==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSIDASE 01-JUN-94 1XNB . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR R.L.CAMPBELL . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 75.1 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 . 20 10.8 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 85 0, 0.0 2,-0.3 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 157.1 33.6 43.0 21.7 2 2 A S - 0 0 110 183,-0.1 2,-0.3 21,-0.0 183,-0.1 -0.661 360.0-133.4 -83.1 137.7 36.5 43.2 24.1 3 3 A T - 0 0 28 -2,-0.3 39,-0.2 181,-0.2 3,-0.1 -0.642 20.6-175.9 -86.5 147.8 36.7 40.2 26.5 4 4 A D + 0 0 104 37,-2.2 2,-0.4 -2,-0.3 38,-0.2 0.202 57.5 73.0-129.4 11.7 37.3 41.2 30.1 5 5 A Y E -A 41 0A 68 36,-1.7 36,-2.0 162,-0.1 2,-0.5 -0.996 53.4-164.9-135.7 135.9 37.7 37.8 31.7 6 6 A W E -A 40 0A 67 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.988 10.1-163.0-120.2 117.6 40.5 35.3 31.7 7 7 A Q E +A 39 0A 14 32,-3.1 32,-2.4 -2,-0.5 2,-0.2 -0.916 20.6 158.3-103.5 122.0 39.7 31.8 32.9 8 8 A N E +A 38 0A 79 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.676 12.7 154.9-147.3 87.0 42.6 29.5 33.8 9 9 A W E +A 37 0A 93 28,-2.8 28,-2.5 -2,-0.2 2,-0.3 -0.944 9.6 168.6-120.7 138.6 41.7 26.7 36.1 10 10 A T E -A 36 0A 56 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.982 38.2-135.6-142.1 148.5 43.5 23.4 36.6 11 11 A D - 0 0 86 24,-2.1 25,-0.1 -2,-0.3 -2,-0.0 0.357 61.9-101.6 -83.2 4.7 43.1 20.7 39.2 12 12 A G S S+ 0 0 63 1,-0.3 2,-0.3 23,-0.2 24,-0.1 0.263 78.3 133.9 98.3 -11.4 46.9 20.5 39.3 13 13 A G - 0 0 25 22,-0.2 21,-1.0 2,-0.1 -1,-0.3 -0.532 64.9 -29.9 -79.6 137.7 47.5 17.4 37.2 14 14 A G S S- 0 0 45 19,-0.3 2,-0.5 -2,-0.3 18,-0.2 -0.086 99.1 -34.5 61.7-156.3 50.1 17.4 34.5 15 15 A I E +H 31 0B 109 16,-2.5 16,-2.5 2,-0.0 2,-0.4 -0.889 48.3 173.1-109.7 128.2 51.1 20.3 32.4 16 16 A V E -H 30 0B 34 -2,-0.5 2,-0.9 14,-0.2 14,-0.2 -0.935 7.7-173.3-132.4 101.7 48.8 23.1 31.3 17 17 A N E -H 29 0B 82 12,-3.3 12,-1.7 -2,-0.4 2,-0.5 -0.845 13.2-179.7 -99.4 96.2 50.7 25.9 29.6 18 18 A A E -H 28 0B 23 -2,-0.9 2,-0.5 10,-0.2 10,-0.2 -0.860 11.0-159.6-101.9 128.5 48.0 28.6 29.1 19 19 A V E -H 27 0B 61 8,-2.9 8,-1.7 -2,-0.5 2,-1.1 -0.933 11.3-148.9-112.7 125.4 48.9 31.9 27.4 20 20 A N E -H 26 0B 87 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.805 33.3-171.5 -90.2 96.3 46.8 35.0 27.9 21 21 A G - 0 0 22 4,-1.4 2,-0.1 -2,-1.1 5,-0.0 -0.053 30.2 -61.6 -82.1-172.3 47.4 36.7 24.5 22 22 A S S > S- 0 0 108 2,-0.1 3,-2.3 4,-0.0 -1,-0.2 -0.400 