==== 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 14-OCT-12 3VZJ . 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, . 740 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 337 45.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 3 0.4 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 . 91 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 2 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 4 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 . 5 0 0 2 5 15 5 8 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 3 1 0 0 4 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 66 0, 0.0 2,-0.2 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 113.3 -30.9 8.8 -20.0 2 2 A S - 0 0 80 183,-0.2 183,-0.1 1,-0.1 2,-0.1 -0.414 360.0-132.3 -64.7 128.8 -31.3 5.7 -22.3 3 3 A T - 0 0 27 181,-0.3 39,-0.2 -2,-0.2 -1,-0.1 -0.381 24.7-178.1 -86.5 161.9 -28.5 5.7 -24.9 4 4 A D + 0 0 97 37,-4.4 2,-0.3 1,-0.1 38,-0.3 0.571 54.9 73.9-136.3 -19.8 -29.0 5.2 -28.6 5 5 A Y E -A 41 0A 66 36,-4.2 36,-2.2 162,-0.2 2,-0.4 -0.785 51.5-168.7-102.1 146.4 -25.6 5.2 -30.4 6 6 A W E -A 40 0A 68 -2,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.998 4.5-164.7-133.9 132.6 -22.9 2.5 -30.4 7 7 A Q E +A 39 0A 18 32,-2.3 32,-1.7 -2,-0.4 2,-0.2 -0.955 17.9 160.9-120.2 127.2 -19.4 2.9 -31.7 8 8 A N E +A 38 0A 73 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.671 15.8 159.7-146.1 91.0 -16.9 0.2 -32.5 9 9 A W E +A 37 0A 102 28,-3.3 28,-1.9 -2,-0.2 2,-0.3 -0.820 9.5 173.2-110.7 151.3 -14.1 1.2 -34.8 10 10 A T E -A 36 0A 59 -2,-0.3 26,-0.3 26,-0.2 4,-0.1 -0.971 34.4-139.7-151.9 139.9 -10.7 -0.4 -35.3 11 11 A D - 0 0 69 24,-3.3 25,-0.1 -2,-0.3 3,-0.1 0.765 59.9-104.3 -72.1 -22.0 -8.0 0.4 -37.8 12 12 A G S S+ 0 0 57 23,-0.4 2,-0.3 1,-0.3 4,-0.1 0.013 83.6 112.1 128.2 -27.1 -7.6 -3.4 -38.1 13 13 A G S S- 0 0 33 22,-0.1 21,-1.4 2,-0.1 -1,-0.3 -0.602 74.4 -8.0 -88.8 138.2 -4.4 -4.1 -36.2 14 14 A G S S- 0 0 37 -2,-0.3 2,-0.4 19,-0.3 18,-0.2 -0.519 99.3 -49.0 81.1-154.1 -4.2 -6.1 -32.9 15 15 A I E +H 31 0B 83 16,-1.4 16,-1.2 -2,-0.2 2,-0.4 -0.970 39.0 176.0-126.6 136.0 -7.4 -7.1 -31.1 16 16 A V E -H 30 0B 30 -2,-0.4 2,-1.0 14,-0.2 14,-0.2 -0.882 5.3-177.5-132.7 104.0 -10.5 -5.2 -30.0 17 17 A N E +H 29 0B 78 12,-1.7 12,-1.3 -2,-0.4 