==== 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 3VZK . 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, . 366 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 47.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 1 0.3 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 . 37 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 2 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 2 0 6 2 7 2 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 2 0 0 2 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,-0.2 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 150.9 -28.7 -10.5 -23.4 2 2 A S - 0 0 113 183,-0.2 2,-0.2 1,-0.0 183,-0.1 -0.579 360.0-127.0 -75.3 144.5 -28.9 -13.8 -21.6 3 3 A T - 0 0 31 -2,-0.2 39,-0.2 181,-0.2 3,-0.1 -0.555 22.6-176.3 -90.0 148.2 -26.2 -14.6 -19.1 4 4 A D + 0 0 104 37,-2.7 2,-0.4 -2,-0.2 38,-0.2 0.332 59.2 66.7-124.0 5.4 -24.3 -17.9 -19.3 5 5 A Y E -A 41 0A 71 36,-2.0 36,-2.0 162,-0.1 2,-0.5 -0.994 53.8-162.3-136.2 135.9 -22.0 -17.8 -16.2 6 6 A W E -A 40 0A 69 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.979 10.7-162.8-117.3 117.6 -22.6 -17.9 -12.5 7 7 A Q E +A 39 0A 16 32,-3.0 32,-2.5 -2,-0.5 2,-0.3 -0.908 21.6 156.2-101.5 120.2 -19.7 -16.7 -10.3 8 8 A N E +A 38 0A 78 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.754 12.8 153.5-147.9 98.0 -19.9 -17.8 -6.6 9 9 A W E +A 37 0A 89 28,-2.2 28,-2.3 -2,-0.3 2,-0.3 -0.988 16.2 178.8-134.9 140.2 -16.6 -17.9 -4.7 10 10 A T E -A 36 0A 56 -2,-0.4 26,-0.2 26,-0.2 4,-0.1 -0.983 30.6-140.3-136.8 143.3 -15.7 -17.5 -1.1 11 11 A D - 0 0 77 24,-2.4 25,-0.1 -2,-0.3 3,-0.1 0.393 62.2-100.0 -85.4 7.9 -12.2 -17.9 0.4 12 12 A G S S+ 0 0 60 23,-0.3 2,-0.4 1,-0.3 24,-0.1 0.181 82.4 131.6 96.8 -9.8 -14.0 -19.6 3.2 13 13 A G - 0 0 24 22,-0.3 21,-1.5 2,-0.1 -1,-0.3 -0.593 69.9 -31.0 -85.0 131.7 -14.2 -16.9 5.7 14 14 A G S S- 0 0 49 -2,-0.4 2,-0.5 19,-0.3 18,-0.2 -0.089 97.6 -41.7 60.9-155.0 -17.5 -16.2 7.3 15 15 A I E -H 31 0B 87 16,-2.5 16,-2.6 19,-0.0 2,-0.5 -0.910 43.7-179.8-116.6 128.3 -20.9 -16.7 5.6 16 16 A V E -H 30 0B 26 -2,-0.5 2,-0.9 14,-0.2 14,-0.2 -0.972 5.9-171.0-126.2 107.6 -21.8 -16.0 2.0 17 17 A N E +H 29 0B 102 12,-3.1 12,-1.9 -2,-0.5 2,-0.4 -0.857 16.1 176.0-101.7 96.4 -25.4 -16.9 1.1 18 18 A A E -H 28 0B 23 -2,-0.9 2,-0.5 10,-0.2 10,-0.2 -0.858 15.2-158.1-107.2 136.2 -25.5 -16.4 -2.6 19 19 A V E -H 27 0B 81 8,-2.4 8,-1.5 -2,-0.4 2,-1.4 -0.962 13.0-143.9-120.1 123.6 -28.7 -17.3 -4.6 20 20 A N E -H 26 0B 93 