100.0 -21.0 -71.7 149.2 46.6 40.1 23.1 23 23 A G T 3 S- 0 0 63 1,-0.3 162,-0.1 -3,-0.1 -21,-0.0 -0.263 132.5 -19.5 55.6-129.8 42.9 41.1 22.8 24 24 A G T 3 S+ 0 0 13 160,-0.1 160,-2.0 16,-0.1 2,-0.3 0.217 108.2 115.1 -95.5 17.2 40.7 38.0 22.8 25 25 A N E < + I 0 183B 39 -3,-2.3 -4,-1.4 158,-0.3 2,-0.3 -0.629 32.3 158.5 -92.0 142.6 43.4 35.6 21.8 26 26 A Y E -HI 20 182B 0 156,-2.2 156,-2.4 -2,-0.3 2,-0.3 -0.973 17.5-159.8-151.6 160.1 44.7 32.7 24.0 27 27 A S E -HI 19 181B 23 -8,-1.7 -8,-2.9 -2,-0.3 2,-0.3 -0.969 1.2-163.3-141.7 156.2 46.5 29.5 23.5 28 28 A V E -HI 18 180B 0 152,-2.4 152,-2.0 -2,-0.3 2,-0.4 -0.994 7.9-172.3-142.6 137.3 47.0 26.3 25.5 29 29 A N E -HI 17 179B 72 -12,-1.7 -12,-3.3 -2,-0.3 2,-0.3 -0.999 22.8-178.9-124.1 124.9 49.5 23.4 25.3 30 30 A W E -HI 16 178B 8 148,-2.7 148,-2.4 -2,-0.4 2,-0.4 -0.964 13.3-173.7-132.2 151.1 48.6 20.6 27.6 31 31 A S E -H 15 0B 46 -16,-2.5 -16,-2.5 -2,-0.3 146,-0.2 -0.975 65.5 -20.4-148.1 127.3 50.1 17.2 28.5 32 32 A N S S+ 0 0 125 -2,-0.4 145,-0.2 -18,-0.2 -1,-0.1 0.877 88.4 172.4 43.7 58.3 48.9 14.3 30.7 33 33 A T - 0 0 9 143,-1.9 -19,-0.3 1,-0.2 -1,-0.1 -0.162 40.6-140.3 -90.5 177.6 46.5 16.4 32.6 34 34 A G S S- 0 0 12 -21,-1.0 141,-1.9 1,-0.2 2,-0.4 0.229 72.3 -42.4 -99.3-124.6 43.8 16.0 35.2 35 35 A N E + B 0 174A 23 139,-0.2 -24,-2.1 -2,-0.1 2,-0.3 -0.838 69.2 163.4-110.2 139.1 40.9 18.4 34.4 36 36 A F E -AB 10 173A 0 137,-1.6 137,-1.9 -2,-0.4 2,-0.4 -0.985 22.2-159.2-150.4 157.3 41.4 22.0 33.4 37 37 A V E +AB 9 172A 2 -28,-2.5 -28,-2.8 -2,-0.3 2,-0.4 -0.978 15.3 173.5-142.1 122.7 39.4 24.8 31.7 38 38 A V E +AB 8 171A 0 133,-2.4 133,-2.8 -2,-0.4 2,-0.3 -0.991 18.9 119.6-130.7 139.1 41.0 27.7 30.0 39 39 A G E -AB 7 170A 0 -32,-2.4 -32,-3.1 -2,-0.4 2,-0.3 -0.985 45.9-112.4 178.4 171.0 39.3 30.5 28.0 40 40 A K E +AB 6 169A 7 129,-1.2 129,-2.5 -2,-0.3 2,-0.2 -0.931 52.5 98.1-122.2 148.9 38.5 34.1 27.4 41 41 A G E -AB 5 168A 0 -36,-2.0 -37,-2.2 -2,-0.3 -36,-1.7 -0.809 63.9 -26.3 179.2-133.0 35.2 35.9 27.7 42 42 A W E - B 0 167A 11 125,-2.9 125,-2.3 -2,-0.2 3,-0.1 -0.898 32.4-137.4-123.7 142.8 33.1 38.0 30.0 43 43 A T S S+ 0 0 68 -2,-0.4 2,-0.5 123,-0.2 -1,-0.1 0.837 100.6 38.3 -62.4 -37.2 32.9 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 -0.964 85.1-142.7-122.3 114.3 29.1 38.5 33.7 45 45 A G - 0 0 6 120,-2.8 119,-0.1 -2,-0.5 121,-0.1 -0.276 12.4-158.2 -68.7 162.3 27.4 36.2 31.3 46 46 A S > - 0 0 32 1,-0.1 3,-0.8 -4,-0.0 100,-0.1 -0.998 24.0-140.9-143.8 139.5 24.2 37.1 29.4 47 47 A P T 3 S+ 0 0 28 