2,-0.6 -0.765 17.3 176.9 -99.6 82.4 -13.0 -7.6 -28.3 18 18 A A E -H 28 0B 18 -2,-1.0 2,-0.6 10,-0.2 10,-0.2 -0.808 14.4-157.5 -99.1 118.9 -15.8 -5.0 -27.7 19 19 A V E -H 27 0B 67 8,-2.2 8,-1.0 -2,-0.6 2,-0.8 -0.833 6.6-156.1-103.8 114.6 -19.0 -6.2 -26.2 20 20 A N E +H 26 0B 87 -2,-0.6 6,-0.2 6,-0.2 2,-0.1 -0.784 34.1 162.9 -81.1 108.5 -22.3 -4.3 -26.7 21 21 A G - 0 0 13 4,-1.7 2,-0.6 -2,-0.8 624,-0.1 -0.118 40.7 -20.8-110.6-149.2 -24.4 -5.4 -23.7 22 22 A S S > S- 0 0 12 622,-0.7 3,-1.4 621,-0.2 2,-0.5 -0.420 100.6 -52.8 -69.9 110.4 -27.5 -4.3 -21.9 23 23 A G T 3 S- 0 0 28 -2,-0.6 594,-0.1 1,-0.3 596,-0.1 -0.507 124.9 -0.7 76.3-114.8 -28.3 -0.6 -22.3 24 24 A G T 3 S+ 0 0 3 594,-0.6 160,-2.2 -2,-0.5 2,-0.4 0.431 105.0 110.7 -94.0 -0.3 -25.5 1.8 -21.5 25 25 A N E < + I 0 183B 10 -3,-1.4 -4,-1.7 593,-0.4 2,-0.3 -0.625 36.7 158.8 -79.9 126.0 -23.0 -1.0 -20.6 26 26 A Y E -HI 20 182B 0 156,-1.9 156,-1.4 -2,-0.4 2,-0.3 -0.930 14.7-168.6-137.5 167.5 -20.0 -1.7 -22.8 27 27 A S E -HI 19 181B 25 -8,-1.0 -8,-2.2 -2,-0.3 2,-0.4 -0.994 5.5-157.7-156.1 154.2 -16.6 -3.4 -22.5 28 28 A V E -HI 18 180B 0 152,-1.7 152,-1.4 -2,-0.3 2,-0.5 -0.994 9.3-173.7-140.4 128.7 -13.4 -3.9 -24.4 29 29 A N E +HI 17 179B 75 -12,-1.3 -12,-1.7 -2,-0.4 2,-0.4 -0.911 25.5 177.4-117.2 102.0 -10.6 -6.4 -24.2 30 30 A W E +HI 16 178B 5 148,-2.1 148,-2.7 -2,-0.5 2,-0.3 -0.849 10.2 175.5-115.5 144.2 -7.8 -5.2 -26.5 31 31 A S E +H 15 0B 54 -16,-1.2 -16,-1.4 -2,-0.4 146,-0.2 -0.957 65.7 0.5-150.5 125.2 -4.4 -6.7 -27.3 32 32 A N S S- 0 0 120 -2,-0.3 145,-0.2 -18,-0.2 -1,-0.1 0.867 90.1-173.1 71.2 41.2 -1.6 -5.7 -29.7 33 33 A T - 0 0 8 143,-1.9 -19,-0.3 -19,-0.2 -1,-0.1 0.009 37.2-177.5 -76.0 166.8 -3.5 -2.7 -31.0 34 34 A G S S- 0 0 8 -21,-1.4 141,-1.8 1,-0.1 2,-0.4 0.463 72.9 -23.2-108.4 -88.8 -3.2 -0.1 -33.8 35 35 A N E S+ B 0 174A 47 139,-0.2 -24,-3.3 -22,-0.1 -23,-0.4 -0.994 71.7 156.3-128.7 130.7 -6.1 2.4 -33.6 36 36 A F E -AB 10 173A 2 137,-1.1 137,-1.6 -2,-0.4 2,-0.3 -0.997 20.4-169.2-155.4 151.5 -9.5 1.8 -32.1 37 37 A V E +AB 9 172A 2 -28,-1.9 -28,-3.3 -2,-0.3 2,-0.4 -0.984 6.0 176.3-140.7 135.9 -12.6 3.4 -30.5 38 38 A V E +AB 8 171A 0 133,-0.9 133,-2.3 -2,-0.3 2,-0.3 -0.995 17.5 148.6-133.0 137.1 -15.6 2.0 -28.6 39 39 A G E -AB 7 170A 0 -32,-1.7 -32,-2.3 -2,-0.4 