==== 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 05-JAN-01 1HV0 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR M.D.JOSHI,G.SIDHU,J.E.NIELSEN,G.D.BRAYER,S.G.WITHERS, . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 77.8 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 . 86 46.5 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 . 24 13.0 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 2 2 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 81 0, 0.0 2,-0.4 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 151.7 33.5 42.8 21.4 2 2 A S - 0 0 111 183,-0.2 2,-0.2 2,-0.0 183,-0.1 -0.633 360.0-134.1 -80.5 129.1 36.4 43.1 23.8 3 3 A T - 0 0 21 -2,-0.4 39,-0.2 181,-0.3 3,-0.1 -0.526 20.6-176.7 -79.4 150.9 36.7 40.2 26.3 4 4 A D + 0 0 100 37,-2.1 2,-0.4 -2,-0.2 38,-0.2 0.250 56.8 74.5-131.9 10.3 37.3 41.2 30.0 5 5 A Y E -A 41 0A 69 36,-1.9 36,-2.2 162,-0.1 2,-0.5 -0.988 52.5-164.8-133.5 137.2 37.7 37.8 31.6 6 6 A W E -A 40 0A 66 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.977 9.1-163.8-120.7 116.9 40.5 35.2 31.6 7 7 A Q E +A 39 0A 17 32,-3.4 32,-2.5 -2,-0.5 2,-0.2 -0.897 20.4 156.8-104.1 123.4 39.7 31.7 32.8 8 8 A N E +A 38 0A 75 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.648 12.6 155.2-148.2 84.8 42.6 29.5 33.8 9 9 A W E +A 37 0A 93 28,-2.8 28,-2.7 -2,-0.2 2,-0.3 -0.929 8.9 168.5-118.9 139.2 41.8 26.6 36.1 10 10 A T E -A 36 0A 56 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.992 37.9-136.1-143.9 144.1 43.6 23.3 36.6 11 11 A D - 0 0 86 24,-2.3 25,-0.1 -2,-0.3 -2,-0.0 0.398 61.8-101.1 -80.7 6.0 43.2 20.7 39.3 12 12 A G S S+ 0 0 61 1,-0.3 2,-0.3 23,-0.2 24,-0.1 0.339 77.8 136.8 95.7 -6.1 47.0 20.5 39.3 13 13 A G - 0 0 23 22,-0.3 21,-1.0 2,-0.1 -1,-0.3 -0.580 64.6 -32.5 -82.1 135.3 47.5 17.4 37.2 14 14 A G S S- 0 0 49 -2,-0.3 2,-0.5 19,-0.3 18,-0.2 -0.120 100.1 -33.8 61.4-154.9 50.1 17.3 34.5 15 15 A I E +H 31 0B 108 16,-2.4 16,-2.3 2,-0.0 2,-0.4 -0.898 48.6 175.0-111.0 129.1 51.2 20.2 32.4 16 16 A V E -H 30 0B 31 -2,-0.5 2,-1.1 14,-0.2 14,-0.2 -0.861 7.4-172.2-131.4 94.7 48.9 23.1 31.3 17 17 A N E -H 29 0B 80 12,-3.3 12,-1.8 -2,-0.4 2,-0.5 -0.754 13.2-179.2 -91.6 93.3 50.7 25.8 29.5 18 18 A A E -H 28 0B 24 -2,-1.1 2,-0.5 10,-0.2 10,-0.2 -0.827 10.1-160.5 -98.5 128.7 48.1 28.5 29.2 19 19 A V E -H 27 0B 61 8,-3.0 8,-1.7 -2,-0.5 2,-1.2 -0.937 11.8-148.7-114.6 122.3 49.0 31.8 27.4 20 20 A N E -H 26 0B 89 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.741 32.7-169.4 -86.0 92.8 46.9 34.9 27.8 21 21 A G - 0 0 21 -2,-1.2 2,-0.1 4,-1.0 5,-0.0 0.048 