==== 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(XYLAN DEGRADATION) 01-APR-94 1BCX . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR R.L.CAMPBELL,W.W.WAKARCHUK . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 75.7 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 . 21 11.4 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 83 0, 0.0 2,-0.3 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 157.9 33.7 42.7 21.7 2 2 A S - 0 0 111 183,-0.1 2,-0.2 21,-0.0 183,-0.1 -0.663 360.0-131.8 -83.3 136.3 36.6 42.9 24.1 3 3 A T - 0 0 29 -2,-0.3 39,-0.2 181,-0.2 3,-0.1 -0.583 21.8-177.3 -82.6 151.9 36.9 40.0 26.6 4 4 A D + 0 0 103 37,-2.5 2,-0.4 -2,-0.2 38,-0.2 0.283 57.4 72.7-133.7 6.8 37.5 40.9 30.2 5 5 A Y E -A 41 0A 70 36,-1.8 36,-2.0 162,-0.1 2,-0.5 -0.989 53.6-164.8-130.8 137.2 37.8 37.6 31.9 6 6 A W E -A 40 0A 67 -2,-0.4 2,-0.6 34,-0.2 34,-0.2 -0.989 9.2-162.8-120.2 118.3 40.6 35.0 31.8 7 7 A Q E +A 39 0A 16 32,-3.2 32,-2.5 -2,-0.5 2,-0.3 -0.923 19.8 160.0-105.1 122.6 39.8 31.5 33.0 8 8 A N E +A 38 0A 77 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.717 12.8 156.4-145.2 86.7 42.8 29.3 33.9 9 9 A W E +A 37 0A 99 28,-2.8 28,-2.7 -2,-0.3 2,-0.3 -0.960 7.9 163.8-120.9 134.2 41.9 26.4 36.2 10 10 A T E -A 36 0A 53 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.967 39.2-134.9-140.4 150.5 43.6 23.1 36.7 11 11 A D - 0 0 80 24,-1.9 25,-0.1 -2,-0.3 -2,-0.0 0.297 63.2 -97.1 -86.9 8.5 43.3 20.5 39.5 12 12 A G S S+ 0 0 64 1,-0.3 2,-0.3 23,-0.2 24,-0.1 0.268 80.2 134.1 98.6 -8.6 47.1 20.4 39.5 13 13 A G - 0 0 24 22,-0.3 21,-0.9 2,-0.1 -1,-0.3 -0.565 64.5 -32.1 -84.1 135.8 47.7 17.3 37.4 14 14 A G S S- 0 0 52 -2,-0.3 2,-0.5 19,-0.3 18,-0.2 -0.190 99.4 -33.6 63.6-153.2 50.3 17.2 34.6 15 15 A I E +H 31 0B 109 16,-2.6 16,-2.5 2,-0.0 2,-0.4 -0.919 48.6 173.6-112.0 127.7 51.3 20.1 32.5 16 16 A V E -H 30 0B 32 -2,-0.5 2,-1.1 14,-0.2 14,-0.2 -0.908 7.8-173.4-131.4 94.7 48.9 22.9 31.5 17 17 A N E +H 29 0B 81 12,-3.3 12,-1.6 -2,-0.4 2,-0.5 -0.809 12.7 179.6 -93.7 91.6 50.8 25.7 29.7 18 18 A A E -H 28 0B 21 -2,-1.1 2,-0.5 10,-0.2 10,-0.2 -0.858 11.2-160.2 -97.0 127.0 48.1 28.4 29.2 19 19 A V E -H 27 0B 63 8,-2.9 8,-1.5 -2,-0.5 2,-1.1 -0.913 11.2-149.2-113.2 123.7 49.0 31.6 27.5 20 20 A N E -H 26 0B 87 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.805 35.1-172.5 -88.9 97.4 46.9 34.7 28.0 21 21 A G - 0 0 24 4,-1.4 2,-0.1 -2,-1.1 5,-0.1 0.007 29.3 -56.7 -83.7-168.7 47.5 36.4 24.6 22 22 A S S > S- 0 0 110 2,-0.1 3,-2.3 4,-0.0 -1,-0.2 -0.416 100.7 -25.6 -69.4 144.3 46.7 39.7 23.0 23 23 A G T 3 S- 0 0 59 1,-0.3 162,-0.1 -2,-0.1 -21,-0.0 -0.246 132.0 -18.2 54.4-127.9 43.1 40.7 22.9 24 24 A G T 3 S+ 0 0 12 160,-0.1 160,-2.1 16,-0.1 2,-0.3 0.113 108.9 117.2 -97.2 20.6 40.8 37.7 22.9 25 25 A N E < + I 0 183B 42 -3,-2.3 -4,-1.4 158,-0.3 2,-0.3 -0.722 31.4 157.7 -93.6 139.2 43.5 35.3 22.0 26 26 A Y E -HI 20 182B 0 156,-2.3 156,-2.4 -2,-0.3 2,-0.3 -0.969 17.9-160.6-150.0 158.1 44.8 32.4 24.1 27 27 A S E -HI 19 181B 23 -8,-1.5 -8,-2.9 -2,-0.3 2,-0.4 -0.967 2.8-161.4-138.5 156.7 46.6 29.1 23.6 28 28 A V E -HI 18 180B 0 152,-2.3 152,-1.8 -2,-0.3 2,-0.5 -0.998 8.3-172.4-141.4 136.2 47.1 26.0 25.6 29 29 A N E -HI 17 179B 73 -12,-1.6 -12,-3.3 -2,-0.4 2,-0.3 -1.000 22.9-179.8-124.4 122.2 49.6 23.2 25.4 30 30 A W E -HI 16 178B 8 148,-2.5 148,-2.4 -2,-0.5 2,-0.3 -0.956 12.9-175.3-130.6 151.0 48.6 20.3 27.8 31 31 A S E -H 15 0B 42 -16,-2.5 -16,-2.6 -2,-0.3 146,-0.2 -0.960 65.0 -20.0-149.3 127.9 50.1 17.0 28.7 32 32 A N S S+ 0 0 125 -2,-0.3 145,-0.2 -18,-0.2 -1,-0.1 0.888 88.3 172.2 43.3 58.8 49.0 14.1 30.9 33 33 A T - 0 0 9 143,-1.8 -19,-0.3 -19,-0.2 2,-0.1 -0.124 39.3-141.5 -90.2 178.0 46.6 16.2 32.8 34 34 A G S S- 0 0 10 -21,-0.9 141,-1.9 1,-0.2 142,-0.4 0.180 72.8 -36.0-102.6-128.0 43.9 15.8 35.4 35 35 A N E S+ B 0 174A 54 139,-0.2 -24,-1.9 -2,-0.1 2,-0.3 -0.780 71.0 165.8 -98.6 144.5 40.9 18.1 34.8 36 36 A F E -AB 10 173A 2 137,-1.7 137,-1.9 -2,-0.3 2,-0.4 -0.991 22.9-163.9-157.1 151.6 41.4 21.7 33.5 37 37 A V E +AB 9 172A 11 -28,-2.7 -28,-2.8 -2,-0.3 2,-0.4 -0.970 14.9 173.2-139.0 121.2 39.5 24.6 31.9 38 38 A V E +AB 8 171A 0 133,-2.4 133,-2.7 -2,-0.4 2,-0.3 -0.996 19.7 118.8-129.7 135.1 41.1 27.4 30.1 39 39 A G E -AB 7 170A 0 -32,-2.5 -32,-3.2 -2,-0.4 2,-0.3 -0.984 46.1-113.1 179.4 168.3 39.4 30.2 28.2 40 40 A K E +AB 6 169A 7 129,-1.2 129,-2.5 -2,-0.3 2,-0.3 -0.893 52.2 96.3-118.0 149.4 38.6 33.9 27.5 41 41 A G E -AB 5 168A 0 -36,-2.0 -37,-2.5 -2,-0.3 -36,-1.8 -0.843 63.8 -26.3 179.6-132.5 35.3 35.6 27.8 42 42 A W E - B 0 167A 12 125,-2.9 125,-2.3 -2,-0.3 3,-0.1 -0.900 31.8-138.3-124.5 142.6 33.2 37.8 30.1 43 43 A T S S+ 0 0 70 -2,-0.4 2,-0.5 123,-0.2 -1,-0.1 0.821 100.4 39.2 -62.6 -36.3 33.1 38.2 33.9 44 44 A T S S- 0 0 89 122,-0.1 122,-0.2 123,-0.1 -1,-0.2 -0.978 84.8-143.4-121.8 118.2 29.3 38.3 33.7 45 45 A G - 0 0 6 120,-2.6 119,-0.1 -2,-0.5 121,-0.1 -0.282 12.1-159.1 -74.6 164.7 27.5 36.0 31.4 46 46 A S > - 0 0 33 1,-0.1 3,-0.6 -2,-0.0 100,-0.1 -0.995 24.1-141.6-145.3 141.7 24.3 37.0 29.5 47 47 A P T 3 S+ 0 0 30 