==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-99 1C5H . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR M.D.JOSHI,G.SIDHU,I.POT,G.D.BRAYER,S.G.WITHERS,L.P.MCINTOSH . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 47.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 23 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 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 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 3 1 3 1 1 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 1 0 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 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 84 0, 0.0 2,-0.5 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 162.3 33.6 42.8 21.5 2 2 A S - 0 0 111 183,-0.1 2,-0.2 2,-0.0 183,-0.1 -0.683 360.0-137.3 -85.5 127.1 36.4 43.1 24.1 3 3 A T - 0 0 27 -2,-0.5 39,-0.2 181,-0.3 3,-0.1 -0.527 19.6-177.1 -75.7 149.4 36.7 40.2 26.4 4 4 A D + 0 0 100 37,-2.2 2,-0.4 -2,-0.2 38,-0.2 0.282 56.2 76.0-131.1 8.0 37.3 41.1 30.0 5 5 A Y E -A 41 0A 66 36,-1.9 36,-2.1 162,-0.1 2,-0.5 -0.977 52.7-165.2-129.1 136.5 37.7 37.7 31.7 6 6 A W E -A 40 0A 69 -2,-0.4 2,-0.6 34,-0.2 34,-0.2 -0.976 9.6-162.7-119.7 115.4 40.5 35.2 31.7 7 7 A Q E +A 39 0A 16 32,-3.2 32,-2.4 -2,-0.5 2,-0.2 -0.882 21.1 157.0-101.8 122.8 39.7 31.7 32.8 8 8 A N E +A 38 0A 77 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.653 12.8 154.6-147.0 83.9 42.7 29.5 33.8 9 9 A W E +A 37 0A 91 28,-2.7 28,-2.7 -2,-0.2 2,-0.3 -0.931 8.6 166.9-119.0 138.8 41.8 26.6 36.2 10 10 A T E -A 36 0A 55 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.989 39.0-134.8-144.6 146.4 43.5 23.3 36.7 11 11 A D - 0 0 85 24,-2.3 25,-0.1 -2,-0.3 -2,-0.0 0.411 61.4-101.1 -81.9 4.5 43.3 20.6 39.3 12 12 A G S S+ 0 0 62 1,-0.3 2,-0.3 23,-0.2 24,-0.1 0.315 78.8 134.6 97.3 -7.1 47.1 20.5 39.4 13 13 A G - 0 0 24 22,-0.3 21,-1.0 2,-0.1 -1,-0.3 -0.591 64.5 -30.5 -83.7 134.1 47.6 17.4 37.3 14 14 A G S S- 0 0 44 -2,-0.3 2,-0.5 19,-0.3 18,-0.2 -0.136 99.5 -34.2 64.7-157.4 50.1 17.3 34.5 15 15 A I E +H 31 0B 106 16,-2.4 16,-2.1 2,-0.0 2,-0.4 -0.891 48.9 174.9-109.0 127.4 51.2 20.2 32.4 16 16 A V E -H 30 0B 34 -2,-0.5 2,-1.1 14,-0.2 14,-0.2 -0.882 6.4-173.6-130.5 96.9 48.9 23.1 31.4 17 17 A N E +H 29 0B 79 12,-3.3 12,-1.6 -2,-0.4 2,-0.5 -0.758 13.2 178.6 -94.5 89.3 50.7 25.8 29.5 18 18 A A E -H 28 0B 23 -2,-1.1 2,-0.5 10,-0.2 10,-0.2 -0.809 11.2-160.1 -96.1 128.8 48.0 28.5 29.1 19 19 A V E -H 27 0B 62 8,-3.0 8,-1.6 -2,-0.5 2,-1.2 -0.934 12.4-146.6-115.1 120.9 49.0 31.8 27.4 20 20 A N E -H 26 0B 91 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.730 34.1-168.6 -81.5 96.5 46.9 34.9 27.9 21 21 A G - 0 0 20 4,-1.2 2,-0.1 -2,-1.2 5,-0.0 -0.025 29.0 -63.8 -80.6-173.9 47.4 36.5 24.4 22 22 A S S > S- 0 0 105 2,-0.1 3,-2.3 4,-0.0 -1,-0.2 -0.413 99.2 -24.8 -70.4 144.6 46.6 39.9 23.0 23 23 A G T 3 S- 0 0 65 1,-0.3 162,-0.1 -2,-0.1 -21,-0.0 -0.275 132.8 -17.0 55.9-126.9 43.0 40.9 22.8 24 24 A G T 3 S+ 0 0 13 16,-0.1 160,-2.7 160,-0.1 2,-0.3 0.179 108.9 113.1 -97.8 18.9 40.7 37.9 22.7 25 25 A N E < + I 0 183B 37 -3,-2.3 -4,-1.2 158,-0.3 2,-0.3 -0.666 33.9 159.2 -95.5 144.3 43.4 35.4 21.8 26 26 A Y E -HI 20 182B 0 156,-2.2 156,-2.4 -2,-0.3 2,-0.3 -0.982 18.0-157.4-154.6 156.6 44.7 32.6 23.9 27 27 A S E -HI 19 181B 22 -8,-1.6 -8,-3.0 -2,-0.3 2,-0.4 -0.963 2.5-161.6-138.0 156.1 46.6 29.4 23.5 28 28 A V E -HI 18 180B 0 152,-2.7 152,-1.9 -2,-0.3 2,-0.5 -0.992 8.4-174.5-143.9 131.7 47.0 26.2 25.5 29 29 A N E +HI 17 179B 72 -12,-1.6 -12,-3.3 -2,-0.4 2,-0.3 -0.997 22.8 171.5-118.7 120.6 49.5 23.3 25.4 30 30 A W E +HI 16 178B 7 148,-2.5 148,-2.5 -2,-0.5 2,-0.3 -0.936 13.5 178.6-134.4 157.1 48.6 20.4 27.7 31 31 A S E -H 15 0B 42 -16,-2.1 -16,-2.4 -2,-0.3 146,-0.3 -0.938 66.6 -8.5-159.6 134.4 49.8 16.9 28.5 32 32 A N S S+ 0 0 132 -2,-0.3 145,-0.2 -18,-0.2 2,-0.1 0.889 88.6 164.2 45.9 54.4 48.9 14.1 30.9 33 33 A T - 0 0 8 143,-1.6 -19,-0.3 1,-0.2 -1,-0.1 -0.251 41.3-140.6 -93.1 177.1 46.6 16.4 32.8 34 34 A G S S- 0 0 10 -21,-1.0 141,-1.9 1,-0.2 2,-0.4 0.251 71.5 -36.2-102.7-126.6 43.8 15.9 35.3 35 35 A D E S+ B 0 174A 22 139,-0.2 -24,-2.3 140,-0.1 2,-0.3 -0.808 70.3 163.0-103.3 143.6 40.9 18.3 34.6 36 36 A F E -AB 10 173A 0 137,-1.6 137,-1.7 -2,-0.4 2,-0.4 -0.991 22.4-159.5-155.2 153.1 41.4 21.9 33.4 37 37 A V E +AB 9 172A 3 -28,-2.7 -28,-2.7 -2,-0.3 2,-0.4 -0.972 15.4 172.5-139.6 121.6 39.5 24.7 31.8 38 38 A V E +AB 8 171A 0 133,-2.2 133,-2.9 -2,-0.4 2,-0.3 -0.988 19.0 115.2-130.6 139.1 41.0 27.6 30.0 39 39 A G E -AB 7 170A 0 -32,-2.4 -32,-3.2 -2,-0.4 2,-0.4 -0.981 46.9-109.1 176.8 172.7 39.4 30.4 28.0 40 40 A K E +AB 6 169A 7 129,-1.1 129,-2.4 -2,-0.3 2,-0.2 -0.936 52.4 99.7-123.3 146.1 38.5 34.0 27.4 41 41 A G E -AB 5 168A 0 -36,-2.1 -37,-2.2 -2,-0.4 -36,-1.9 -0.770 63.6 -28.4-178.3-133.0 35.2 35.7 27.7 42 42 A W E - B 0 167A 10 125,-3.0 125,-2.4 -2,-0.2 3,-0.1 -0.915 32.4-137.8-124.2 142.8 33.1 37.9 29.9 43 43 A T S S+ 0 0 67 -2,-0.4 2,-0.5 123,-0.2 -1,-0.1 0.832 100.8 40.0 -62.1 -35.7 33.0 38.3 33.7 44 44 A T S S- 0 0 91 122,-0.1 122,-0.2 123,-0.1 -1,-0.2 -0.961 85.1-143.0-121.7 115.4 29.3 38.4 33.6 45 45 A G - 0 0 6 120,-2.8 119,-0.1 -2,-0.5 121,-0.1 -0.277 12.7-158.9 -72.0 162.1 27.4 36.1 31.3 46 46 A S > - 0 0 33 1,-0.1 3,-1.0 -4,-0.0 100,-0.1 -0.999 23.9-141.1-143.6 139.3 24.3 37.0 29.4 47 47 A P T 3 S+ 0 0 31 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.601 105.9 52.8 -74.5 -8.2 21.5 35.0 27.8 48 48 A F T 3 S+ 0 0 162 98,-0.1 99,-0.1 99,-0.1 2,-0.1 0.378 82.4 121.0-106.0 3.3 21.4 37.4 24.9 49 49 A R < - 0 0 60 -3,-1.0 97,-1.0 97,-0.1 2,-0.5 -0.375 50.4-151.0 -74.7 145.4 25.1 37.3 24.0 50 50 A T E -J 145 0B 67 95,-0.2 2,-0.4 96,-0.1 95,-0.2 -0.977 16.8-152.7-112.2 114.4 26.4 36.3 20.6 51 51 A I E -J 144 0B 0 93,-2.4 93,-2.8 -2,-0.5 2,-0.4 -0.774 9.4-167.7 -97.3 132.3 29.8 34.7 20.8 52 52 A N E +J 143 0B 40 133,-2.6 133,-2.4 -2,-0.4 2,-0.3 -0.913 15.8 160.9-113.9 142.5 32.3 34.8 18.0 53 53 A Y E -JK 142 184B 2 89,-2.5 89,-3.5 -2,-0.4 2,-0.3 -0.992 28.6-155.6-157.3 161.2 35.4 32.8 17.8 54 54 A N E - K 0 183B 36 129,-1.8 129,-1.7 -2,-0.3 2,-1.2 -0.913 10.9-156.0-141.5 109.3 38.1 31.4 15.6 55 55 A A E + K 0 182B 0 85,-0.5 84,-0.8 -2,-0.3 127,-0.3 -0.756 13.4 178.3 -88.4 95.3 40.0 28.3 16.6 56 56 A G E S+ 0 0 51 -2,-1.2 2,-0.4 125,-1.1 -1,-0.2 0.827 77.0 27.7 -64.2 -32.6 43.3 28.7 14.6 57 57 A V E + K 0 181B 63 124,-1.8 124,-2.5 -3,-0.2 2,-0.3 -0.991 60.1 163.4-136.3 124.9 44.4 25.5 16.2 58 58 A W E + K 0 180B 35 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.790 19.4 144.1-138.9 92.9 42.3 22.6 17.5 59 59 A A E + K 0 179B 48 120,-2.9 120,-1.3 -2,-0.3 2,-0.3 -0.565 16.8 173.5-132.8 68.3 44.5 19.5 18.0 60 60 A P E - K 0 178B 24 0, 0.0 2,-0.3 0, 0.0 118,-0.3 -0.612 20.4-158.1 -80.8 140.6 43.4 17.5 21.0 61 61 A N E S- K 0 177B 131 116,-3.3 116,-0.6 -2,-0.3 2,-0.3 -0.542 76.0 -16.9-107.0 57.7 45.2 14.1 21.5 62 62 A G S S+ 0 0 12 -2,-0.3 25,-1.5 114,-0.2 2,-0.6 -0.991 120.4 5.0 145.0-149.6 42.5 12.6 23.6 63 63 A N S S+ 0 0 30 111,-0.4 111,-1.9 -2,-0.3 2,-0.3 -0.597 75.9 133.2 -77.0 113.4 39.5 13.9 25.6 64 64 A G E -C 173 0A 0 -2,-0.6 22,-1.4 109,-0.2 2,-0.4 -0.973 37.2-147.0-158.1 146.3 39.1 17.7 25.1 65 65 A Y E -CD 172 85A 24 107,-3.0 107,-2.3 -2,-0.3 2,-0.7 -0.955 9.7-156.0-124.4 138.5 36.3 20.0 24.3 66 66 A L E +CD 171 84A 0 18,-2.5 17,-2.1 -2,-0.4 18,-1.4 -0.942 50.0 142.7-101.2 104.3 36.0 23.3 22.4 67 67 A T E -CD 170 82A 0 103,-2.4 103,-2.9 -2,-0.7 2,-0.3 -0.990 61.2-107.3-153.1 149.8 33.0 24.8 24.0 68 68 A L E -CD 169 81A 0 13,-2.5 13,-1.7 -2,-0.3 2,-0.4 -0.618 49.4-170.5 -68.7 137.0 31.2 27.8 25.3 69 69 A Y E +CD 168 80A 10 99,-3.3 99,-3.1 -2,-0.3 2,-0.3 -0.997 16.3 134.6-142.0 137.4 31.4 27.5 29.0 70 70 A G E -CD 167 79A 0 9,-1.7 9,-2.5 -2,-0.4 2,-0.3 -0.978 30.6-128.9-165.7 176.8 29.8 29.2 31.9 71 71 A W E - 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