==== 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 1HV1 . 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) . 7877.0 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 . 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 . 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 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 86 0, 0.0 2,-0.3 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 144.5 33.5 42.9 21.5 2 2 A S - 0 0 113 183,-0.2 2,-0.2 1,-0.0 183,-0.1 -0.561 360.0-132.6 -75.7 130.0 36.4 43.1 23.9 3 3 A T - 0 0 28 -2,-0.3 39,-0.2 181,-0.3 3,-0.1 -0.584 22.2-177.6 -77.9 147.0 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 0.246 57.0 74.5-129.3 9.3 37.3 41.1 29.9 5 5 A Y E -A 41 0A 68 36,-1.9 36,-2.4 162,-0.1 2,-0.5 -0.990 53.1-165.7-132.8 134.5 37.6 37.8 31.5 6 6 A W E -A 40 0A 67 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.978 9.8-161.9-118.6 115.7 40.5 35.2 31.5 7 7 A Q E +A 39 0A 15 32,-3.5 32,-2.4 -2,-0.5 2,-0.2 -0.881 21.2 157.7-101.0 123.8 39.7 31.7 32.7 8 8 A N E +A 38 0A 77 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.604 12.7 153.5-149.0 81.5 42.6 29.5 33.7 9 9 A W E +A 37 0A 90 28,-2.8 28,-2.8 -2,-0.2 2,-0.3 -0.907 9.5 167.8-117.3 139.9 41.7 26.7 36.0 10 10 A T E -A 36 0A 54 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.984 38.4-133.7-143.4 149.5 43.4 23.4 36.5 11 11 A D - 0 0 83 24,-2.1 25,-0.1 -2,-0.3 -2,-0.0 0.377 61.9 -98.7 -85.5 7.7 43.1 20.7 39.2 12 12 A G S S+ 0 0 65 1,-0.3 2,-0.3 23,-0.2 24,-0.1 0.255 79.8 136.0 98.9 -11.6 46.9 20.6 39.4 13 13 A G - 0 0 22 22,-0.3 21,-0.9 2,-0.1 -1,-0.3 -0.547 62.9 -35.3 -80.0 131.7 47.4 17.5 37.1 14 14 A G S S- 0 0 45 -2,-0.3 2,-0.5 19,-0.3 18,-0.2 -0.147 97.9 -32.1 64.6-155.0 50.1 17.3 34.5 15 15 A I E +H 31 0B 109 16,-2.5 16,-2.4 2,-0.0 2,-0.4 -0.888 50.7 173.2-107.2 127.4 51.2 20.2 32.3 16 16 A V E -H 30 0B 35 -2,-0.5 2,-1.0 14,-0.2 14,-0.2 -0.896 8.2-172.0-132.4 102.1 48.9 23.1 31.2 17 17 A N E -H 29 0B 82 12,-3.5 12,-1.4 -2,-0.4 2,-0.5 -0.792 12.9-179.5 -97.3 92.3 50.7 25.9 29.4 18 18 A A E -H 28 0B 22 -2,-1.0 2,-0.6 10,-0.2 10,-0.2 -0.841 9.3-161.0 -96.9 124.4 48.0 28.6 29.1 19 19 A V E -H 27 0B 61 8,-2.9 8,-1.6 -2,-0.5 2,-1.2 -0.914 12.1-147.9-112.2 120.5 48.9 31.8 27.4 20 20 A N E -H 26 0B 87 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.732 32.7-169.8 -82.9 94.7 46.9 34.9 27.8 21 21 A G - 0 0 22 -2,-1.2 2,-0.1 4,-1.1 5,-0.0 -0.017 29.5 -66.1 -79.3-173.3 47.4 36.5 24.4 22 22 A S S > S- 0 0 106 2,-0.1 3,-2.1 4,-0.0 -1,-0.2 -0.433 99.6 -18.7 -73.2 147.6 46.6 40.0 22.9 23 23 A G T 3 S- 0 0 64 1,-0.3 162,-0.1 -2,-0.1 -21,-0.0 -0.329 132.3 -22.2 59.7-128.3 43.0 40.9 22.6 24 24 A G T 3 S+ 0 0 12 -2,-0.1 160,-2.2 160,-0.1 2,-0.3 0.207 108.6 115.2-101.0 17.1 40.7 37.9 22.7 25 25 A N E < + I 0 183B 40 -3,-2.1 -4,-1.1 158,-0.3 2,-0.3 -0.633 33.4 159.2 -90.4 143.7 43.4 35.5 21.7 26 26 A Y E -HI 20 182B 0 156,-2.4 156,-2.3 -2,-0.3 2,-0.3 -0.981 18.4-157.2-153.8 158.2 44.7 32.7 23.8 27 27 A S E -HI 19 181B 23 -8,-1.6 -8,-2.9 -2,-0.3 2,-0.4 -0.961 2.2-162.0-138.4 157.2 46.5 29.4 23.4 28 28 A V E -HI 18 180B 0 152,-2.6 152,-2.1 -2,-0.3 2,-0.4 -0.997 8.4-174.4-142.9 134.9 47.0 26.2 25.4 29 29 A N E +HI 17 179B 71 -12,-1.4 -12,-3.5 -2,-0.4 2,-0.3 -0.996 21.3 177.7-122.7 119.4 49.4 23.3 25.3 30 30 A W E -HI 16 178B 8 148,-2.1 148,-2.3 -2,-0.4 2,-0.3 -0.930 12.7-174.8-129.4 155.3 48.6 20.5 27.7 31 31 A S E -H 15 0B 44 -16,-2.4 -16,-2.5 -2,-0.3 146,-0.2 -0.963 66.6 -18.8-151.5 127.3 50.1 17.1 28.5 32 32 A N S S+ 0 0 124 -2,-0.3 145,-0.2 -18,-0.2 -16,-0.1 0.881 88.8 167.7 43.3 57.6 48.9 14.2 30.7 33 33 A T - 0 0 8 143,-1.8 -19,-0.3 1,-0.2 -1,-0.1 -0.235 40.4-140.0 -94.3 177.3 46.6 16.4 32.6 34 34 A G S S- 0 0 12 -21,-0.9 141,-2.0 1,-0.2 2,-0.4 0.297 72.2 -36.2-100.2-124.5 43.8 15.9 35.1 35 35 A N E S+ B 0 174A 23 139,-0.2 -24,-2.1 140,-0.1 2,-0.3 -0.848 70.2 163.9-105.5 138.0 40.9 18.3 34.5 36 36 A F E -AB 10 173A 0 137,-1.7 137,-1.9 -2,-0.4 2,-0.4 -0.989 21.7-160.5-150.1 155.1 41.4 21.9 33.3 37 37 A V E +AB 9 172A 3 -28,-2.8 -28,-2.8 -2,-0.3 2,-0.4 -0.970 15.3 171.0-140.4 123.1 39.4 24.8 31.7 38 38 A V E +AB 8 171A 0 133,-2.1 133,-2.8 -2,-0.4 2,-0.3 -0.992 18.2 117.5-132.9 138.6 41.0 27.7 29.9 39 39 A G E -AB 7 170A 0 -32,-2.4 -32,-3.5 -2,-0.4 2,-0.4 -0.980 46.4-110.8 178.0 171.4 39.4 30.4 27.9 40 40 A K E +AB 6 169A 7 129,-1.1 129,-2.3 -2,-0.3 2,-0.2 -0.934 52.4 101.5-121.6 146.6 38.5 34.0 27.3 41 41 A G E -AB 5 168A 0 -36,-2.4 -37,-2.1 -2,-0.4 -36,-1.9 -0.752 63.2 -29.7-177.4-132.0 35.2 35.8 27.6 42 42 A W E - B 0 167A 10 125,-2.8 125,-2.3 -2,-0.2 3,-0.1 -0.930 31.6-137.3-126.4 143.4 33.2 38.0 29.8 43 43 A T S S+ 0 0 69 -2,-0.4 2,-0.6 123,-0.2 -1,-0.1 0.850 100.9 40.2 -60.0 -41.0 33.0 38.4 33.6 44 44 A T S S- 0 0 91 122,-0.1 -1,-0.2 123,-0.1 122,-0.2 -0.955 84.6-143.8-117.5 115.7 29.2 38.6 33.5 45 45 A G - 0 0 5 120,-2.5 119,-0.1 -2,-0.6 121,-0.1 -0.299 12.3-158.6 -72.5 161.8 27.4 36.2 31.1 46 46 A S > - 0 0 34 1,-0.1 3,-0.9 -2,-0.0 100,-0.1 -1.000 23.8-141.3-143.3 137.1 24.3 37.1 29.2 47 47 A P T 3 S+ 0 0 28 