==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSIDE HYDROLASE 11-MAY-01 1H4G . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AGARADHAERENS; . AUTHOR E.SABINI,K.S.WILSON,S.DANIELSEN,M.SCHULEIN,G.J.DAVIES . 413 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 74.6 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 . 201 48.7 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 . 2 0.5 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 . 41 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.8 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 4 0 2 6 4 0 2 4 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 0 0 0 0 1 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 X 0 0 120 0, 0.0 29,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 9.2 12.2 12.3 29.9 2 2 A I E -A 29 0A 116 27,-0.2 2,-0.5 25,-0.0 27,-0.2 -0.894 360.0-172.3 -96.9 126.3 8.5 12.3 31.4 3 3 A V E +A 28 0A 12 25,-3.0 25,-3.0 -2,-0.5 4,-0.1 -0.969 24.2 153.9-128.8 118.4 6.6 15.3 30.4 4 4 A T + 0 0 83 -2,-0.5 22,-0.4 23,-0.2 2,-0.3 0.199 66.2 40.3-128.1 14.5 3.2 16.1 31.8 5 5 A D S S- 0 0 110 23,-0.1 13,-0.1 20,-0.1 23,-0.1 -0.951 107.2 -51.3-154.1 170.0 3.1 19.9 31.5 6 6 A N S S+ 0 0 79 -2,-0.3 2,-0.3 14,-0.1 13,-0.2 -0.115 70.1 153.5 -51.5 129.0 4.1 22.5 29.0 7 7 A S E -B 18 0A 38 11,-2.0 11,-2.4 -4,-0.1 2,-0.4 -0.976 29.4-165.7-161.6 143.7 7.7 22.0 28.0 8 8 A I E +B 17 0A 105 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 35.1 116.2-132.4 133.8 10.0 22.7 25.1 9 9 A G E -B 16 0A 22 7,-2.0 7,-2.3 -2,-0.4 2,-0.4 -0.940 58.1 -87.4-171.6-168.7 13.4 21.1 24.7 10 10 A N E -B 15 0A 93 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.983 33.9-178.5-125.5 129.7 15.7 18.8 22.7 11 11 A H E > S-B 14 0A 49 3,-2.9 3,-2.3 -2,-0.4 20,-0.1 -0.991 72.2 -19.4-136.6 115.4 15.7 15.0 23.3 12 12 A D T 3 S- 0 0 106 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.814 129.3 -49.1 54.0 42.8 18.0 12.7 21.4 13 13 A G T 3 S+ 0 0 39 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.188 117.2 107.5 87.4 -12.1 18.5 15.3 18.7 14 14 A Y E < S-B 11 0A 9 -3,-2.3 -3,-2.9 19,-0.3 2,-0.7 -0.808 70.5-126.7-100.9 139.8 14.8 16.1 18.2 15 15 A D E -BC 10 51A 25 36,-2.7 36,-2.5 -2,-0.4 2,-0.3 -0.687 36.8-168.8 -78.3 114.4 13.1 19.3 19.3 16 16 A Y E -BC 9 50A 30 -7,-2.3 -7,-2.0 -2,-0.7 2,-0.3 -0.777 9.7-175.2-106.1 156.0 10.1 18.1 21.4 17 17 A E E -BC 8 49A 16 32,-2.2 32,-2.2 -2,-0.3 2,-0.4 -0.969 15.7-166.8-151.1 139.5 7.2 20.0 22.7 18 18 A F E +BC 7 48A 1 -11,-2.4 -11,-2.0 -2,-0.3 2,-0.4 -0.989 22.4 172.7-114.3 129.3 4.2 19.3 25.0 19 19 A W E + C 0 47A 59 28,-2.4 28,-2.9 -2,-0.4 2,-0.3 -0.987 5.4 153.4-140.7 130.4 1.6 22.1 24.9 20 20 A K E - C 0 46A 25 -2,-0.4 26,-0.2 26,-0.2 -14,-0.1 -0.971 32.8-131.5-144.6 159.2 -1.9 22.2 26.4 21 21 A D - 0 0 46 24,-1.6 23,-0.2 -2,-0.3 -15,-0.0 -0.285 59.4 -55.9 -91.2-178.6 -4.4 24.8 27.6 22 22 A S S S+ 0 0 97 -2,-0.1 22,-0.2 21,-0.1 -1,-0.2 -0.341 96.0 44.0 -68.3 150.1 -6.0 24.4 31.0 23 23 A G S S+ 0 0 34 1,-0.3 21,-0.6 20,-0.1 22,-0.1 0.233 85.9 27.5 