==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-OCT-12 3VZO . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR M.L.LUDWICZEK,I.D'ANGELO,G.N.YALLOWAY,M.OKON,J.E.NIELSEN, . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 76.8 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 . 88 47.6 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 . 1 0.5 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-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 81 0, 0.0 2,-0.3 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 148.8 30.3 -15.8 -10.0 2 2 A S - 0 0 113 183,-0.1 2,-0.3 21,-0.0 183,-0.1 -0.614 360.0-128.1 -70.0 133.6 30.5 -13.5 -7.0 3 3 A T - 0 0 27 -2,-0.3 39,-0.2 181,-0.3 3,-0.0 -0.668 23.1-174.3 -80.2 143.2 27.5 -11.2 -6.9 4 4 A D + 0 0 102 37,-1.7 2,-0.4 -2,-0.3 38,-0.2 0.382 58.0 71.0-117.2 1.9 28.4 -7.5 -6.6 5 5 A Y E -A 41 0A 77 36,-2.2 36,-1.9 162,-0.1 2,-0.6 -0.975 54.5-160.1-131.1 137.9 24.9 -5.9 -6.2 6 6 A W E -A 40 0A 68 -2,-0.4 2,-0.6 34,-0.2 34,-0.2 -0.963 12.2-161.4-115.6 110.4 22.3 -5.9 -3.5 7 7 A Q E +A 39 0A 9 32,-2.7 32,-2.5 -2,-0.6 2,-0.2 -0.842 23.0 156.1 -92.7 123.5 18.8 -5.0 -4.7 8 8 A N E +A 38 0A 77 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.621 9.0 156.2-152.6 84.5 16.5 -3.9 -1.9 9 9 A W E +A 37 0A 80 28,-2.7 28,-2.4 -2,-0.2 2,-0.3 -0.941 7.2 167.1-115.2 132.6 13.6 -1.6 -2.8 10 10 A T E -A 36 0A 58 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.993 35.9-143.1-136.2 146.8 10.3 -1.1 -1.0 11 11 A D - 0 0 89 24,-2.3 25,-0.1 -2,-0.3 -1,-0.0 0.445 61.3-102.5 -83.9 -0.1 7.6 1.5 -1.6 12 12 A G S S+ 0 0 59 1,-0.3 2,-0.2 23,-0.3 24,-0.1 0.315 74.7 138.3 101.8 -5.1 7.2 1.4 2.3 13 13 A G - 0 0 24 22,-0.2 21,-1.2 2,-0.1 -1,-0.3 -0.509 68.9 -31.1 -71.5 136.7 4.1 -0.7 2.8 14 14 A G S S- 0 0 49 19,-0.3 2,-0.4 -2,-0.2 18,-0.2 -0.111 101.6 -40.3 60.0-147.3 4.1 -3.3 5.6 15 15 A I E -H 31 0B 95 16,-2.7 16,-2.9 19,-0.1 2,-0.5 -0.966 43.2-176.6-126.1 127.9 7.4 -5.0 6.6 16 16 A V E -H 30 0B 28 -2,-0.4 2,-1.1 14,-0.2 14,-0.2 -0.918 8.6-166.4-121.4 102.7 10.1 -6.3 4.4 17 17 A N E -H 29 0B 88 12,-3.0 12,-2.0 -2,-0.5 2,-0.5 -0.771 16.0-178.3 -93.0 94.6 12.8 -8.0 6.4 18 18 A A E -H 28 0B 29 -2,-1.1 2,-0.6 10,-0.2 10,-0.2 -0.870 10.4-161.9-105.5 120.4 15.7 -8.3 3.8 19 19 A V E -H 27 0B 74 8,-2.8 8,-1.5 -2,-0.5 2,-1.3 -0.896 12.4-151.9-108.8 116.6 18.9 -10.0 4.8 20 20 A N E -H 26 0B 88 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.727 35.9-173.3 -82.0 94.0 22.0 -9.4 2.8 21 21 A G - 0 0 22 -2,-1.3 2,-0.1 4,-1.1 5,-0.1 0.117 29.5 -55.2 -83.0-167.3 23.6 -12.7 3.6 22 22 A