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.599 106.0 52.8 -73.6 -6.6 21.5 35.0 27.7 48 48 A F T 3 S+ 0 0 159 98,-0.1 99,-0.1 99,-0.1 100,-0.0 0.444 82.2 121.0-105.3 0.2 21.4 37.5 24.8 49 49 A R < - 0 0 58 -3,-0.9 97,-1.0 97,-0.1 2,-0.6 -0.315 51.2-150.1 -71.8 143.0 25.1 37.4 23.9 50 50 A T E -J 145 0B 68 95,-0.2 2,-0.4 96,-0.1 95,-0.2 -0.965 17.2-152.7-109.4 113.4 26.4 36.4 20.5 51 51 A I E -J 144 0B 0 93,-2.3 93,-2.9 -2,-0.6 2,-0.4 -0.763 9.4-167.5 -94.9 130.7 29.8 34.8 20.8 52 52 A N E +J 143 0B 40 133,-2.6 133,-2.4 -2,-0.4 2,-0.3 -0.917 15.8 160.9-112.9 142.8 32.3 34.9 17.9 53 53 A Y E -JK 142 184B 3 89,-2.5 89,-3.2 -2,-0.4 2,-0.4 -0.995 27.9-157.3-157.8 159.4 35.4 32.8 17.7 54 54 A N E - K 0 183B 35 129,-2.0 129,-1.8 -2,-0.3 2,-1.1 -0.923 10.2-157.5-141.0 110.0 38.1 31.4 15.5 55 55 A A E + K 0 182B 1 85,-0.4 84,-0.8 -2,-0.4 127,-0.3 -0.785 12.5 178.4 -90.2 96.5 40.1 28.4 16.5 56 56 A G E S+ 0 0 52 -2,-1.1 2,-0.4 125,-1.1 -1,-0.2 0.812 77.4 30.1 -65.9 -30.5 43.2 28.7 14.5 57 57 A V E + K 0 181B 62 124,-1.9 124,-2.5 -3,-0.2 2,-0.3 -0.985 59.9 162.8-134.6 122.0 44.4 25.5 16.1 58 58 A W E + K 0 180B 34 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.820 18.8 146.0-134.8 95.3 42.3 22.7 17.5 59 59 A A E + K 0 179B 48 120,-3.1 120,-1.3 -2,-0.3 2,-0.2 -0.546 16.0 173.8-132.9 66.9 44.5 19.6 18.0 60 60 A P E - K 0 178B 24 0, 0.0 118,-0.3 0, 0.0 2,-0.2 -0.583 19.9-158.9 -78.2 141.2 43.3 17.5 20.9 61 61 A N E S- K 0 177B 136 116,-3.3 116,-0.6 -2,-0.2 2,-0.3 -0.514 75.7 -20.4-109.4 54.8 45.2 14.2 21.4 62 62 A G S S+ 0 0 13 -2,-0.2 25,-1.4 114,-0.2 2,-0.6 -0.989 120.5 8.0 144.4-147.9 42.4 12.6 23.5 63 63 A N S S+ 0 0 28 111,-0.4 111,-2.0 -2,-0.3 2,-0.3 -0.566 75.8 131.5 -75.9 114.6 39.5 13.9 25.6 64 64 A G E -C 173 0A 0 -2,-0.6 22,-1.3 109,-0.2 2,-0.4 -0.962 38.3-145.7-161.1 145.2 39.1 17.7 25.1 65 65 A Y E -CD 172 85A 25 107,-3.1 107,-2.4 -2,-0.3 2,-0.7 -0.947 8.6-156.9-121.7 137.4 36.2 20.1 24.3 66 66 A L E +CD 171 84A 0 18,-2.6 17,-1.9 -2,-0.4 18,-1.5 -0.940 50.1 141.9-102.0 104.0 36.1 23.3 22.3 67 67 A T E -CD 170 82A 0 103,-2.3 103,-3.0 -2,-0.7 2,-0.3 -0.988 61.6-107.0-152.3 149.5 33.0 24.8 23.9 68 68 A L E -CD 169 81A 0 13,-2.7 13,-1.8 -2,-0.3 2,-0.4 -0.625 48.9-171.6 -68.7 139.5 31.2 27.8 25.2 69 69 A Y E +CD 168 80A 10 99,-3.1 99,-3.2 -2,-0.3 2,-0.3 -0.997 15.9 134.5-144.4 135.8 31.3 27.5 28.9 70 70 A G E -CD 167 79A 0 9,-1.7 9,-2.6 -2,-0.4 2,-0.3 -0.975 30.4-129.9-165.6 177.1 29.7 29.4 31.8 71 71 A W E - 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