==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-06 2DCY . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR H.KONDO,K.MIYAZAKI,M.TAKENOUCHI,N.NORO,M.SUZUKI,S.TSUDA . 925 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 443 47.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 98 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 1 4 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 5 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 . 0 0 0 5 0 15 5 12 2 5 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 2 0 0 3 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 A 0 0 83 0, 0.0 2,-0.2 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 154.6 19.5 43.3 -1.1 2 2 A S - 0 0 102 183,-0.2 2,-0.2 1,-0.0 183,-0.1 -0.580 360.0-132.9 -74.7 146.9 22.8 44.6 -2.5 3 3 A T + 0 0 24 -2,-0.2 39,-0.2 181,-0.2 3,-0.1 -0.651 23.3 177.9 -93.6 152.1 26.0 43.7 -0.6 4 4 A D + 0 0 63 37,-2.3 2,-0.4 -2,-0.2 38,-0.2 0.281 54.9 75.2-133.6 5.2 28.6 46.4 0.0 5 5 A Y E -A 41 0A 35 36,-2.2 36,-2.1 162,-0.1 2,-0.5 -0.985 51.4-164.0-130.2 138.2 31.4 44.6 2.0 6 6 A W E -A 40 0A 65 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.977 8.4-163.5-120.1 119.4 34.1 42.2 1.1 7 7 A Q E +A 39 0A 17 32,-3.2 32,-2.4 -2,-0.5 2,-0.2 -0.895 20.6 156.8-101.7 127.0 35.8 40.2 3.9 8 8 A N E +A 38 0A 78 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.684 10.6 151.1-155.2 95.2 39.1 38.5 3.0 9 9 A W E +A 37 0A 106 28,-2.4 28,-2.5 -2,-0.2 2,-0.3 -0.979 12.5 173.5-132.8 141.4 41.5 37.7 5.8 10 10 A T E -A 36 0A 57 -2,-0.4 26,-0.2 26,-0.2 4,-0.1 -0.992 36.0-133.2-141.3 151.4 44.2 35.1 6.2 11 11 A D - 0 0 59 24,-2.3 25,-0.1 -2,-0.3 3,-0.1 0.387 62.9 -98.6 -81.9 4.8 46.8 34.4 8.8 12 12 A G S S+ 0 0 30 1,-0.3 2,-0.2 23,-0.2 24,-0.1 0.285 82.9 129.1 99.3 -10.6 49.3 33.9 6.0 13 13 A G - 0 0 5 22,-0.3 21,-0.9 2,-0.0 -1,-0.3 -0.568 67.7 -22.2 -83.4 148.0 49.3 30.1 5.9 14 14 A G S S- 0 0 9 285,-2.9 2,-0.4 19,-0.3 18,-0.2 -0.089 95.7 -55.7 57.6-156.2 48.7 28.2 2.6 15 15 A I E -H 31 0B 90 16,-2.4 16,-2.3 19,-0.1 2,-0.5 -0.992 43.4-173.8-128.7 121.8 47.1 29.8 -0.4 16 16 A V E -H 30 0B 30 -2,-0.4 2,-0.9 14,-0.2 14,-0.2 -0.975 4.4-168.4-114.0 113.8 43.6 31.3 -0.4 17 17 A N E +H 29 0B 97 12,-3.4 12,-1.8 -2,-0.5 2,-0.5 -0.843 17.3 175.0-103.9 89.0 42.3 32.4 -3.8 18 18 A A E -H 28 0B 19 -2,-0.9 2,-0.5 10,-0.2 10,-0.2 -0.892 11.9-162.0-101.1 