29.5 -65.4 -76.4-173.4 47.4 36.5 24.4 22 22 A S S > S- 0 0 106 2,-0.1 3,-2.2 4,-0.0 -1,-0.2 -0.434 99.5 -20.1 -73.2 148.1 46.6 39.9 23.0 23 23 A G T 3 S- 0 0 61 1,-0.3 162,-0.1 -2,-0.1 -21,-0.0 -0.278 132.7 -20.2 56.6-130.2 43.0 40.9 22.7 24 24 A G T 3 S+ 0 0 12 160,-0.1 160,-2.5 16,-0.1 2,-0.3 0.171 108.5 115.3 -96.9 19.0 40.7 37.9 22.8 25 25 A N E < + I 0 183B 39 -3,-2.2 -4,-1.0 158,-0.3 2,-0.3 -0.668 33.0 159.1 -93.6 143.8 43.4 35.5 21.8 26 26 A Y E -HI 20 182B 0 156,-2.3 156,-2.5 -2,-0.3 2,-0.3 -0.983 17.6-159.0-154.3 156.3 44.7 32.6 23.9 27 27 A S E -HI 19 181B 22 -8,-1.7 -8,-3.0 -2,-0.3 2,-0.4 -0.965 2.1-161.0-139.0 156.7 46.6 29.4 23.5 28 28 A V E -HI 18 180B 0 152,-2.6 152,-2.1 -2,-0.3 2,-0.5 -0.995 9.0-173.4-144.2 134.7 47.0 26.2 25.5 29 29 A N E +HI 17 179B 70 -12,-1.8 -12,-3.3 -2,-0.4 2,-0.3 -0.997 22.5 175.3-120.7 119.4 49.5 23.4 25.4 30 30 A W E -HI 16 178B 7 148,-2.5 148,-2.5 -2,-0.5 2,-0.3 -0.944 12.6-178.9-131.6 154.1 48.6 20.5 27.7 31 31 A S E -H 15 0B 38 -16,-2.3 -16,-2.4 -2,-0.3 146,-0.2 -0.953 66.7 -14.4-155.2 130.0 50.0 17.0 28.5 32 32 A N S S+ 0 0 125 -2,-0.3 145,-0.2 -18,-0.2 -16,-0.1 0.891 88.9 167.6 44.6 55.5 49.0 14.2 30.8 33 33 A T - 0 0 9 143,-1.7 -19,-0.3 -19,-0.2 -1,-0.1 -0.205 39.7-141.0 -90.7 177.9 46.6 16.4 32.7 34 34 A G S S- 0 0 10 -21,-1.0 141,-2.1 1,-0.2 2,-0.4 0.274 71.2 -35.9-103.1-123.8 43.9 15.9 35.2 35 35 A N E S+ B 0 174A 23 139,-0.2 -24,-2.3 140,-0.1 2,-0.3 -0.847 71.0 162.6-106.2 140.6 40.9 18.3 34.6 36 36 A F E -AB 10 173A 0 137,-1.7 137,-1.9 -2,-0.4 2,-0.4 -0.993 23.0-160.2-154.2 154.8 41.4 21.8 33.4 37 37 A V E +AB 9 172A 3 -28,-2.7 -28,-2.8 -2,-0.3 2,-0.4 -0.977 14.9 172.9-140.7 123.1 39.5 24.7 31.8 38 38 A V E +AB 8 171A 0 133,-2.3 133,-3.0 -2,-0.4 2,-0.3 -0.989 19.0 116.5-131.7 139.7 41.0 27.6 30.0 39 39 A G E -AB 7 170A 0 -32,-2.5 -32,-3.4 -2,-0.4 2,-0.4 -0.973 46.3-111.8 176.3 170.4 39.4 30.4 28.0 40 40 A K E +AB 6 169A 7 129,-1.0 129,-2.2 -2,-0.3 2,-0.2 -0.928 51.9 101.8-121.7 147.9 38.5 34.0 27.4 41 41 A G E -AB 5 168A 0 -36,-2.2 -37,-2.1 -2,-0.4 -36,-1.9 -0.772 63.1 -29.2-178.3-133.6 35.2 35.7 27.7 42 42 A W E - B 0 167A 10 125,-2.9 125,-2.4 -2,-0.2 3,-0.1 -0.917 32.5-137.1-123.9 143.2 33.1 38.0 29.9 43 43 A T S S+ 0 0 70 -2,-0.4 2,-0.5 123,-0.2 -1,-0.1 0.845 101.0 39.8 -61.3 -38.0 33.0 38.4 33.7 44 44 A T S S- 0 0 90 122,-0.1 122,-0.2 123,-0.1 -1,-0.2 -0.955 84.7-143.8-120.1 115.7 29.2 38.5 33.6 45 45 A G - 0 0 6 120,-2.9 119,-0.1 -2,-0.5 121,-0.1 -0.270 12.8-159.4 -72.0 162.1 27.5 36.1 31.2 46 46 A S > - 0 0 33 1,-0.0 3,-0.9 -4,-0.0 100,-0.1 -0.998 