S S > S- 0 0 103 2,-0.1 3,-2.4 4,-0.0 -1,-0.2 -0.453 99.0 -28.1 -75.7 142.4 27.0 -14.3 2.9 23 23 A G T 3 S- 0 0 64 1,-0.3 162,-0.1 -2,-0.1 -21,-0.0 -0.276 132.6 -15.8 58.2-127.3 28.2 -14.5 -0.7 24 24 A G T 3 S+ 0 0 13 160,-0.1 160,-1.6 16,-0.1 2,-0.3 0.255 110.7 115.6 -90.4 12.2 25.3 -14.7 -3.2 25 25 A N E < + I 0 183B 37 -3,-2.4 -4,-1.1 158,-0.2 2,-0.3 -0.626 33.1 159.6 -90.4 138.5 22.8 -15.6 -0.4 26 26 A Y E -HI 20 182B 0 156,-2.6 156,-2.5 -2,-0.3 2,-0.3 -0.976 18.3-157.2-147.1 164.5 19.9 -13.5 0.7 27 27 A S E -HI 19 181B 18 -8,-1.5 -8,-2.8 -2,-0.3 2,-0.4 -0.972 1.7-162.5-139.5 150.9 16.6 -14.0 2.6 28 28 A V E -HI 18 180B 0 152,-2.6 152,-2.6 -2,-0.3 2,-0.4 -0.999 8.1-178.0-134.9 132.4 13.4 -12.1 2.8 29 29 A N E -HI 17 179B 74 -12,-2.0 -12,-3.0 -2,-0.4 2,-0.3 -0.969 22.2-178.1-121.9 115.1 10.6 -12.3 5.3 30 30 A W E -HI 16 178B 8 148,-2.7 148,-2.5 -2,-0.4 2,-0.4 -0.866 13.3-168.4-119.9 151.4 7.8 -10.0 4.4 31 31 A S E -H 15 0B 43 -16,-2.9 -16,-2.7 -2,-0.3 146,-0.2 -0.980 65.6 -27.2-143.2 124.3 4.5 -9.1 5.9 32 32 A N S S+ 0 0 123 -2,-0.4 145,-0.2 -18,-0.2 -1,-0.1 0.848 89.0 178.8 46.7 49.9 1.4 -7.2 4.6 33 33 A T - 0 0 7 143,-2.2 -19,-0.3 -19,-0.2 142,-0.1 -0.130 36.7-143.8 -80.5 167.7 3.6 -5.3 2.2 34 34 A G S S- 0 0 12 -21,-1.2 141,-1.8 1,-0.2 2,-0.4 0.332 71.8 -36.5 -84.5-125.6 3.0 -2.7 -0.5 35 35 A H E S+ B 0 174A 25 139,-0.2 -24,-2.3 140,-0.1 -23,-0.3 -0.864 70.8 160.9-102.6 136.5 5.4 -3.3 -3.5 36 36 A F E -AB 10 173A 0 137,-2.1 137,-1.9 -2,-0.4 2,-0.4 -0.991 23.6-164.9-151.6 155.6 9.0 -4.5 -3.1 37 37 A V E +AB 9 172A 1 -28,-2.4 -28,-2.7 -2,-0.3 2,-0.4 -0.955 16.2 173.2-143.3 120.4 11.8 -6.2 -5.0 38 38 A V E +AB 8 171A 0 133,-2.7 133,-3.2 -2,-0.4 2,-0.3 -0.987 17.4 122.1-127.3 137.0 14.8 -7.7 -3.3 39 39 A G E -AB 7 170A 0 -32,-2.5 -32,-2.7 -2,-0.4 2,-0.4 -0.993 45.9-109.0-172.9 177.3 17.6 -9.7 -4.8 40 40 A K E +AB 6 169A 5 129,-1.4 129,-2.8 -2,-0.3 2,-0.2 -0.961 54.1 96.3-123.4 148.6 21.3 -10.4 -5.5 41 41 A G E -AB 5 168A 0 -36,-1.9 -36,-2.2 -2,-0.4 -37,-1.7 -0.787 64.5 -27.8 177.2-133.4 23.2 -10.1 -8.8 42 42 A W E - B 0 167A 9 125,-3.0 125,-2.2 -2,-0.2 3,-0.1 -0.912 31.6-136.5-128.8 143.5 25.3 -7.7 -10.7 43 43 A T S S+ 0 0 67 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.823 101.4 38.5 -64.5 -36.2 25.7 -3.9 -10.9 44 44 A T S S- 0 0 89 123,-0.1 -1,-0.2 122,-0.1 122,-0.2 -0.955 84.1-145.6-124.0 110.5 25.9 -4.0 -14.7 45 45 A G - 0 0 5 120,-3.0 119,-0.2 -2,-0.5 121,-0.1 -0.218 11.4-157.9 -68.2 163.2 23.6 -6.5 -16.5 46 46 A S > - 0 0 29 1,-0.0 3,-1.1 3,-0.0 100,-0.1 -0.993 25.7-138.0-143.3 142.0 24.7 -8.3 -19.7 