==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-SEP-98 1BVV . COMPND 2 MOLECULE: 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) . 7839.0 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 . 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 . 7 3.8 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 1 0 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 84 0, 0.0 2,-0.5 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 161.7 33.5 42.5 21.3 2 2 A S - 0 0 104 183,-0.2 2,-0.2 21,-0.0 183,-0.1 -0.781 360.0-136.8 -92.2 124.2 36.2 42.9 23.9 3 3 A T - 0 0 21 -2,-0.5 39,-0.2 181,-0.3 3,-0.1 -0.490 19.7-177.4 -75.5 148.1 36.6 40.1 26.4 4 4 A D + 0 0 98 37,-2.2 2,-0.4 -2,-0.2 38,-0.2 0.227 56.9 74.6-131.1 13.3 37.2 41.0 30.0 5 5 A Y E -A 41 0A 67 36,-1.7 36,-2.1 162,-0.1 2,-0.5 -0.993 53.1-163.8-135.6 134.6 37.6 37.6 31.6 6 6 A W E -A 40 0A 67 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.964 11.3-162.4-116.5 113.2 40.4 35.1 31.7 7 7 A Q E +A 39 0A 13 32,-3.4 32,-2.4 -2,-0.5 2,-0.2 -0.858 21.0 157.2 -99.6 125.2 39.5 31.6 32.9 8 8 A N E +A 38 0A 77 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.639 11.1 154.9-149.2 85.4 42.4 29.3 33.9 9 9 A W E +A 37 0A 83 28,-2.8 28,-2.9 -2,-0.2 2,-0.3 -0.936 8.5 168.0-120.0 138.0 41.5 26.5 36.2 10 10 A T E -A 36 0A 56 -2,-0.4 26,-0.2 26,-0.3 -2,-0.0 -0.993 38.1-135.5-142.7 143.9 43.2 23.2 36.7 11 11 A D - 0 0 86 24,-2.5 25,-0.1 -2,-0.3 -1,-0.0 0.435 62.0 -99.9 -79.3 5.0 42.8 20.5 39.4 12 12 A G S S+ 0 0 63 1,-0.3 2,-0.3 23,-0.3 24,-0.1 0.311 79.2 135.4 98.3 -7.4 46.6 20.4 39.5 13 13 A G - 0 0 22 22,-0.3 21,-1.0 2,-0.1 -1,-0.3 -0.564 63.2 -31.5 -83.5 136.6 47.2 17.3 37.4 14 14 A G S S- 0 0 51 19,-0.3 2,-0.5 -2,-0.3 19,-0.2 -0.147 99.2 -34.7 62.7-153.8 49.8 17.1 34.7 15 15 A I E +H 31 0B 107 16,-2.5 16,-2.2 19,-0.0 2,-0.4 -0.921 49.8 174.6-113.1 127.3 51.0 20.0 32.6 16 16 A V E -H 30 0B 32 -2,-0.5 2,-1.1 14,-0.2 14,-0.2 -0.881 7.5-172.0-131.1 97.1 48.7 22.9 31.5 17 17 A N E -H 29 0B 81 12,-3.5 12,-1.7 -2,-0.4 2,-0.5 -0.749 13.0-178.1 -93.2 91.7 50.5 25.7 29.7 18 18 A A E -H 28 0B 23 -2,-1.1 2,-0.6 10,-0.2 10,-0.2 -0.804 9.4-159.6 -95.3 126.1 47.8 28.4 29.3 19 19 A V E -H 27 0B 59 8,-3.1 8,-1.7 -2,-0.5 2,-1.3 -0.913 10.9-149.4-111.8 118.8 48.8 31.6 27.5 20 20 A N E -H 26 0B 92 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.711 33.6-171.6 -83.0 92.7 46.8 34.7 28.0 21 21 A G - 0 0 22 -2,-1.3 2,-0.1 4,-0.9 5,-0.1 0.028 29.0 -62.6 -78.7-172.1 47.3 36.3 24.6 22 22 A S S > S- 0 0 104 2,-0.1 3,-2.5 4,-0.0 -1,-0.2 -0.398 98.6 -23.3 -71.3 148.5 46.5 39.7 23.1 23 23 A G T 3 S- 0 0 64 1,-0.3 162,-0.1 -3,-0.1 -21,-0.0 -0.233 132.8 -18.8 52.5-128.4 42.8 40.8 22.8 24 24 A G T 3 S+ 0 0 12 -23,-0.1 160,-2.7 160,-0.1 2,-0.3 0.159 109.9 115.2 -96.2 20.1 40.5 37.8 22.9 25 25 A N E < + I 0 183B 35 -3,-2.5 -4,-0.9 158,-0.3 2,-0.3 -0.684 32.4 156.2 -95.3 143.7 43.3 35.3 21.9 26 26 A Y E -HI 20 182B 0 156,-2.1 156,-2.4 -2,-0.3 2,-0.3 -0.983 19.0-157.2-156.3 156.2 44.6 32.5 24.1 27 27 A S E -HI 19 181B 22 -8,-1.7 -8,-3.1 -2,-0.3 2,-0.4 -0.965 2.2-158.1-138.6 158.2 46.4 29.2 23.6 28 28 A V E -HI 18 180B 0 152,-2.8 152,-2.0 -2,-0.3 2,-0.5 -0.994 8.8-174.8-143.2 132.5 46.8 26.0 25.6 29 29 A N E +HI 17 179B 70 -12,-1.7 -12,-3.5 -2,-0.4 2,-0.3 -0.993 22.4 171.6-120.4 117.4 49.3 23.2 25.6 30 30 A W E -HI 16 178B 9 148,-2.5 148,-2.5 -2,-0.5 2,-0.3 -0.924 13.6-179.4-131.2 156.0 48.5 20.3 27.9 31 31 A S E -H 15 0B 34 -16,-2.2 -16,-2.5 -2,-0.3 146,-0.3 -0.934 67.4 -11.6-156.8 131.6 49.8 16.9 28.6 32 32 A N S S+ 0 0 125 -2,-0.3 145,-0.2 -18,-0.2 -16,-0.1 0.899 88.9 166.3 45.8 56.2 48.8 14.0 30.9 33 33 A T - 0 0 8 143,-1.8 -19,-0.3 -19,-0.2 2,-0.1 -0.197 40.0-140.3 -92.2-180.0 46.4 16.3 32.8 34 34 A G S S- 0 0 10 -21,-1.0 141,-1.7 1,-0.2 2,-0.4 0.192 70.8 -36.6-105.7-128.7 43.6 15.8 35.3 35 35 A N E S+ B 0 174A 21 139,-0.2 -24,-2.5 -2,-0.1 2,-0.3 -0.808 70.8 161.4-102.0 140.9 40.7 18.1 34.7 36 36 A F E -AB 10 173A 0 137,-1.7 137,-1.8 -2,-0.4 2,-0.4 -0.993 23.6-159.0-154.8 154.1 41.2 21.7 33.5 37 37 A V E +AB 9 172A 1 -28,-2.9 -28,-2.8 -2,-0.3 2,-0.4 -0.964 15.8 172.4-140.8 120.1 39.2 24.6 31.9 38 38 A V E +AB 8 171A 0 133,-2.3 133,-2.9 -2,-0.4 2,-0.3 -0.981 19.2 114.0-128.8 140.2 40.8 27.5 30.1 39 39 A G E -AB 7 170A 0 -32,-2.4 -32,-3.4 -2,-0.4 2,-0.3 -0.980 47.3-108.4 175.2 173.0 39.2 30.3 28.0 40 40 A K E +AB 6 169A 7 129,-1.1 129,-2.4 -2,-0.3 2,-0.2 -0.934 52.3 101.0-123.7 147.8 38.4 33.9 27.5 41 41 A G E -AB 5 168A 0 -36,-2.1 -37,-2.2 -2,-0.3 -36,-1.7 -0.769 63.2 -29.4-178.9-131.6 35.1 35.6 27.7 42 42 A W E - B 0 167A 11 125,-3.0 125,-2.6 -2,-0.2 3,-0.1 -0.920 32.2-136.6-126.2 144.8 33.0 37.9 30.0 43 43 A T S S+ 0 0 69 -2,-0.4 2,-0.6 123,-0.2 -1,-0.1 0.841 100.7 41.7 -62.7 -37.2 32.9 38.3 33.8 44 44 A T S S- 0 0 92 122,-0.1 122,-0.2 123,-0.1 -1,-0.2 -0.944 85.2-141.9-119.8 113.5 29.1 38.4 33.7 45 45 A G - 0 0 6 120,-3.0 119,-0.1 -2,-0.6 121,-0.1 -0.213 13.6-159.1 -67.8 161.2 27.3 36.0 31.4 46 46 A S > - 0 0 32 1,-0.1 3,-0.8 -4,-0.0 100,-0.1 -0.998 23.0-143.6-144.3 137.3 24.2 36.9 29.4 47 47 A P T 3 S+ 