24.1-140.8-143.9 140.2 24.3 37.0 29.4 47 47 A P T 3 S+ 0 0 29 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.561 105.9 53.5 -76.3 -6.2 21.6 34.9 27.8 48 48 A F T 3 S+ 0 0 163 98,-0.1 99,-0.1 99,-0.1 2,-0.1 0.402 82.4 119.6-105.7 -0.3 21.5 37.5 24.9 49 49 A R < - 0 0 60 -3,-0.9 97,-0.9 97,-0.1 2,-0.6 -0.374 51.8-150.1 -73.2 143.7 25.1 37.4 24.0 50 50 A T E -J 145 0B 68 95,-0.2 2,-0.5 96,-0.1 95,-0.2 -0.967 16.9-152.2-110.9 114.2 26.4 36.3 20.6 51 51 A I E -J 144 0B 0 93,-2.4 93,-3.0 -2,-0.6 2,-0.4 -0.766 9.9-168.1 -95.4 130.9 29.8 34.7 20.9 52 52 A N E +J 143 0B 39 133,-2.6 133,-2.4 -2,-0.5 2,-0.3 -0.911 15.8 159.6-113.9 142.7 32.3 34.9 18.0 53 53 A Y E -JK 142 184B 4 89,-2.4 89,-3.5 -2,-0.4 2,-0.3 -0.992 28.7-155.5-158.4 161.1 35.4 32.8 17.8 54 54 A N E - K 0 183B 34 129,-1.9 129,-1.8 -2,-0.3 2,-1.2 -0.916 10.7-155.9-142.6 110.6 38.1 31.4 15.5 55 55 A A E + K 0 182B 1 85,-0.5 84,-0.6 -2,-0.3 127,-0.2 -0.761 13.0 178.8 -89.6 94.1 40.1 28.3 16.6 56 56 A G E S+ 0 0 52 -2,-1.2 2,-0.4 125,-0.9 -1,-0.2 0.821 77.7 28.7 -63.1 -31.1 43.3 28.7 14.6 57 57 A V E + K 0 181B 62 124,-1.9 124,-2.5 -3,-0.2 2,-0.3 -0.989 59.7 163.2-136.6 125.0 44.4 25.5 16.2 58 58 A W E + K 0 180B 34 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.810 19.1 145.5-138.2 94.6 42.3 22.7 17.5 59 59 A A E + K 0 179B 48 120,-3.1 120,-1.2 -2,-0.3 2,-0.2 -0.514 14.0 170.0-133.9 65.9 44.5 19.6 18.1 60 60 A P E - K 0 178B 25 0, 0.0 118,-0.3 0, 0.0 4,-0.1 -0.565 19.6-162.0 -77.5 143.7 43.4 17.5 21.0 61 61 A N S S- 0 0 133 116,-3.1 117,-0.2 -2,-0.2 2,-0.1 0.614 75.6 -9.6 -96.5 -15.0 45.1 14.1 21.2 62 62 A G S S- 0 0 13 115,-0.8 25,-1.5 26,-0.0 2,-0.7 -0.350 120.2 -0.2-145.9-132.2 42.5 12.7 23.6 63 63 A N S S+ 0 0 30 111,-0.4 111,-2.0 112,-0.3 2,-0.3 -0.610 76.5 131.9 -78.9 110.4 39.5 13.9 25.6 64 64 A G E -C 173 0A 0 -2,-0.7 22,-1.4 109,-0.2 2,-0.4 -0.979 37.6-147.6-155.8 147.4 39.2 17.7 25.1 65 65 A Y E -CD 172 85A 22 107,-3.1 107,-2.4 -2,-0.3 2,-0.7 -0.959 10.4-154.7-124.7 140.3 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 -0.940 49.7 145.8-103.7 103.7 36.0 23.3 22.4 67 67 A T E -CD 170 82A 0 103,-2.4 103,-2.8 -2,-0.7 2,-0.3 -0.989 59.9-109.7-150.1 148.5 33.0 24.7 24.1 68 68 A L E -CD 169 81A 0 13,-2.5 13,-1.6 -2,-0.3 2,-0.4 -0.620 49.7-169.7 -69.0 137.5 31.2 27.8 25.3 69 69 A Y E +CD 168 80A 10 99,-3.4 99,-3.2 -2,-0.3 2,-0.3 -0.996 17.6 131.9-141.3 138.2 31.4 27.5 29.0 70 70 A G E -CD 167 79A 0 9,-1.6 9,-2.4 -2,-0.4 2,-0.3 -0.979 31.4-128.3-167.9 177.1 29.8 29.3 32.0 71 71 A W E - 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