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.589 105.7 55.5 -78.4 -8.1 21.6 34.8 27.9 48 48 A F T 3 S+ 0 0 161 98,-0.1 99,-0.1 99,-0.1 2,-0.1 0.492 81.5 118.7 -98.8 -6.0 21.6 37.4 25.0 49 49 A R < - 0 0 58 -3,-0.6 97,-1.1 97,-0.1 2,-0.6 -0.307 51.2-152.0 -67.7 143.0 25.2 37.3 24.1 50 50 A T E -J 145 0B 67 95,-0.2 2,-0.4 96,-0.1 95,-0.2 -0.971 17.7-153.2-114.2 114.5 26.4 36.2 20.7 51 51 A I E -J 144 0B 0 93,-2.4 93,-2.3 -2,-0.6 2,-0.4 -0.814 9.0-166.8 -95.7 131.5 29.9 34.7 21.0 52 52 A N E +J 143 0B 40 133,-2.8 133,-2.5 -2,-0.4 2,-0.3 -0.910 16.0 160.8-113.3 143.0 32.3 34.7 18.1 53 53 A Y E -JK 142 184B 3 89,-2.3 89,-3.3 -2,-0.4 2,-0.4 -0.987 27.9-156.4-155.7 162.5 35.5 32.7 17.9 54 54 A N E - K 0 183B 36 129,-1.9 129,-2.1 -2,-0.3 2,-1.0 -0.925 11.3-155.9-143.7 112.6 38.1 31.3 15.6 55 55 A A E + K 0 182B 0 85,-0.5 84,-0.7 -2,-0.4 127,-0.3 -0.819 12.7 179.5 -91.7 96.9 40.1 28.2 16.7 56 56 A G E S+ 0 0 52 -2,-1.0 2,-0.4 125,-1.0 -1,-0.2 0.770 77.2 26.9 -66.2 -32.5 43.3 28.5 14.7 57 57 A V E + K 0 181B 65 124,-1.9 124,-2.5 -3,-0.1 2,-0.3 -0.988 60.6 164.1-134.2 125.7 44.6 25.3 16.3 58 58 A W E + K 0 180B 33 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.822 19.9 146.3-139.3 95.9 42.3 22.5 17.7 59 59 A A E + K 0 179B 47 120,-3.0 120,-1.3 -2,-0.3 2,-0.2 -0.555 15.6 171.7-135.7 68.2 44.5 19.5 18.1 60 60 A P E - K 0 178B 24 0, 0.0 2,-0.6 0, 0.0 118,-0.3 -0.592 21.0-159.7 -81.7 144.2 43.5 17.3 21.1 61 61 A N E S- K 0 177B 128 116,-3.1 116,-1.2 -2,-0.2 2,-0.3 -0.751 75.6 -13.4-115.6 71.5 45.2 13.9 21.6 62 62 A G S S+ 0 0 12 -2,-0.6 25,-1.6 114,-0.2 2,-0.6 -0.938 119.2 1.7 136.6-155.4 42.5 12.5 23.8 63 63 A N S S+ 0 0 31 111,-0.4 111,-1.7 -2,-0.3 2,-0.3 -0.606 75.7 131.7 -77.4 110.4 39.6 13.8 25.8 64 64 A G E -C 173 0A 0 -2,-0.6 22,-1.1 24,-0.2 2,-0.4 -0.955 38.0-146.8-157.7 144.5 39.1 17.5 25.3 65 65 A Y E -CD 172 85A 31 107,-2.5 107,-2.1 -2,-0.3 2,-0.7 -0.931 9.4-153.9-118.5 143.2 36.2 19.9 24.4 66 66 A L E +CD 171 84A 0 18,-2.8 17,-2.0 -2,-0.4 18,-1.7 -0.960 50.9 146.7-109.9 108.0 36.1 23.1 22.4 67 67 A T E -CD 170 82A 0 103,-2.3 103,-3.0 -2,-0.7 2,-0.3 -0.978 60.6-110.2-152.4 149.4 33.1 24.6 24.1 68 68 A L E -CD 169 81A 0 13,-2.5 13,-1.7 -2,-0.3 2,-0.4 -0.695 49.8-170.3 -72.5 142.5 31.2 27.7 25.4 69 69 A Y E +CD 168 80A 10 99,-3.2 99,-3.2 -2,-0.3 2,-0.3 -1.000 16.8 132.6-144.4 137.0 31.5 27.3 29.2 70 70 A G E -CD 167 79A 0 9,-1.7 9,-2.6 -2,-0.4 2,-0.3 -0.983 31.8-128.5-169.6 175.8 29.9 29.1 32.0 71 71 A W E - 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