==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-98 2BVV . COMPND 2 MOLECULE: PROTEIN (ENDO-1,4-BETA-XYLANASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR G.SIDHU,G.D.BRAYER . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 76.2 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 . 22 11.9 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,-0.4 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 152.4 33.5 42.8 21.5 2 2 A S - 0 0 114 183,-0.1 2,-0.1 2,-0.0 183,-0.1 -0.574 360.0-136.2 -74.4 124.0 36.3 43.1 24.0 3 3 A T - 0 0 29 -2,-0.4 39,-0.2 181,-0.3 3,-0.1 -0.497 20.2-176.1 -74.3 151.0 36.6 40.2 26.3 4 4 A D + 0 0 98 37,-2.3 2,-0.4 -2,-0.1 38,-0.2 0.261 55.6 74.9-133.0 10.6 37.2 41.0 30.0 5 5 A Y E -A 41 0A 68 36,-1.8 36,-2.1 162,-0.1 2,-0.5 -0.989 53.0-163.5-133.1 136.4 37.6 37.7 31.6 6 6 A W E -A 40 0A 69 -2,-0.4 2,-0.6 34,-0.2 34,-0.2 -0.973 10.0-162.0-117.8 115.4 40.5 35.2 31.6 7 7 A Q E +A 39 0A 15 32,-3.3 32,-2.3 -2,-0.5 2,-0.2 -0.880 21.4 157.2-101.1 121.0 39.7 31.7 32.8 8 8 A N E +A 38 0A 79 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.665 12.7 152.2-145.8 85.6 42.6 29.5 33.8 9 9 A W E +A 37 0A 92 28,-2.6 28,-2.7 -2,-0.2 2,-0.3 -0.941 10.4 168.1-122.7 139.9 41.8 26.6 36.1 10 10 A T E -A 36 0A 54 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.990 38.3-134.8-143.8 145.8 43.5 23.3 36.6 11 11 A D - 0 0 86 24,-2.2 25,-0.1 -2,-0.3 -1,-0.0 0.416 62.0-101.0 -80.9 5.1 43.1 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 0.290 78.4 135.4 98.0 -9.2 46.9 20.5 39.3 13 13 A G - 0 0 24 22,-0.2 21,-0.9 2,-0.1 -1,-0.3 -0.552 64.1 -31.7 -80.9 135.4 47.4 17.4 37.2 14 14 A G S S- 0 0 44 -2,-0.3 2,-0.5 19,-0.3 18,-0.2 -0.120 99.2 -33.3 62.6-155.5 50.0 17.2 34.5 15 15 A I E +H 31 0B 113 16,-2.7 16,-2.5 19,-0.0 2,-0.4 -0.892 49.2 174.4-110.3 129.0 51.1 20.1 32.4 16 16 A V E -H 30 0B 34 -2,-0.5 2,-1.1 14,-0.2 14,-0.2 -0.896 6.8-173.2-133.0 100.1 48.9 23.0 31.3 17 17 A N E +H 29 0B 80 12,-3.4 12,-1.6 -2,-0.4 2,-0.5 -0.777 13.4 179.9 -96.9 91.1 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 -0.803 10.2-160.2 -96.3 129.3 48.0 28.5 29.1 19 19 A V E -H 27 0B 61 8,-2.9 8,-1.7 -2,-0.5 2,-1.2 -0.939 12.1-148.0-115.5 122.9 48.9 31.7 27.4 20 20 A N E -H 26 0B 91 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.747 33.0-170.9 -85.0 92.6 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 0.017 30.3 -64.1 -77.8-173.5 47.4 36.5 24.4 22 22 A S S > S- 0 0 104 2,-0.1 