3 S+ 0 0 76 0, 0.0 66,-0.0 0, 0.0 65,-0.0 0.767 123.6 48.5 -52.9 -29.5 8.0 15.2 11.3 31 44 A N T 3 S- 0 0 155 3,-0.0 3,-0.1 0, 0.0 -3,-0.0 0.049 126.2 -96.8-102.0 26.3 6.4 15.2 7.9 32 45 A N S < S+ 0 0 154 -3,-1.9 2,-0.1 1,-0.2 -4,-0.0 0.802 85.5 128.2 61.9 33.4 5.8 11.5 7.9 33 46 A G - 0 0 28 -4,-0.1 -4,-1.7 1,-0.0 2,-0.3 -0.274 53.1-120.8 -87.6-173.6 8.9 10.6 6.0 34 47 A R E +G 28 0B 153 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.892 32.5 158.4-128.8 164.3 11.4 8.1 7.2 35 48 A G E -G 27 0B 0 -8,-2.2 -8,-2.2 -2,-0.3 2,-0.4 -0.851 39.0 -89.0-158.0-169.7 15.1 8.0 8.0 36 49 A I E +GH 26 123B 0 87,-2.1 87,-2.4 -2,-0.3 2,-0.2 -0.960 48.8 146.4-117.1 142.6 17.7 6.1 10.0 37 50 A G E +G 25 0B 0 -12,-2.4 -12,-2.1 -2,-0.4 3,-0.1 -0.778 37.2 80.2-151.4-159.9 18.6 6.8 13.5 38 51 A Y S S+ 0 0 148 -14,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.852 70.6 163.9 50.2 39.4 19.8 5.1 16.8 39 52 A I - 0 0 4 82,-0.4 2,-0.3 -15,-0.1 -1,-0.2 -0.650 21.5-162.0 -87.5 141.3 23.2 5.2 15.2 40 53 A E > - 0 0 112 -2,-0.3 3,-2.4 79,-0.1 79,-0.3 -0.827 34.0 -75.9-120.3 159.7 26.5 4.8 17.1 41 54 A N T 3 S+ 0 0 122 77,-0.3 77,-0.3 -2,-0.3 3,-0.1 -0.255 118.7 23.8 -49.3 131.5 30.2 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 0.228 87.4 139.7 89.7 -11.4 31.7 3.0 14.2 43 56 A N < - 0 0 14 -3,-2.4 74,-2.7 74,-0.3 2,-0.4 -0.358 33.9-162.6 -64.8 140.1 28.4 2.2 12.5 44 57 A T E - C 0 116A 18 72,-0.2 -24,-1.3 -3,-0.1 -23,-0.6 -0.950 7.5-166.5-122.0 146.1 28.6 1.7 8.7 45 58 A V E -BC 19 115A 0 70,-2.0 70,-3.1 -2,-0.4 2,-0.4 -0.991 10.6-154.2-135.9 127.2 25.7 1.8 6.3 46 59 A T E -BC 18 114A 17 -28,-2.8 -29,-3.2 -2,-0.4 -28,-1.4 -0.868 10.0-167.2-109.0 139.9 26.1 0.6 2.7 47 60 A Y E - C 0 113A 0 66,-3.0 66,-2.9 -2,-0.4 3,-0.4 -0.983 26.4-131.1-126.9 123.6 24.1 1.5 -0.4 48 61 A S E - 0 0 11 -2,-0.4 -43,-0.2 -46,-0.4 64,-0.1 -0.476 65.7 -7.1 -87.3 139.0 24.7 -0.8 -3.4 49 62 A N E - 0 0 46 -2,-0.2 -44,-2.1 1,-0.2 2,-0.5 0.855 66.3-176.6 53.5 57.8 25.5 0.1 -6.9 50 63 A I E -aC 5 111A 0 61,-2.2 61,-2.5 -3,-0.4 2,-0.8 -0.717 20.4-138.2 -84.5 127.2 25.2 3.9 -7.1 51 64 A D E +aC 6 110A 71 -46,-3.0 -44,-2.4 -2,-0.5 -43,-0.4 -0.819 25.4 176.0 -95.9 111.0 25.8 5.2 -10.6 52 65 A F > - 0 0 0 57,-3.0 