121.8 39.3 34.4 -2.9 19 19 A V E -H 27 0B 67 8,-3.1 8,-1.8 -2,-0.5 2,-1.0 -0.925 14.7-146.1-115.4 122.5 37.5 36.2 -5.7 20 20 A N E -H 26 0B 86 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.786 35.2-171.8 -84.3 100.9 35.1 39.1 -5.3 21 21 A G - 0 0 24 4,-1.5 2,-0.1 -2,-1.0 5,-0.1 0.028 29.3 -57.8 -87.4-165.8 32.6 38.4 -8.1 22 22 A S S > S- 0 0 111 2,-0.1 3,-2.4 4,-0.0 -1,-0.2 -0.446 99.1 -22.7 -73.8 147.0 29.7 40.2 -9.6 23 23 A G T 3 S- 0 0 55 1,-0.3 162,-0.0 -2,-0.1 -21,-0.0 -0.302 131.5 -18.6 62.1-131.3 26.8 41.3 -7.5 24 24 A G T 3 S+ 0 0 13 16,-0.0 160,-2.1 -4,-0.0 2,-0.3 0.288 110.0 111.5 -88.1 7.1 26.5 39.2 -4.3 25 25 A N E < + I 0 183B 42 -3,-2.4 -4,-1.5 158,-0.3 2,-0.3 -0.614 33.4 159.3 -93.4 147.9 28.7 36.3 -5.7 26 26 A Y E -HI 20 182B 0 156,-2.5 156,-2.5 -2,-0.3 2,-0.3 -0.976 18.2-153.2-150.7 163.5 32.1 35.2 -4.6 27 27 A S E -HI 19 181B 24 -8,-1.8 -8,-3.1 -2,-0.3 2,-0.4 -0.983 2.6-162.2-138.5 158.0 34.3 32.1 -4.7 28 28 A V E +HI 18 180B 0 152,-2.4 152,-2.5 -2,-0.3 2,-0.4 -1.000 9.6 178.3-139.3 132.0 37.0 30.6 -2.8 29 29 A N E +HI 17 179B 86 -12,-1.8 -12,-3.4 -2,-0.4 2,-0.3 -0.996 22.3 173.8-127.3 130.7 39.6 27.9 -3.6 30 30 A W E -HI 16 178B 8 148,-2.7 148,-2.3 -2,-0.4 2,-0.3 -0.965 11.9-175.4-138.6 156.4 42.0 27.2 -0.8 31 31 A S E -H 15 0B 43 -16,-2.3 -16,-2.4 -2,-0.3 146,-0.3 -0.975 62.0 -5.4-156.4 143.5 44.8 24.8 0.1 32 32 A N S S+ 0 0 51 -2,-0.3 267,-0.7 -18,-0.2 -18,-0.2 0.849 89.9 174.0 54.1 38.4 47.2 23.8 2.9 33 33 A T - 0 0 1 143,-2.0 -19,-0.3 1,-0.2 -1,-0.1 -0.109 41.6-150.4 -80.8 171.8 46.0 26.7 4.9 34 34 A G S S- 0 0 10 -21,-0.9 141,-1.8 1,-0.2 142,-0.4 0.179 70.8 -44.2 -90.6-131.7 46.2 28.2 8.4 35 35 A N E S+ B 0 174A 26 139,-0.2 -24,-2.3 140,-0.1 2,-0.3 -0.816 70.1 162.5 -99.1 144.4 43.1 30.0 9.5 36 36 A F E -AB 10 173A 0 137,-1.8 137,-1.8 -2,-0.4 2,-0.3 -0.986 22.5-157.9-154.0 155.8 41.3 32.3 7.1 37 37 A V E +AB 9 172A 4 -28,-2.5 -28,-2.4 -2,-0.3 2,-0.3 -0.963 15.3 172.2-141.4 129.1 37.8 33.9 6.7 38 38 A V E +AB 8 171A 0 133,-2.6 133,-3.0 -2,-0.3 2,-0.3 -0.977 16.0 127.4-131.6 143.6 36.3 35.2 3.4 39 39 A G E -AB 7 170A 0 -32,-2.4 -32,-3.2 -2,-0.3 2,-0.4 -0.981 42.1-117.0 178.8 171.8 32.8 36.5 2.6 40 40 A K E +AB 6 169A 6 129,-1.2 129,-2.7 -2,-0.3 2,-0.2 -0.945 52.6 94.9-121.2 148.8 30.4 39.0 1.3 41 41 A G E -AB 5 168A 0 -36,-2.1 -37,-2.3 -2,-0.4 -36,-2.2 -0.795 65.5 -22.0 175.2-128.2 