3,-2.3 4,-0.0 -1,-0.2 -0.404 99.5 -20.3 -72.1 149.8 46.5 39.9 23.0 23 23 A G T 3 S- 0 0 64 1,-0.3 162,-0.1 -3,-0.1 -21,-0.0 -0.272 132.7 -20.4 55.1-127.4 42.9 40.9 22.7 24 24 A G T 3 S+ 0 0 12 160,-0.1 160,-2.4 16,-0.1 2,-0.3 0.164 108.4 115.9 -99.6 19.7 40.6 37.8 22.8 25 25 A N E < + I 0 183B 37 -3,-2.3 -4,-1.0 158,-0.3 2,-0.3 -0.675 32.7 158.4 -93.3 143.2 43.4 35.4 21.7 26 26 A Y E -HI 20 182B 0 156,-2.4 156,-2.5 -2,-0.3 2,-0.3 -0.983 17.9-159.1-154.4 156.5 44.7 32.6 23.9 27 27 A S E -HI 19 181B 23 -8,-1.7 -8,-2.9 -2,-0.3 2,-0.4 -0.962 2.0-160.4-139.2 158.1 46.5 29.3 23.5 28 28 A V E -HI 18 180B 0 152,-2.6 152,-2.0 -2,-0.3 2,-0.4 -0.995 9.1-173.6-144.7 134.6 46.9 26.1 25.4 29 29 A N E +HI 17 179B 67 -12,-1.6 -12,-3.4 -2,-0.4 2,-0.3 -0.998 21.8 177.8-120.8 119.1 49.4 23.3 25.4 30 30 A W E -HI 16 178B 8 148,-2.4 148,-2.3 -2,-0.4 2,-0.3 -0.936 12.5-175.0-129.9 153.7 48.6 20.4 27.7 31 31 A S E -H 15 0B 47 -16,-2.5 -16,-2.7 -2,-0.3 146,-0.2 -0.971 66.6 -19.6-150.0 129.4 50.0 17.1 28.6 32 32 A N S S+ 0 0 125 -2,-0.3 145,-0.2 -18,-0.2 -16,-0.1 0.871 88.8 168.7 40.5 58.0 48.9 14.2 30.8 33 33 A T - 0 0 10 143,-1.7 -19,-0.3 -19,-0.2 2,-0.1 -0.163 39.9-140.5 -90.8 179.6 46.5 16.4 32.7 34 34 A G S S- 0 0 11 -21,-0.9 141,-2.0 1,-0.2 2,-0.4 0.228 71.9 -36.9-104.4-125.0 43.8 15.8 35.2 35 35 A N E S+ B 0 174A 19 139,-0.2 -24,-2.2 -2,-0.1 2,-0.3 -0.852 70.5 162.7-106.5 138.5 40.8 18.2 34.5 36 36 A F E -AB 10 173A 0 137,-1.7 137,-1.9 -2,-0.4 2,-0.4 -0.991 22.5-158.5-151.5 154.7 41.4 21.8 33.4 37 37 A V E +AB 9 172A 5 -28,-2.7 -28,-2.6 -2,-0.3 2,-0.4 -0.974 15.6 172.1-140.2 121.8 39.4 24.7 31.8 38 38 A V E +AB 8 171A 0 133,-2.3 133,-2.9 -2,-0.4 2,-0.3 -0.984 19.3 111.8-130.9 140.2 41.0 27.6 29.9 39 39 A G E -AB 7 170A 0 -32,-2.3 -32,-3.3 -2,-0.4 2,-0.3 -0.977 48.2-106.4 174.2 173.5 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 -0.926 52.1 103.3-122.3 148.3 38.5 34.0 27.4 41 41 A G E -AB 5 168A 0 -36,-2.1 -37,-2.3 -2,-0.3 -36,-1.8 -0.771 62.5 -31.6-177.5-133.3 35.1 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 -0.929 31.4-138.0-125.8 142.4 33.1 37.9 29.9 43 43 A T S S+ 0 0 68 -2,-0.4 2,-0.6 123,-0.2 -1,-0.1 0.859 100.6 41.2 -61.6 -38.3 32.9 38.3 33.7 44 44 A T S S- 0 0 90 122,-0.1 -1,-0.2 123,-0.1 122,-0.2 -0.942 85.0-144.4-118.6 112.2 29.2 38.5 33.6 45 45 A G - 0 0 6 120,-3.0 119,-0.1 -2,-0.6 121,-0.1 -0.213 12.4-159.1 -68.6 162.7 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 -0.998 24.3-140.9-145.6 