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.669 38.4-166.3 -84.9 96.7 -28.5 -18.0 -8.3 21 21 A G - 0 0 19 -2,-1.4 5,-0.1 4,-1.0 2,-0.0 0.077 28.0 -53.4 -82.0-174.6 -31.8 -16.4 -9.3 22 22 A S S > S- 0 0 108 2,-0.1 3,-2.7 161,-0.0 -1,-0.2 -0.356 99.8 -38.6 -59.9 134.8 -34.0 -16.4 -12.3 23 23 A G T 3 S- 0 0 64 1,-0.3 162,-0.1 -3,-0.1 -21,-0.0 -0.229 133.4 -7.7 56.7-119.0 -32.3 -15.5 -15.6 24 24 A G T 3 S+ 0 0 13 160,-0.1 160,-1.7 16,-0.1 -1,-0.3 0.335 111.6 108.8 -90.9 4.1 -29.8 -12.7 -14.9 25 25 A N E < + I 0 183B 42 -3,-2.7 -4,-1.0 158,-0.3 2,-0.3 -0.569 36.0 155.2 -89.7 149.6 -30.9 -12.1 -11.3 26 26 A Y E -HI 20 182B 0 156,-2.3 156,-2.5 -2,-0.2 2,-0.3 -0.980 22.5-149.0-158.1 164.5 -29.0 -13.0 -8.1 27 27 A S E -HI 19 181B 18 -8,-1.5 -8,-2.4 -2,-0.3 2,-0.4 -0.959 3.1-161.8-133.9 152.6 -28.7 -12.1 -4.4 28 28 A V E +HI 18 180B 0 152,-2.3 152,-2.5 -2,-0.3 2,-0.4 -0.988 7.9 178.5-132.4 133.6 -26.0 -12.1 -1.9 29 29 A N E +HI 17 179B 68 -12,-1.9 -12,-3.1 -2,-0.4 2,-0.3 -0.998 18.8 179.6-131.9 119.7 -26.4 -11.9 1.9 30 30 A W E -HI 16 178B 9 148,-2.6 148,-2.5 -2,-0.4 2,-0.4 -0.905 16.2-163.3-130.7 152.3 -23.1 -12.1 3.7 31 31 A S E -H 15 0B 56 -16,-2.6 -16,-2.5 -2,-0.3 146,-0.2 -0.980 68.1 -26.1-143.4 121.1 -22.0 -12.0 7.3 32 32 A N S S+ 0 0 39 -2,-0.4 145,-0.2 241,-0.2 143,-0.1 0.859 89.2 178.4 47.1 50.8 -18.5 -11.3 8.8 33 33 A T - 0 0 0 143,-2.6 142,-1.0 -19,-0.2 -19,-0.3 -0.291 37.5-148.0 -85.3 163.0 -16.7 -12.5 5.7 34 34 A G S S- 0 0 7 -21,-1.5 141,-0.6 1,-0.3 142,-0.3 0.245 73.0 -32.3 -82.7-134.7 -13.2 -12.8 4.3 35 35 A E E S+ B 0 174A 19 139,-0.2 -24,-2.4 140,-0.1 -23,-0.3 -0.604 70.6 158.9 -86.9 141.7 -13.0 -12.4 0.6 36 36 A F E -AB 10 173A 0 137,-1.7 137,-2.1 -2,-0.3 2,-0.4 -0.977 21.1-163.9-154.6 157.1 -15.9 -13.4 -1.8 37 37 A V E +AB 9 172A 2 -28,-2.3 -28,-2.2 -2,-0.3 2,-0.4 -0.979 13.7 172.3-145.1 123.4 -17.1 -12.5 -5.3 38 38 A V E +AB 8 171A 0 133,-2.5 133,-2.9 -2,-0.4 2,-0.3 -0.997 19.4 116.8-128.9 136.3 -20.5 -13.4 -6.6 39 39 A G E -AB 7 170A 0 -32,-2.5 -32,-3.0 -2,-0.4 2,-0.4 -0.990 45.5-110.5-177.6 177.8 -22.1 -12.3 -9.8 40 40 A K E +AB 6 169A 5 129,-1.4 129,-2.9 -2,-0.3 2,-0.3 -0.950 53.4 90.9-121.7 150.6 -23.6 -13.2 -13.2 41 41 A G E -AB 5 168A 0 -36,-2.0 -37,-2.7 -2,-0.4 -36,-2.0 -0.804 65.5 -17.4 171.7-118.4 -22.5 -12.6 -16.8 42 42 A W E - B 0 167A 8 125,-3.0 125,-2.3 -2,-0.3 3,-0.1 -0.915 28.1-141.6-135.0 141.5 -20.5 -14.5 -19.4 43 43 A T S S+ 0 0 71 -2,-0.4 2,-0.6 123,-0.2 -1,-0.1 0.824 102.0 41.3 -59.7 -41.2 -18.0 -17.3 -19.7 44 44 A T S S- 0 0 88 