47 47 A P T 3 S+ 0 0 28 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.540 109.2 55.8 -73.9 -5.4 22.7 -10.0 -22.5 48 48 A F T 3 S+ 0 0 163 98,-0.1 99,-0.1 99,-0.1 98,-0.1 0.408 80.9 121.7-101.0 -5.5 25.3 -12.7 -22.3 49 49 A R < - 0 0 60 -3,-1.1 97,-0.9 97,-0.1 2,-0.5 -0.325 48.3-155.3 -67.5 143.6 25.0 -13.5 -18.6 50 50 A T E -J 145 0B 70 95,-0.2 2,-0.5 96,-0.1 95,-0.2 -0.985 17.0-155.5-113.2 116.3 24.1 -17.0 -17.4 51 51 A I E -J 144 0B 0 93,-2.3 93,-3.0 -2,-0.5 2,-0.4 -0.841 8.9-168.5 -99.9 126.8 22.4 -16.7 -14.0 52 52 A N E +J 143 0B 39 133,-2.9 133,-2.7 -2,-0.5 2,-0.3 -0.877 14.6 160.9-110.2 146.4 22.5 -19.6 -11.5 53 53 A Y E -JK 142 184B 3 89,-2.4 89,-2.6 -2,-0.4 2,-0.3 -0.989 29.4-153.6-156.3 163.6 20.5 -19.8 -8.3 54 54 A N E - K 0 183B 35 129,-2.0 129,-2.0 -2,-0.3 2,-1.2 -0.918 12.2-154.3-142.7 112.3 19.1 -22.2 -5.7 55 55 A A E + K 0 182B 0 85,-0.4 127,-0.3 -2,-0.3 3,-0.2 -0.767 14.9 178.6 -88.9 92.6 15.9 -21.1 -3.9 56 56 A G E S+ 0 0 52 -2,-1.2 2,-0.4 125,-0.8 -1,-0.2 0.840 78.0 29.1 -64.2 -33.9 16.4 -23.0 -0.6 57 57 A V E + K 0 181B 63 124,-2.1 124,-2.3 -3,-0.2 2,-0.4 -0.976 61.1 168.4-127.3 120.9 13.1 -21.5 0.6 58 58 A W E + K 0 180B 38 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.882 23.4 144.8-123.1 98.3 10.3 -20.5 -1.8 59 59 A A E + K 0 179B 45 120,-2.3 120,-1.5 -2,-0.4 121,-0.1 -0.369 14.5 167.6-137.1 56.9 7.4 -19.8 0.5 60 60 A P E - K 0 178B 25 0, 0.0 118,-0.3 0, 0.0 2,-0.2 -0.413 20.7-161.3 -69.2 149.5 5.2 -16.9 -0.7 61 61 A N E S- K 0 177B 135 116,-2.9 116,-1.1 2,-0.1 2,-0.3 -0.620 73.8 -12.0-126.2 68.1 1.9 -16.6 1.1 62 62 A G S S+ 0 0 14 114,-0.2 25,-1.3 -2,-0.2 2,-0.6 -0.949 121.3 0.5 138.8-154.2 0.1 -14.5 -1.5 63 63 A N S S+ 0 0 32 111,-0.4 111,-1.7 -2,-0.3 2,-0.3 -0.574 76.7 136.3 -75.5 110.2 1.3 -12.6 -4.6 64 64 A G E -C 173 0A 0 -2,-0.6 22,-1.6 109,-0.2 2,-0.4 -0.983 36.7-146.8-150.7 149.2 5.1 -13.0 -5.0 65 65 A Y E -CD 172 85A 27 107,-2.8 107,-2.2 -2,-0.3 2,-0.6 -0.969 6.9-155.8-119.5 141.0 7.5 -13.7 -7.9 66 66 A L E +CD 171 84A 0 18,-2.9 17,-2.5 -2,-0.4 18,-1.6 -0.962 49.5 143.8-107.3 107.7 10.8 -15.6 -8.0 67 67 A T E -CD 170 82A 0 103,-2.4 103,-3.3 -2,-0.6 15,-0.3 -0.997 62.6-107.6-156.0 141.7 12.4 -14.0 -11.0 68 68 A L E -CD 169 81A 0 13,-2.6 13,-1.7 -2,-0.3 2,-0.4 -0.563 50.6-173.3 -63.2 140.2 15.4 -12.7 -12.9 69 69 A Y E +CD 168 80A 8 99,-2.9 99,-3.0 11,-0.2 2,-0.3 -0.997 15.0 131.2-147.6 132.9 14.9 -9.0 -12.7 70 70 A G E -CD 167 79A 0 9,-1.8 9,-2.7 -2,-0.4 2,-0.3 -0.983 33.4-123.4-169.6 179.7 16.7 -6.1 -14.2 71 71 A W E - 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