139.4 24.2 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 0.614 105.9 53.0 -74.2 -9.9 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 0.389 82.3 121.3-103.9 2.3 21.4 37.4 24.9 49 49 A R < - 0 0 58 -3,-1.0 97,-1.0 97,-0.1 2,-0.6 -0.374 50.6-150.9 -73.8 144.7 25.1 37.3 24.0 50 50 A T E -J 145 0B 67 95,-0.2 2,-0.5 96,-0.1 95,-0.2 -0.973 16.7-152.0-111.8 114.4 26.3 36.3 20.6 51 51 A I E -J 144 0B 0 93,-2.5 93,-2.9 -2,-0.6 2,-0.4 -0.774 10.1-168.4 -96.4 131.3 29.7 34.7 20.8 52 52 A N E +J 143 0B 40 133,-2.6 133,-2.4 -2,-0.5 2,-0.3 -0.906 15.8 159.1-113.8 143.4 32.2 34.8 18.0 53 53 A Y E -JK 142 184B 2 89,-2.4 89,-3.4 -2,-0.4 2,-0.3 -0.994 28.9-155.2-159.5 161.3 35.4 32.8 17.8 54 54 A N E - K 0 183B 36 129,-1.9 129,-1.8 -2,-0.3 2,-1.2 -0.913 10.3-156.5-142.6 109.6 38.0 31.4 15.5 55 55 A A E + K 0 182B 0 85,-0.5 84,-0.7 -2,-0.3 127,-0.2 -0.760 13.1 178.2 -88.7 93.4 40.0 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 0.815 77.3 29.7 -63.2 -30.2 43.2 28.7 14.5 57 57 A V E + K 0 181B 64 124,-1.9 124,-2.5 -3,-0.2 2,-0.3 -0.985 59.6 162.2-136.8 124.2 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 -0.804 19.1 144.5-138.5 93.8 42.3 22.6 17.5 59 59 A A E + K 0 179B 47 120,-2.9 120,-1.5 -2,-0.3 2,-0.3 -0.559 17.0 174.0-133.9 69.5 44.4 19.5 18.0 60 60 A P E - K 0 178B 26 0, 0.0 118,-0.3 0, 0.0 2,-0.2 -0.594 20.2-158.4 -80.6 141.6 43.4 17.4 21.0 61 61 A N E S- K 0 177B 130 116,-3.5 116,-0.5 -2,-0.3 2,-0.3 -0.486 75.8 -17.8-109.0 54.0 45.2 14.1 21.5 62 62 A G S S+ 0 0 12 -2,-0.2 25,-1.3 114,-0.2 2,-0.6 -0.991 120.1 5.2 147.7-148.4 42.4 12.6 23.6 63 63 A N S S+ 0 0 31 111,-0.4 111,-1.9 -2,-0.3 2,-0.3 -0.580 75.8 132.6 -76.9 114.7 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 -0.969 37.6-145.8-159.8 146.5 39.1 17.6 25.1 65 65 A Y E -CD 172 85A 23 107,-3.0 107,-2.1 -2,-0.3 2,-0.7 -0.951 9.1-156.3-123.6 138.9 36.2 20.0 24.3 66 66 A L E +CD 171 84A 0 18,-2.6 17,-2.1 -2,-0.4 18,-1.5 -0.941 50.6 140.1-102.9 104.8 36.0 23.2 22.3 67 67 A T E -CD 170 82A 0 103,-2.5 103,-3.0 -2,-0.7 2,-0.3 -0.990 62.3-105.3-155.0 150.8 33.0 24.8 23.9 68 68 A L E -CD 169 81A 0 13,-2.5 13,-1.7 -2,-0.3 2,-0.4 -0.635 48.3-170.8 -70.3 137.2 31.1 27.7 25.3 69 69 A F E +CD 168 80A 4 99,-3.3 99,-3.2 -2,-0.3 2,-0.3 -0.998 15.2 138.8-140.0 137.7 31.3 27.4 29.0 70 70 A G E -CD 167 79A 0 9,-1.7 9,-2.4 -2,-0.4 2,-0.3 -0.986 29.6-131.4-165.5 174.2 29.6 29.2 31.9 71 71 A W E - 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