27.8 41.1 3.1 42 42 A W E - B 0 167A 10 125,-2.9 125,-2.2 -2,-0.2 3,-0.1 -0.876 31.6-140.4-126.7 139.5 27.3 44.4 4.7 43 43 A T S S+ 0 0 2 -2,-0.4 2,-0.6 1,-0.2 563,-0.1 0.857 100.2 42.0 -63.6 -38.5 29.6 47.0 6.2 44 44 A T S S- 0 0 46 122,-0.1 -1,-0.2 123,-0.1 122,-0.2 -0.948 84.6-148.2-115.7 109.9 27.2 47.7 9.1 45 45 A G - 0 0 5 120,-3.0 119,-0.1 -2,-0.6 122,-0.1 -0.263 10.4-160.1 -67.4 161.6 25.6 44.6 10.6 46 46 A S > - 0 0 34 1,-0.0 3,-1.1 -4,-0.0 100,-0.1 -0.997 27.2-138.4-143.0 143.8 22.1 44.5 12.1 47 47 A P T 3 S+ 0 0 31 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.525 107.9 55.0 -76.4 -0.2 20.3 42.3 14.5 48 48 A F T 3 S+ 0 0 168 98,-0.1 99,-0.1 99,-0.1 2,-0.1 0.368 80.8 121.7-106.8 -1.4 17.3 42.6 12.2 49 49 A R < - 0 0 56 -3,-1.1 97,-1.3 96,-0.1 2,-0.6 -0.353 50.3-151.7 -71.5 139.4 18.9 41.5 9.0 50 50 A T E -J 145 0B 65 95,-0.2 2,-0.6 96,-0.1 95,-0.2 -0.967 16.6-155.2-100.4 120.4 17.6 38.5 7.0 51 51 A I E -J 144 0B 0 93,-2.5 93,-2.7 -2,-0.6 2,-0.4 -0.897 8.3-167.5-100.0 122.9 20.6 37.1 5.1 52 52 A N E +J 143 0B 38 133,-2.9 133,-2.5 -2,-0.6 2,-0.3 -0.864 16.0 161.6-105.4 142.3 19.8 35.1 1.9 53 53 A Y E -JK 142 184B 3 89,-2.6 89,-2.7 -2,-0.4 2,-0.4 -0.992 30.2-155.6-152.2 163.1 22.4 33.0 0.2 54 54 A N E - K 0 183B 37 129,-2.2 129,-2.3 -2,-0.3 2,-1.1 -0.937 11.4-159.9-139.6 113.8 22.8 30.2 -2.3 55 55 A A E - K 0 182B 1 85,-0.4 84,-0.7 -2,-0.4 127,-0.3 -0.803 10.3-179.5 -92.9 95.7 26.0 28.1 -2.0 56 56 A G E S+ 0 0 26 -2,-1.1 2,-0.4 125,-0.8 -1,-0.2 0.825 75.7 26.9 -67.1 -29.6 26.3 26.5 -5.4 57 57 A V E + K 0 181B 32 124,-1.7 124,-2.3 -3,-0.1 2,-0.3 -0.999 59.0 167.8-132.2 133.7 29.5 24.7 -4.3 58 58 A W E + K 0 180B 6 -2,-0.4 122,-0.2 122,-0.2 837,-0.1 -0.757 20.1 149.4-142.0 87.8 30.4 23.8 -0.7 59 59 A A E + K 0 179B 2 120,-2.8 120,-1.3 -2,-0.3 2,-0.2 -0.474 13.1 170.9-129.5 66.1 33.3 21.5 -0.9 60 60 A P E - K 0 178B 21 0, 0.0 2,-0.6 0, 0.0 118,-0.3 -0.501 21.4-155.0 -68.6 141.0 35.6 21.7 2.2 61 61 A N E S- K 0 177B 81 116,-3.2 116,-1.7 -2,-0.2 2,-0.4 -0.867 75.7 -18.5-117.1 90.4 38.3 19.0 2.2 62 62 A G S S+ 0 0 13 -2,-0.6 25,-1.5 114,-0.2 2,-0.7 -0.879 126.1 6.2 106.4-147.8 38.9 19.0 5.9 63 63 A N S S+ 0 0 8 111,-0.5 111,-2.1 -2,-0.4 2,-0.3 -0.646 75.2 132.3 -86.2 111.9 37.9 21.7 8.4 64 64 A G E -C 173 0A 0 -2,-0.7 22,-1.2 109,-0.2 2,-0.4 -0.976 37.2-145.2-150.1 154.3 35.8 24.6 6.9 65 65 A Y E -CD 172 85A 