==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-APR-01 1IGO . COMPND 2 MOLECULE: FAMILY 11 XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.J.OAKLEY,C.THOMSON,T.HEINRICH,R.DUNLOP,M.C.J.WILCE . 410 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 78.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 50.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 . 42 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 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 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 2 2 2 4 4 2 2 4 2 2 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 0 2 0 2 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 2 A A 0 0 99 0, 0.0 2,-0.4 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 -75.7 -13.9 -16.3 20.7 2 2BA T E -A 30 0A 69 28,-1.1 28,-3.3 2,-0.0 2,-0.5 -0.882 360.0-157.3-107.7 137.1 -14.6 -19.0 23.2 3 3 A T E -A 29 0A 82 -2,-0.4 2,-0.3 26,-0.2 26,-0.2 -0.939 9.1-172.6-114.6 130.9 -14.8 -18.3 26.9 4 4 A I E -A 28 0A 18 24,-2.9 24,-2.6 -2,-0.5 3,-0.1 -0.844 15.5-175.9-119.6 158.3 -14.3 -21.0 29.6 5 5 A T + 0 0 83 -2,-0.3 21,-0.5 22,-0.2 2,-0.3 0.429 64.0 51.4-132.0 -4.2 -14.8 -20.8 33.3 6 6 A S S S- 0 0 67 22,-0.1 13,-0.1 19,-0.1 -1,-0.1 -0.907 101.3 -56.5-134.9 162.9 -13.7 -24.2 34.7 7 7 A N + 0 0 82 -2,-0.3 2,-0.3 14,-0.2 13,-0.2 -0.035 69.3 150.1 -39.8 122.5 -10.6 -26.4 34.5 8 8 A Q E -G 19 0B 79 11,-2.0 11,-2.3 -4,-0.1 2,-0.4 -0.939 27.5-167.9-163.4 138.4 -9.9 -27.3 30.9 9 9 A T E +G 18 0B 72 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.951 31.8 113.7-126.4 146.0 -7.0 -28.1 28.6 10 10 A G E -G 17 0B 23 7,-2.1 7,-2.1 -2,-0.4 2,-0.4 -0.936 59.7 -76.5-177.8-161.4 -6.9 -28.2 24.8 11 11 A T E -G 16 0B 93 -2,-0.3 2,-0.5 5,-0.3 5,-0.2 -0.996 36.2-175.4-129.2 126.8 -5.6 -26.7 21.7 12 12 A H E > S-G 15 0B 33 3,-3.3 3,-2.2 -2,-0.4 19,-0.1 -0.981 70.5 -22.5-128.6 119.3 -6.9 -23.4 20.3 13 13 A D T 3 S- 0 0 105 -2,-0.5 20,-0.1 1,-0.3 -1,-0.1 0.874 129.7 -46.0 50.8 45.0 -5.8 -21.9 17.0 14 14 A G T 3 S+ 0 0 37 1,-0.2 2,-0.4 20,-0.0 -1,-0.3 0.157 119.0 106.1 89.0 -19.0 -2.5 -23.9 17.2 15 15 A Y E < -G 12 0B 8 -3,-2.2 -3,-3.3 18,-0.3 2,-0.6 -0.781 70.0-126.6-102.0 139.2 -1.8 -23.1 20.8 16 16 A D E -GH 11 51B 18 35,-2.9 35,-2.4 -2,-0.4 2,-0.3 -0.696 37.8-172.3 -80.5 120.4 -2.1 -25.4 23.8 17 17 A Y E +GH 10 50B 20 -7,-2.1 -7,-2.1 -2,-0.6 2,-0.3 -0.787 12.4 179.4-115.2 158.8 -4.2 -23.7 26.3 18 18 A E E -GH 9 49B 28 31,-1.9 31,-1.7 -2,-0.3 2,-0.5 -0.948 16.7-163.8-160.2 137.2 -5.2 -24.4 29.8 19 19 A L E +GH 8 48B 0 -11,-2.3 -11,-2.0 -2,-0.3 2,-0.4 -0.995 25.7 172.1-118.9 121.5 -7.3 -22.9 32.6 20 20 A W E + H 0 47B 78 27,-2.9 27,-3.1 -2,-0.5 2,-0.3 -0.996 9.7 154.4-135.6 143.2 -6.6 -24.3 36.0 21 21 A K E - H 0 46B 39 -2,-0.4 25,-0.2 25,-0.3 -14,-0.2 -0.963 38.4-144.0-159.5 146.0 -7.7 -23.4 39.5 22 22 A D S S- 0 0 94 23,-1.8 2,-0.3 1,-0.4 24,-0.1 0.759 88.0 -27.0 -83.8 -23.7 -8.0 -25.4 42.6 23 23 A S S S+ 0 0 68 22,-0.5 21,-1.6 -3,-0.1 -1,-0.4 -0.933 93.1 64.9-179.7 155.9 -11.1 -23.2 43.4 24 24 A G S S- 0 0 19 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.488 80.7 -40.0 114.3 176.3 -12.7 -19.8 42.8 25 25 A N E + B 0 41A 89 16,-2.2 16,-1.9 -2,-0.2 2,-0.4 -0.712 60.7 168.6 -85.7 123.0 -14.1 -17.7 40.0 26 26 A T E - B 0 40A 8 -2,-0.5 2,-0.4 -21,-0.5 14,-0.2 -0.998 14.8-177.9-139.0 136.1 -12.2 -17.9 36.8 27 27 A S E - B 0 39A 45 12,-2.5 12,-1.9 -2,-0.4 2,-0.4 -0.999 3.8-178.7-134.2 133.4 -12.9 -16.8 33.3 28 28 A M E -AB 4 38A 0 -24,-2.6 -24,-2.9 -2,-0.4 2,-0.6 -0.993 10.9-159.1-135.5 126.6 -10.6 -17.3 30.3 29 29 A T E -AB 3 37A 31 8,-1.9 8,-2.1 -2,-0.4 2,-0.6 -0.930 13.5-144.5-108.2 123.3 -11.3 -16.1 26.8 30 30 A L E +AB 2 36A 1 -28,-3.3 -28,-1.1 -2,-0.6 6,-0.2 -0.785 26.8 175.9 -89.9 116.8 -9.4 -17.9 24.0 31 31 A N - 0 0 49 4,-2.0 4,-0.1 -2,-0.6 -19,-0.0 -0.425 39.7 -47.5-109.6-174.6 -8.4 -15.5 21.2 32 32 A S S > S- 0 0 92 -2,-0.1 3,-2.4 2,-0.1 -1,-0.2 -0.186 102.9 -24.1 -58.2 143.6 -6.4 -15.8 17.9 33 33 A G T 3 S- 0 0 22 1,-0.3 -18,-0.3 -20,-0.1 -21,-0.1 -0.292 132.9 -18.2 56.3-128.8 -3.0 -17.6 18.0 34 34 A G T 3 S+ 0 0 3 162,-0.6 -1,-0.3 -20,-0.1 2,-0.2 0.345 107.3 122.3 -91.0 8.1 -1.5 -17.5 21.5 35 35 A A < + 0 0 10 -3,-2.4 -4,-2.0 159,-0.2 2,-0.3 -0.445 28.8 144.7 -75.1 141.4 -3.8 -14.6 22.5 36 36 A F E -BC 30 193A 1 157,-1.5 157,-2.8 -6,-0.2 2,-0.3 -0.972 29.1-148.7-164.9 162.4 -6.1 -15.0 25.5 37 37 A S E -BC 29 192A 29 -8,-2.1 -8,-1.9 -2,-0.3 2,-0.3 -0.891 15.8-177.6-134.5 166.2 -7.5 -13.0 28.3 38 38 A A E -BC 28 191A 8 153,-2.6 153,-2.5 -2,-0.3 2,-0.3 -0.988 15.4-170.5-165.0 155.6 -8.5 -13.8 31.9 39 39 A Q E +BC 27 190A 123 -12,-1.9 -12,-2.5 -2,-0.3 2,-0.3 -0.981 15.2 176.7-147.6 144.1 -10.1 -12.6 35.1 40 40 A W E +BC 26 189A 2 149,-2.4 149,-0.8 -2,-0.3 2,-0.3 -0.991 6.4 167.9-151.3 154.0 -10.2 -14.3 38.5 41 41 A S E +B 25 0A 36 -16,-1.9 -16,-2.2 -2,-0.3 