2,-0.3 -0.898 31.5-143.9-173.3 139.4 -18.4 4.1 -27.1 40 40 A K E +AB 6 169A 6 129,-0.7 129,-1.7 -2,-0.3 2,-0.3 -0.727 51.9 78.8-102.0 153.1 -22.1 4.2 -26.2 41 41 A G E S-AB 5 168A 0 -36,-2.2 -37,-4.4 -2,-0.3 -36,-4.2 -0.909 70.8 -16.4 159.6-126.1 -24.3 7.2 -26.3 42 42 A W E - B 0 167A 17 125,-1.6 125,-2.1 -2,-0.3 -39,-0.1 -0.876 34.0-138.4-132.1 148.9 -26.3 9.3 -28.7 43 43 A T S S+ 0 0 46 -2,-0.3 2,-0.5 123,-0.2 -1,-0.1 0.785 97.0 47.6 -82.2 -31.1 -26.4 9.8 -32.5 44 44 A T S S- 0 0 20 123,-0.1 122,-0.2 122,-0.1 -1,-0.2 -0.967 88.0-135.8-108.2 120.9 -26.8 13.6 -32.4 45 45 A G - 0 0 3 120,-2.3 119,-0.1 -2,-0.5 121,-0.1 -0.438 16.6-159.7 -70.0 145.2 -24.3 15.3 -30.1 46 46 A S - 0 0 28 -2,-0.1 3,-0.1 1,-0.1 100,-0.1 -0.938 18.8-153.4-118.8 150.8 -25.6 18.0 -27.8 47 47 A P S S+ 0 0 26 0, 0.0 103,-0.2 0, 0.0 102,-0.1 0.368 96.9 62.4 -95.6 5.2 -23.5 20.6 -26.1 48 48 A F S S+ 0 0 65 98,-0.1 99,-0.1 99,-0.1 100,-0.1 0.482 82.0 121.6-105.6 -4.8 -26.1 20.8 -23.4 49 49 A R - 0 0 51 -3,-0.1 97,-1.3 97,-0.1 98,-0.8 -0.016 50.5-155.2 -60.1 155.0 -25.7 17.3 -22.3 50 50 A T E -K 145 0C 5 95,-0.2 2,-0.3 96,-0.1 95,-0.2 -0.982 21.4-154.6-124.1 117.3 -24.7 15.9 -18.9 51 51 A I E -K 144 0C 0 93,-1.8 93,-1.6 -2,-0.4 2,-0.5 -0.744 4.9-158.7 -96.9 142.8 -23.2 12.5 -19.4 52 52 A N E +K 143 0C 22 133,-2.4 133,-1.4 -2,-0.3 2,-0.2 -0.941 22.3 158.6-122.5 108.2 -23.3 9.9 -16.7 53 53 A Y E -KL 142 184C 4 89,-0.7 89,-2.4 -2,-0.5 131,-0.2 -0.749 24.9-160.9-117.2 174.3 -20.7 7.1 -16.8 54 54 A N - 0 0 34 129,-0.7 2,-0.9 -2,-0.2 87,-0.1 -0.605 11.2-153.5-154.6 88.5 -19.3 4.7 -14.2 55 55 A A + 0 0 0 85,-0.3 84,-3.0 127,-0.2 127,-0.3 -0.528 20.4 170.8 -69.3 102.6 -16.0 3.0 -15.1 56 56 A G S S+ 0 0 49 125,-2.5 2,-0.4 -2,-0.9 -1,-0.2 0.753 75.0 31.1 -87.0 -30.4 -16.0 -0.3 -13.2 57 57 A V E +J 181 0B 63 124,-1.6 124,-1.3 -3,-0.1 -1,-0.3 -0.998 64.5 160.5-121.3 131.5 -12.9 -1.7 -14.9 58 58 A W E +J 180 0B 32 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.625 16.8 144.5-144.5 84.3 -10.3 0.8 -16.1 59 59 A A E +J 179 0B 48 120,-3.2 120,-1.8 -2,-0.1 2,-0.1 -0.702 20.3 178.9-131.1 80.9 -7.1 -1.1 -16.6 60 60 A P E -J 178 0B 28 0, 0.0 2,-0.3 0, 0.0 118,-0.2 -0.472 23.2-153.8 -75.1 149.8 -4.9 0.1 -19.5 61 61 A N E S-J 177 0B 122 116,-2.6 116,-1.1 -2,-0.1 2,-0.4 -0.693 75.8 -33.3-112.8 71.9 -1.6 -1.4 -20.4 62 62 A G S S+ 0 0 15 -2,-0.3 25,-3.0 114,-0.2 2,-1.1 -0.953 118.1 23.3 126.0-139.0 -0.2 1.7 -22.1 63 63 A N S S+ 0 0 27 -2,-0.4 111,-0.9 111,-0.4 2,-0.3 -0.578 75.5 140.5 -78.9 98.1 -1.7 4.5 -24.1 64 64 A G E -C 173 0A 0 -2,-1.1 22,-0.8 109,-0.2 2,-0.4 -0.933 34.1-158.7-136.5 158.0 -5.4 4.8 -23.3 65 65 A Y E -CD 172 85A 29 107,-1.2 107,-3.1 -2,-0.3 2,-1.0 -0.985 12.4-159.2-134.1 125.3 -8.1 7.4 -22.7 66 66 A L E +CD 171 84A 1 18,-1.1 17,-1.7 -2,-0.4 18,-0.8 -0.885 51.3 158.7 -87.2 93.7 -11.3 7.0 -20.9 67 67 A T E -CD 170 82A 0 103,-1.7 103,-2.8 -2,-1.0 2,-0.2 -0.966 56.2-115.0-135.0 139.1 -12.7 10.0 -22.7 68 68 A L E -CD 169 81A 0 13,-1.7 13,-1.2 -2,-0.4 2,-0.4 -0.500 47.8-169.2 -54.1 125.3 -15.9 11.7 -23.8 69 69 A Y E +CD 168 80A 10 99,-3.8 99,-3.4 -2,-0.2 2,-0.3 -0.980 15.9 141.9-132.1 138.7 -15.6 11.4 -27.5 70 70 A G E -CD 167 79A 0 9,-1.6 9,-1.4 -2,-0.4 2,-0.3 -0.951 28.6-131.5-162.8-177.4 -17.6 13.1 -30.3 71 71 A W E - D 0 78A 5 95,-1.5 94,-1.8 -2,-0.3 2,-0.3 -0.984 12.5-176.8-147.3 149.9 -17.8 14.7 -33.7 72 72 A T E > -CD 164 77A 0 5,-1.2 5,-1.0 -2,-0.3 2,-0.3 -0.898 13.8-138.0-140.2 178.4 -19.2 17.7 -35.6 73 73 A R E 5 +C 163 0A 55 90,-1.8 90,-1.6 -2,-0.3 89,-0.5 -0.977 66.6 57.5-140.2 151.3 -19.5 19.2 -39.1 74 74 A S T 5S+ 0 0 96 -2,-0.3 88,-1.3 87,-0.2 -1,-0.2 0.980 132.4 25.2 49.1 65.6 -19.1 22.6 -40.7 75 75 A P T 5S- 0 0 74 0, 0.0 86,-0.4 0, 0.0 2,-0.2 0.474 105.5-129.9-103.8 161.8 -16.7 22.5 -39.5 76 76 A L T 5 + 0 0 27 -3,-0.1 50,-1.4 48,-0.1 2,-0.4 -0.382 39.1 170.9 -52.9 116.3 -15.4 18.9 -39.0 77 77 A I E < -De 72 126A 1 -5,-1.0 -5,-1.2 -2,-0.2 2,-0.5 -0.972 23.0-163.9-141.0 119.4 -14.2 18.8 -35.4 78 78 A E E -De 71 127A 16 48,-1.7 50,-0.6 -2,-0.4 2,-0.3 -0.907 25.7-178.1-101.8 127.6 -13.2 15.8 -33.4 79 79 A Y E -De 70 128A 0 -9,-1.4 -9,-1.6 -2,-0.5 2,-0.3 -0.887 15.9-169.6-135.4 162.3 -13.2 16.5 -29.7 80 80 A Y E -De 69 129A 10 48,-1.9 50,-1.2 -2,-0.3 2,-0.3 -0.928 20.0-163.9-140.2 156.1 -12.4 15.1 -26.3 81 81 A V E -De 68 130A 0 -13,-1.2 -13,-1.7 -2,-0.3 2,-0.6 -0.794 30.4-155.5-138.3 101.8 -12.8 15.6 -22.6 82 82 A V E +De 67 131A 0 48,-2.3 50,-2.1 -2,-0.3 -15,-0.2 -0.657 22.7 175.5 -92.1 118.8 -10.3 13.1 -21.0 83 83 A D E - 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