15 107,-2.5 107,-2.4 -2,-0.3 2,-0.6 -0.945 7.5-156.0-120.8 142.0 32.6 26.4 7.9 66 66 A L E +CD 171 84A 0 18,-2.5 17,-2.2 -2,-0.4 18,-1.7 -0.977 49.8 144.6-111.0 110.0 29.8 27.9 5.8 67 67 A T E -CD 170 82A 0 103,-2.4 103,-3.4 -2,-0.6 15,-0.3 -0.998 61.2-107.8-153.9 142.8 28.6 30.5 8.2 68 68 A L E -CD 169 81A 0 13,-2.6 13,-1.6 -2,-0.3 2,-0.4 -0.566 49.9-173.1 -63.6 145.0 27.1 33.9 8.9 69 69 A Y E +CD 168 80A 11 99,-2.6 99,-3.0 11,-0.2 2,-0.3 -0.997 17.2 122.0-150.3 133.4 30.0 35.9 10.5 70 70 A G E -CD 167 79A 0 9,-1.8 9,-2.9 -2,-0.4 2,-0.3 -0.986 35.7-121.1-172.4-177.0 30.4 39.2 12.1 71 71 A W E - D 0 78A 6 95,-1.3 94,-2.2 -2,-0.3 2,-0.3 -0.964 7.4-161.6-135.1 155.9 31.3 41.4 15.1 72 72 A T E > -CD 164 77A 0 5,-2.2 5,-2.0 -2,-0.3 2,-0.3 -0.899 10.8-149.7-119.8 163.5 30.0 43.9 17.6 73 73 A R E 5 +C 163 0A 34 90,-2.9 90,-2.2 -2,-0.3 89,-0.3 -0.831 66.8 70.3-116.9 164.7 31.8 46.3 19.9 74 74 A S T 5S+ 0 0 73 -2,-0.3 88,-1.6 87,-0.2 -1,-0.2 0.942 129.3 19.5 55.2 60.1 30.6 47.5 23.3 75 75 A P T 5S- 0 0 72 0, 0.0 2,-0.6 0, 0.0 86,-0.5 0.550 107.4-124.1 -94.3 170.3 31.1 44.8 24.0 76 76 A L T 5 + 0 0 26 -3,-0.2 50,-1.0 48,-0.2 2,-0.4 -0.549 42.4 163.4 -64.1 111.2 33.5 43.0 21.6 77 77 A I E < -De 72 126A 5 -5,-2.0 -5,-2.2 -2,-0.6 2,-0.5 -0.998 28.6-156.4-136.5 132.5 31.8 39.9 20.4 78 78 A E E -De 71 127A 18 48,-1.9 50,-2.3 -2,-0.4 2,-0.3 -0.936 27.5-169.0-100.9 128.1 32.6 37.6 17.4 79 79 A Y E -De 70 128A 0 -9,-2.9 -9,-1.8 -2,-0.5 2,-0.4 -0.928 13.9-170.8-130.5 159.7 29.5 35.7 16.3 80 80 A Y E -De 69 129A 4 48,-2.1 50,-2.1 -2,-0.3 2,-0.5 -0.995 20.4-167.6-142.8 138.8 28.5 32.8 14.0 81 81 A V E -De 68 130A 0 -13,-1.6 -13,-2.6 -2,-0.4 2,-0.6 -0.893 29.1-160.6-123.1 100.0 25.5 31.2 12.5 82 82 A V E +De 67 131A 0 48,-2.9 50,-2.7 -2,-0.5 -15,-0.2 -0.716 21.9 170.6 -88.4 114.6 27.0 28.0 11.1 83 83 A D E + 0 0 0 -17,-2.2 53,-2.9 -2,-0.6 2,-0.3 0.750 67.5 0.5 -94.6 -29.3 24.9 26.3 8.5 84 84 A S E +D 66 0A 0 -18,-1.7 -18,-2.5 51,-0.2 2,-0.3 -0.955 60.1 178.6-154.8 170.4 27.4 23.7 7.3 85 85 A W E -D 65 0A 22 -2,-0.3 -20,-0.2 -20,-0.3 4,-0.1 -0.875 24.8-119.4-157.3-177.6 31.0 22.5 7.8 86 86 A G S S- 0 0 10 -22,-1.2 -23,-0.2 2,-0.5 -1,-0.2 0.482 81.2 -27.7-104.5-113.5 33.5 19.9 6.7 87 87 A T S S+ 0 0 64 -25,-1.5 2,-0.5 1,-0.1 188,-0.2 0.572 126.1 61.3 -83.9 -9.0 35.1 17.3 9.0 88 88 A Y - 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