0, 0.0 103,-0.2 0, 0.0 104,-0.2 0.550 106.3 54.5 -75.8 -4.6 21.5 35.0 27.8 48 48 A F T 3 S+ 0 0 159 98,-0.1 99,-0.1 99,-0.1 2,-0.1 0.438 80.8 118.0-106.4 -2.3 21.5 37.6 25.0 49 49 A R < - 0 0 60 -3,-0.8 97,-1.1 97,-0.1 2,-0.6 -0.361 51.7-150.9 -71.7 141.9 25.2 37.5 24.0 50 50 A T E -J 145 0B 67 95,-0.2 2,-0.4 96,-0.1 95,-0.2 -0.981 18.4-152.5-111.5 115.9 26.3 36.4 20.6 51 51 A I E -J 144 0B 0 93,-2.5 93,-2.6 -2,-0.6 2,-0.4 -0.798 9.3-166.1 -95.3 133.2 29.8 34.9 20.9 52 52 A N E +J 143 0B 40 133,-2.7 133,-2.5 -2,-0.4 2,-0.3 -0.923 16.4 159.4-116.1 142.7 32.3 35.0 18.0 53 53 A Y E -JK 142 184B 4 89,-2.3 89,-3.4 -2,-0.4 2,-0.3 -0.986 28.1-158.0-157.2 161.6 35.4 32.9 17.8 54 54 A N E - K 0 183B 35 129,-1.8 129,-2.1 -2,-0.3 2,-1.1 -0.915 12.8-154.4-143.9 113.0 38.0 31.5 15.5 55 55 A A E - K 0 182B 0 85,-0.5 84,-0.8 -2,-0.3 127,-0.3 -0.810 11.6-177.7 -92.2 98.1 40.0 28.5 16.6 56 56 A G E S+ 0 0 51 -2,-1.1 2,-0.4 125,-0.9 -1,-0.2 0.768 77.6 25.5 -64.5 -30.5 43.2 28.8 14.6 57 57 A V E + K 0 181B 66 124,-1.9 124,-2.3 -3,-0.1 2,-0.3 -0.991 60.4 166.9-136.8 127.2 44.5 25.6 16.1 58 58 A W E + K 0 180B 33 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.814 19.7 148.0-139.3 96.1 42.3 22.8 17.5 59 59 A A E + K 0 179B 45 120,-2.8 120,-1.2 -2,-0.3 2,-0.3 -0.538 14.0 171.5-133.9 64.2 44.5 19.7 18.0 60 60 A P E - K 0 178B 24 0, 0.0 2,-0.4 0, 0.0 118,-0.3 -0.603 19.9-161.0 -76.8 138.4 43.4 17.6 21.0 61 61 A N E S- K 0 177B 132 116,-3.1 116,-0.7 -2,-0.3 2,-0.3 -0.618 76.2 -15.1-111.6 59.2 45.2 14.2 21.3 62 62 A G S S+ 0 0 12 -2,-0.4 25,-1.3 114,-0.2 2,-0.6 -0.969 120.5 3.8 145.3-150.8 42.5 12.7 23.5 63 63 A N S S+ 0 0 30 111,-0.4 111,-2.0 -2,-0.3 2,-0.3 -0.557 75.9 131.6 -76.9 110.0 39.5 14.0 25.5 64 64 A G E -C 173 0A 0 -2,-0.6 22,-1.4 109,-0.2 2,-0.4 -0.972 38.1-146.7-156.5 147.3 39.1 17.8 25.0 65 65 A Y E -CD 172 85A 24 107,-2.7 107,-2.1 -2,-0.3 2,-0.7 -0.947 9.1-155.2-121.8 141.9 36.2 20.2 24.3 66 66 A L E +CD 171 84A 0 18,-2.6 17,-2.1 -2,-0.4 18,-1.6 -0.957 50.8 145.7-109.8 109.1 36.1 23.4 22.3 67 67 A T E -CD 170 82A 1 103,-2.4 103,-3.1 -2,-0.7 2,-0.3 -0.984 61.1-110.1-154.7 148.8 33.0 24.9 24.0 68 68 A L E -CD 169 81A 0 13,-2.5 13,-1.6 -2,-0.3 2,-0.4 -0.653 50.3-172.7 -72.6 141.6 31.1 28.0 25.2 69 69 A Y E +CD 168 80A 9 99,-2.9 99,-3.0 -2,-0.3 2,-0.3 -0.999 15.7 132.0-145.5 137.6 31.3 27.5 29.0 70 70 A G E -CD 167 79A 0 9,-1.7 9,-2.6 -2,-0.4 2,-0.3 -0.984 32.0-125.9-169.5 178.8 29.8 29.3 31.9 71 71 A W E - 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