3,-2.5 -2,-0.8 -1,-0.1 0.358 21.8-166.5 -88.7 -1.1 27.9 8.3 -10.7 53 66 A G T 3 - 0 0 36 1,-0.3 56,-2.3 55,-0.2 -1,-0.3 -0.157 68.1 -9.8 49.8-129.6 28.0 8.4 -14.5 54 67 A S T 3 S- 0 0 109 1,-0.2 -1,-0.3 54,-0.2 54,-0.1 0.401 128.4 -40.4 -85.0 1.3 30.6 10.8 -15.7 55 68 A G < - 0 0 1 -3,-2.5 76,-1.3 54,-0.1 2,-0.4 -0.270 38.3-155.4 145.1 134.4 31.4 12.3 -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 12.0 171.3-123.1 139.5 30.2 13.6 -8.9 57 70 A T E + 0 0 53 72,-2.3 47,-2.4 -2,-0.4 2,-0.3 0.288 62.7 52.7-128.4 9.5 32.2 16.1 -6.7 58 71 A G E -IJ 103 129B 5 71,-1.4 71,-2.1 45,-0.3 2,-0.4 -0.964 55.0-159.1-144.8 158.0 29.7 16.8 -4.0 59 72 A F E -IJ 102 128B 2 43,-2.3 43,-2.8 -2,-0.3 2,-0.4 -0.999 8.4-175.1-134.4 136.5 27.5 15.2 -1.4 60 73 A S E -IJ 101 127B 24 67,-2.7 67,-2.4 -2,-0.4 2,-0.3 -0.989 5.2-179.7-131.8 135.3 24.5 16.6 0.3 61 74 A A E -IJ 100 126B 1 39,-2.6 39,-2.7 -2,-0.4 2,-0.7 -0.984 26.3-133.2-134.1 150.5 22.5 14.9 3.1 62 75 A T E +IJ 99 125B 24 63,-2.4 62,-2.9 -2,-0.3 63,-0.9 -0.919 45.5 160.4-104.2 116.6 19.4 15.9 5.1 63 76 A V E -IJ 98 123B 0 35,-2.4 35,-2.2 -2,-0.7 2,-0.4 -0.865 32.1-155.2-139.2 159.7 20.2 15.2 8.7 64 77 A A E + J 0 122B 0 58,-2.4 58,-3.0 -2,-0.3 2,-0.3 -0.999 26.0 148.1-138.9 137.0 19.2 16.1 12.3 65 78 A T - 0 0 0 28,-0.5 26,-2.8 31,-0.4 27,-0.8 -0.976 42.0-148.2-161.4 155.9 21.3 15.8 15.4 66 79 A E S S+ 0 0 92 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 0.406 85.5 59.6-103.4 3.3 22.0 17.4 18.8 67 80 A V S S- 0 0 59 53,-0.3 2,-0.3 22,-0.1 24,-0.1 -0.955 91.5-103.2-129.4 149.4 25.7 16.6 18.8 68 81 A N + 0 0 125 -2,-0.3 2,-0.3 21,-0.1 21,-0.2 -0.490 57.7 159.2 -66.9 127.0 28.5 17.6 16.6 69 82 A T E -D 88 0A 11 19,-3.1 19,-3.1 -2,-0.3 2,-0.3 -0.896 30.5-139.2-145.2 172.8 29.3 14.6 14.5 70 83 A S E -D 87 0A 25 -2,-0.3 48,-1.9 17,-0.2 2,-0.5 -0.984 3.6-157.3-138.6 150.7 30.9 13.6 11.2 71 84 A I E -DE 86 117A 3 15,-2.4 15,-3.3 -2,-0.3 2,-0.3 -0.975 11.7-147.8-130.1 117.7 30.1 11.1 8.5 72 85 A Q E -DE 85 116A 58 44,-2.6 44,-2.5 -2,-0.5 2,-0.6 -0.654 8.1-148.7 -77.3 143.7 32.7 9.6 6.2 73 86 A I E -DE 84 115A 0 11,-2.9 10,-2.5 -2,-0.3 11,-1.3 -0.967 23.5-179.3-114.0 117.6 31.6 8.8 2.6 74 87 A R E -DE 82 114A 51 40,-2.7 40,-2.7 -2,-0.6 2,-0.3 -0.898 21.6-131.2-117.2 148.2 33.6 5.9 1.3 75 88 A S E S- E 0 113A 5 6,-2.5 2,-1.9 -2,-0.4 38,-0.2 -0.727 77.9 -7.8 -94.6 145.4 33.5 4.1 -2.0 76 89 A D S S- 0 0 78 36,-2.5 37,-0.1 -2,-0.3 -1,-0.1 -0.247 124.9 -3.2 75.6 -42.0 33.3 0.3 -2.4 77 90 A S S > S- 0 0 40 -2,-1.9 3,-2.0 35,-0.1 37,-0.2 -0.951 84.8 -82.6-166.2 172.8 33.7 -0.8 1.2 78 91 A P T 3 S+ 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.753 132.6 39.8 -59.7 -23.4 34.3 0.5 4.7 79 92 A T T 3 S+ 0 0 130 -5,-0.1 3,-0.1 3,-0.0 -3,-0.1 0.183 97.3 109.2-108.5 11.1 38.0 0.5 3.9 80 93 A G S < S- 0 0 16 -3,-2.0 -4,-0.2 1,-0.2 3,-0.0 -0.028 84.0 -43.8 -76.5-175.8 37.6 1.8 0.4 81 94 A T - 0 0 83 -6,-0.2 -6,-2.5 1,-0.1 2,-0.9 -0.256 54.9-125.3 -55.6 128.8 38.5 5.3 -0.8 82 95 A L E -D 74 0A 73 -8,-0.2 -8,-0.2 1,-0.2 23,-0.1 -0.712 28.7-179.1 -74.1 108.7 37.6 8.2 1.4 83 96 A L E - 0 0 9 -10,-2.5 22,-2.0 -2,-0.9 2,-0.3 0.857 58.4 -51.3 -75.2 -37.0 35.5 10.4 -0.9 84 97 A G E -D 73 0A 10 -11,-1.3 -11,-2.9 20,-0.2 2,-0.4 -0.969 46.8-110.9 177.8 175.7 34.9 13.0 1.7 85 98 A T E -D 72 0A 26 18,-0.4 2,-0.7 -2,-0.3 -13,-0.2 -0.992 18.1-147.9-133.6 127.4 33.7 13.7 5.2 86 99 A L E -D 71 0A 1 -15,-3.3 -15,-2.4 -2,-0.4 2,-0.5 -0.865 12.3-155.3 -94.0 118.3 30.5 15.6 6.1 87 100 A Y E -D 70 0A 169 -2,-0.7 2,-0.5 -17,-0.2 -17,-0.2 -0.837 12.7-170.9 -93.7 124.9 30.8 17.5 9.3 88 101 A V E -D 69 0A 5 -19,-3.1 -19,-3.1 -2,-0.5 2,-0.2 -0.952 4.5-164.5-121.2 113.9 27.4 18.1 10.9 89 102 A S - 0 0 79 -2,-0.5 -24,-0.2 -21,-0.2 -22,-0.1 -0.501 48.8 -62.1 -89.9 167.1 27.0 20.4 13.9 90 103 A S - 0 0 57 -24,-0.2 -24,-0.2 1,-0.2 -1,-0.2 -0.181 37.5-161.9 -48.4 133.1 23.9 20.3 16.1 91 104 A T - 0 0 22 -26,-2.8 -1,-0.2 2,-0.2 -25,-0.2 0.337 52.3-102.7 -93.3 -4.4 20.7 21.2 14.1 92 105 A G S S+ 0 0 56 -27,-0.8 2,-0.3 3,-0.0 -26,-0.1 0.151 91.0 22.2 107.2 -18.8 19.0 22.0 17.4 93 106 A S S > S- 0 0 31 -28,-0.4 3,-1.1 3,-0.4 -28,-0.5 -0.947 78.3-107.2-166.3 161.7 16.9 18.8 17.8 94 107 A W T 3 S+ 0 0 88 -2,-0.3 -30,-0.1 1,-0.2 -28,-0.1 0.556 123.7 44.9 -66.6 -10.6 16.7 15.2 16.7 95 108 A N T 3 S+ 0 0 87 -66,-0.1 2,-0.8 -30,-0.1 -1,-0.2 0.308 86.8 94.8-118.6 3.4 13.7 16.4 14.6 96 109 A T < - 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