147,-0.2 -0.968 64.2 27.2-161.1 159.7 -11.4 -13.6 42.1 42 42 A N S S+ 0 0 64 -2,-0.3 2,-0.2 -18,-0.2 146,-0.1 0.888 89.1 152.3 48.4 45.2 -12.0 -15.6 45.3 43 43 A I - 0 0 4 144,-0.6 -19,-0.2 -19,-0.2 -1,-0.2 -0.542 49.5-157.0-103.1 169.0 -9.4 -18.1 44.1 44 44 A G S S- 0 0 14 -21,-1.6 142,-1.3 1,-0.4 2,-0.4 0.740 84.8 -21.7 -99.8 -76.3 -7.0 -20.5 45.8 45 45 A N E S- I 0 185B 45 140,-0.2 -23,-1.8 -22,-0.2 -22,-0.5 -0.998 72.7-179.0-136.6 134.9 -4.5 -20.9 43.0 46 46 A A E -HI 21 184B 0 138,-2.7 138,-2.7 -2,-0.4 2,-0.4 -0.992 9.0-174.2-144.4 136.5 -5.2 -20.2 39.4 47 47 A L E -HI 20 183B 4 -27,-3.1 -27,-2.9 -2,-0.4 2,-0.4 -0.983 2.1-176.3-131.0 139.4 -3.3 -20.4 36.1 48 48 A F E +HI 19 182B 0 134,-2.5 134,-2.5 -2,-0.4 2,-0.3 -0.995 24.0 148.4-130.8 133.7 -4.2 -19.3 32.6 49 49 A R E -HI 18 181B 10 -31,-1.7 -31,-1.9 -2,-0.4 2,-0.3 -0.998 34.0-157.9-166.6 162.7 -1.9 -19.9 29.6 50 50 A K E +HI 17 180B 0 130,-1.4 130,-1.1 -2,-0.3 -33,-0.2 -0.982 48.6 90.7-144.9 130.2 -1.3 -20.7 26.0 51 51 A G E S-HI 16 179B 0 -35,-2.4 -35,-2.9 -2,-0.3 2,-0.4 -0.733 74.6 -35.8-177.5-130.2 1.9 -22.2 24.6 52 52 A K E - I 0 178B 71 126,-2.5 126,-1.9 -2,-0.2 2,-0.6 -0.979 32.8-159.4-131.1 127.1 3.1 -25.7 23.8 53 53 A K E - I 0 177B 35 -2,-0.4 124,-0.3 124,-0.2 2,-0.1 -0.909 24.5-160.4 -99.9 118.8 2.6 -28.9 25.7 54 54 A F - 0 0 25 122,-1.9 122,-0.0 -2,-0.6 120,-0.0 -0.294 27.0-112.3 -91.3-179.0 5.3 -31.3 24.7 55 55 A D - 0 0 134 -2,-0.1 121,-0.2 122,-0.0 -1,-0.1 0.433 42.2-120.9 -94.7 -1.0 5.5 -35.1 24.9 56 56 A S S S+ 0 0 22 119,-1.5 118,-0.2 2,-0.1 120,-0.1 0.872 87.5 107.2 63.2 37.2 8.2 -35.2 27.6 57 57 A T + 0 0 88 118,-0.3 2,-0.4 1,-0.1 119,-0.1 0.460 69.1 55.6-120.2 -7.7 10.4 -37.2 25.2 58 58 A K S S- 0 0 104 117,-0.4 117,-2.8 115,-0.0 -2,-0.1 -0.963 72.3-130.3-131.9 146.4 12.9 -34.5 24.3 59 59 A T >> - 0 0 43 -2,-0.4 3,-1.2 115,-0.3 4,-1.0 -0.474 39.8-104.4 -82.9 162.3 15.3 -32.3 26.2 60 60 A H H >> S+ 0 0 11 113,-0.5 4,-1.6 1,-0.3 3,-0.5 0.854 122.2 57.5 -58.0 -34.7 15.1 -28.6 25.3 61 61 A S H 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.776 105.7 50.7 -66.7 -25.8 18.4 -28.9 23.4 62 62 A Q H <4 S+ 0 0 119 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.682 108.5 52.4 -84.3 -18.6 16.8 -31.6 21.2 63 63 A L H << S- 0 0 35 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.766 109.1-126.5 -85.5 -29.3 13.8 -29.3 20.6 64 64 A G < - 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