0 0 28 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.631 105.1 51.0 -74.5 -10.9 21.5 34.8 27.8 48 48 A F T 3 S+ 0 0 161 98,-0.1 99,-0.1 99,-0.1 2,-0.1 0.408 83.1 121.2-104.0 0.2 21.3 37.3 24.9 49 49 A R < - 0 0 60 -3,-0.8 97,-0.9 97,-0.1 2,-0.6 -0.359 51.9-148.9 -71.1 142.5 25.0 37.3 24.1 50 50 A T E -J 145 0B 67 95,-0.2 2,-0.5 96,-0.1 95,-0.2 -0.956 16.6-152.3-109.0 114.0 26.3 36.3 20.7 51 51 A I E -J 144 0B 0 93,-2.3 93,-3.0 -2,-0.6 2,-0.4 -0.769 10.0-168.4 -96.4 131.1 29.7 34.7 20.9 52 52 A N E +J 143 0B 39 133,-2.7 133,-2.4 -2,-0.5 2,-0.3 -0.892 16.2 158.2-112.6 143.6 32.2 34.8 18.0 53 53 A Y E -JK 142 184B 3 89,-2.4 89,-3.3 -2,-0.4 2,-0.3 -0.995 29.0-154.9-160.4 161.4 35.3 32.7 17.9 54 54 A N E - K 0 183B 35 129,-1.9 129,-1.9 -2,-0.3 2,-1.2 -0.916 10.1-156.0-143.0 111.7 38.0 31.3 15.7 55 55 A A E + K 0 182B 1 85,-0.4 84,-0.4 -2,-0.3 127,-0.2 -0.763 13.1 178.4 -90.2 93.6 39.9 28.2 16.7 56 56 A G E S+ 0 0 52 -2,-1.2 2,-0.4 125,-1.0 -1,-0.2 0.792 77.7 29.7 -63.4 -27.7 43.1 28.5 14.6 57 57 A V E + K 0 181B 63 124,-1.8 124,-2.5 -3,-0.1 2,-0.3 -0.983 59.5 163.1-139.1 124.2 44.3 25.4 16.3 58 58 A W E + K 0 180B 37 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.802 18.7 145.9-138.1 93.4 42.2 22.5 17.7 59 59 A A E + K 0 179B 48 120,-3.0 120,-1.5 -2,-0.3 2,-0.2 -0.564 13.3 169.4-132.3 70.2 44.3 19.4 18.2 60 60 A P E - K 0 178B 26 0, 0.0 118,-0.3 0, 0.0 4,-0.1 -0.602 19.4-162.5 -81.6 145.8 43.2 17.3 21.2 61 61 A N S S- 0 0 132 116,-3.1 117,-0.2 -2,-0.2 2,-0.1 0.660 75.3 -8.7 -97.2 -18.4 44.9 13.9 21.4 62 62 A G S S- 0 0 13 115,-0.8 25,-1.3 1,-0.1 2,-0.6 -0.327 120.5 -0.1-143.0-134.3 42.3 12.5 23.8 63 63 A N S S+ 0 0 30 111,-0.4 111,-1.8 112,-0.3 2,-0.3 -0.555 77.0 134.3 -74.0 113.8 39.4 13.8 25.8 64 64 A G E -C 173 0A 0 -2,-0.6 22,-1.4 24,-0.2 2,-0.4 -0.975 36.7-148.1-159.0 146.6 39.0 17.5 25.2 65 65 A Y E -CD 172 85A 21 107,-2.8 107,-2.3 -2,-0.3 2,-0.7 -0.958 9.6-158.2-124.9 139.5 36.1 19.9 24.4 66 66 A L E +CD 171 84A 0 18,-2.5 17,-2.1 -2,-0.4 18,-1.4 -0.942 49.9 139.9-105.5 102.2 35.9 23.2 22.5 67 67 A T E -CD 170 82A 0 103,-2.2 103,-2.8 -2,-0.7 2,-0.3 -0.982 62.3-102.0-152.1 153.2 32.9 24.7 24.0 68 68 A L E -CD 169 81A 0 13,-2.4 13,-1.6 -2,-0.3 2,-0.4 -0.613 49.5-170.3 -68.8 137.9 31.0 27.6 25.3 69 69 A Y E +CD 168 80A 8 99,-3.3 99,-3.3 -2,-0.3 2,-0.3 -0.998 16.8 132.6-141.1 137.0 31.3 27.4 29.1 70 70 A G E -CD 167 79A 0 9,-1.6 9,-2.4 -2,-0.4 2,-0.3 -0.984 31.0-130.3-167.6 176.6 29.6 29.2 32.0 71 71 A W E - 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