101.1 148.2 -8.0 21.3 32.1 24 24 A G S S- 0 0 44 19,-0.2 2,-0.3 20,-0.1 -1,-0.3 -0.128 78.7 -95.3 63.9-163.8 -7.6 17.6 31.8 25 25 A S E - D 0 41A 62 16,-2.5 16,-2.8 -3,-0.1 2,-0.3 -0.973 27.3-170.3-150.5 157.7 -4.2 15.9 31.6 26 26 A G E - D 0 40A 4 -22,-0.4 2,-0.4 -2,-0.3 14,-0.2 -0.988 6.8-158.4-150.4 156.0 -1.6 14.5 29.3 27 27 A T E - D 0 39A 55 12,-2.4 12,-1.9 -2,-0.3 2,-0.4 -0.992 6.9-172.9-136.3 129.0 1.6 12.4 29.6 28 28 A M E -AD 3 38A 0 -25,-3.0 -25,-3.0 -2,-0.4 2,-0.6 -0.966 7.9-159.6-121.6 126.6 4.3 12.3 27.0 29 29 A I E -AD 2 37A 69 8,-2.2 8,-1.9 -2,-0.4 2,-0.6 -0.965 16.3-138.5-107.0 121.8 7.2 9.9 27.3 30 30 A L E + D 0 36A 9 -29,-2.6 6,-0.2 -2,-0.6 2,-0.1 -0.719 29.6 179.4 -84.4 117.0 10.3 10.9 25.3 31 31 A N - 0 0 60 4,-1.9 4,-0.1 -2,-0.6 -20,-0.0 -0.402 39.1 -46.2-109.9-177.3 11.8 7.8 23.6 32 32 A H S > S- 0 0 134 -2,-0.1 3,-2.4 2,-0.1 -1,-0.2 -0.174 101.4 -26.2 -60.0 147.5 14.7 7.3 21.3 33 33 A G T 3 S- 0 0 17 1,-0.3 -19,-0.3 -3,-0.1 -22,-0.1 -0.308 131.6 -15.0 57.6-130.2 15.3 9.6 18.4 34 34 A G T 3 S+ 0 0 4 163,-0.6 -1,-0.3 -21,-0.1 162,-0.1 0.400 111.0 112.8 -86.6 4.8 12.1 11.1 17.1 35 35 A T < + 0 0 9 -3,-2.4 -4,-1.9 160,-0.1 2,-0.3 -0.364 31.7 147.5 -89.0 157.4 9.9 8.6 19.0 36 36 A F E -DE 30 194A 0 158,-1.6 158,-2.5 -6,-0.2 2,-0.3 -0.955 33.8-128.8-168.4 161.1 7.5 9.2 21.9 37 37 A S E -DE 29 193A 28 -8,-1.9 -8,-2.2 -2,-0.3 2,-0.3 -0.869 22.4-165.4-119.4 156.9 4.3 8.0 23.4 38 38 A A E +DE 28 192A 4 154,-2.8 154,-2.5 -2,-0.3 2,-0.3 -0.997 11.8 179.2-141.0 146.8 1.4 10.2 24.4 39 39 A Q E -DE 27 191A 127 -12,-1.9 -12,-2.4 -2,-0.3 2,-0.3 -0.993 10.0-179.6-142.4 141.0 -1.7 9.7 26.5 40 40 A W E -DE 26 190A 4 150,-2.6 150,-2.4 -2,-0.3 2,-0.4 -0.991 7.2-168.6-143.6 154.1 -4.4 12.4 27.2 41 41 A N E -D 25 0A 75 -16,-2.8 -16,-2.5 -2,-0.3 148,-0.2 -0.971 66.7 -17.3-150.3 125.4 -7.6 12.6 29.2 42 42 A N S S+ 0 0 82 -2,-0.4 147,-0.2 -18,-0.2 2,-0.1 0.807 85.4 160.5 57.7 35.0 -10.4 15.1 29.3 43 43 A V - 0 0 0 145,-1.7 145,-0.3 1,-0.2 -19,-0.2 -0.409 44.5-148.7 -81.0 166.1 -8.3 17.9 27.7 44 44 A N S S- 0 0 38 -21,-0.6 143,-2.4 1,-0.3 2,-0.4 0.835 86.8 -16.6 -87.8 -67.0 -9.5 21.0 26.0 45 45 A N E S+ F 0 186A 12 141,-0.2 -24,-1.6 -23,-0.2 2,-0.3 -0.990 70.9 169.6-141.5 134.0 -6.6 21.1 23.5 46 46 A I E -CF 20 185A 0 139,-2.3 139,-2.6 -2,-0.4 2,-0.4 -0.996 10.0-169.1-138.9 144.6 -3.2 19.2 23.7 47 47 A L E -CF 19 184A 3 -28,-2.9 -28,-2.4 -2,-0.3 2,-0.4 -1.000 1.8-172.4-134.3 139.3 -0.4 18.7 21.2 48 48 A F E +CF 18 183A 0 135,-2.5 135,-2.6 -2,-0.4 2,-0.3 -0.995 21.7 160.1-123.5 136.0 2.6 16.4 21.5 49 49 A R E -CF 17 182A 4 -32,-2.2 -32,-2.2 -2,-0.4 2,-0.3 -0.998 29.6-167.5-159.0 155.8 5.4 16.6 18.9 50 50 A K E +CF 16 181A 0 131,-1.9 131,-1.4 -2,-0.3 -34,-0.2 -0.977 46.2 95.1-140.7 127.2 9.0 15.8 18.0 51 51 A G E S-CF 15 180A 0 -36,-2.5 -36,-2.7 -2,-0.3 2,-0.4 -0.692 72.2 -46.3-171.6-136.6 10.7 17.4 15.0 52 52 A K E - F 0 179A 73 127,-2.8 127,-2.0 -2,-0.2 2,-0.4 -0.992 34.1-156.5-128.4 130.5 13.0 20.3 14.2 53 53 A K E - 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