123,-0.1 -1,-0.2 122,-0.1 122,-0.2 -0.943 81.8-154.8-116.6 114.4 -16.1 -15.3 -22.4 45 45 A G - 0 0 5 120,-2.7 119,-0.2 -2,-0.6 121,-0.1 -0.316 8.3-165.1 -77.3 166.6 -15.5 -11.7 -21.7 46 46 A S > - 0 0 32 -2,-0.0 3,-1.2 1,-0.0 100,-0.1 -0.981 30.9-134.8-148.4 149.0 -15.0 -9.1 -24.3 47 47 A P T 3 S+ 0 0 19 0, 0.0 103,-0.2 0, 0.0 104,-0.2 0.580 109.0 56.7 -75.1 -7.1 -13.7 -5.5 -24.4 48 48 A F T 3 S+ 0 0 158 98,-0.1 2,-0.2 99,-0.1 99,-0.1 0.349 81.3 114.8-106.1 8.6 -16.7 -4.8 -26.8 49 49 A R < - 0 0 61 -3,-1.2 97,-0.9 96,-0.1 2,-0.5 -0.509 55.1-146.6 -77.4 144.0 -19.5 -6.0 -24.5 50 50 A T E -J 145 0B 67 -2,-0.2 2,-0.5 95,-0.2 95,-0.2 -0.938 17.1-159.1-104.3 128.5 -22.2 -3.7 -23.1 51 51 A I E -J 144 0B 0 93,-2.4 93,-2.8 -2,-0.5 2,-0.4 -0.934 7.2-170.0-113.5 128.5 -23.3 -4.8 -19.7 52 52 A N E +J 143 0B 34 133,-3.1 133,-2.5 -2,-0.5 2,-0.3 -0.887 12.8 162.1-109.9 150.1 -26.6 -3.7 -18.3 53 53 A Y E -JK 142 184B 2 89,-2.6 89,-3.1 -2,-0.4 2,-0.4 -0.994 28.4-153.2-155.0 166.3 -27.8 -4.2 -14.7 54 54 A N E - K 0 183B 34 129,-2.1 129,-2.3 -2,-0.3 2,-1.1 -0.949 13.2-155.6-141.2 116.2 -30.3 -3.1 -12.1 55 55 A A E - K 0 182B 0 85,-0.4 127,-0.3 -2,-0.4 3,-0.1 -0.792 12.6-179.9 -93.7 97.0 -29.3 -3.4 -8.5 56 56 A G E S+ 0 0 53 -2,-1.1 2,-0.4 125,-0.6 126,-0.2 0.749 75.4 30.8 -67.0 -27.7 -32.6 -3.6 -6.7 57 57 A V E + K 0 181B 63 124,-1.9 124,-2.5 -3,-0.1 2,-0.3 -0.982 59.2 168.0-131.6 125.4 -30.8 -3.9 -3.3 58 58 A W E + K 0 180B 39 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.807 22.5 142.2-131.9 92.2 -27.4 -2.3 -2.5 59 59 A A E + K 0 179B 50 120,-2.6 120,-1.4 -2,-0.3 121,-0.1 -0.404 16.5 169.5-134.0 63.5 -26.9 -2.6 1.2 60 60 A P E - K 0 178B 30 0, 0.0 2,-0.5 0, 0.0 118,-0.3 -0.413 23.3-154.2 -69.4 147.2 -23.3 -3.3 2.2 61 61 A N E S- K 0 177B 106 116,-3.4 116,-1.8 2,-0.1 2,-0.4 -0.809 76.1 -21.5-120.8 81.1 -22.5 -3.0 6.0 62 62 A G S S+ 0 0 1 -2,-0.5 25,-1.5 114,-0.2 2,-0.8 -0.899 123.6 9.5 116.9-146.3 -18.8 -2.3 5.5 63 63 A N S S+ 0 0 8 112,-0.4 111,-1.9 111,-0.4 2,-0.3 -0.580 75.0 129.8 -84.6 106.0 -16.5 -3.0 2.6 64 64 A G E -C 173 0A 0 -2,-0.8 22,-1.1 109,-0.2 2,-0.4 -0.988 37.9-145.2-151.5 152.0 -18.3 -4.3 -0.5 65 65 A Y E -CD 172 85A 9 107,-2.8 107,-2.1 -2,-0.3 2,-0.7 -0.960 9.7-153.4-119.1 140.8 -18.2 -3.3 -4.3 66 66 A L E +CD 171 84A 0 18,-2.7 17,-2.3 -2,-0.4 18,-1.8 -0.968 52.4 147.2-106.0 107.9 -21.0 -3.3 -6.9 67 67 A T E -CD 170 82A 0 103,-2.4 103,-3.5 -2,-0.7 15,-0.3 -0.997 61.2-111.9-153.4 141.0 -18.7 -3.8 -9.8 68 68 A L E -CD 169 81A 0 13,-2.6 13,-1.9 -2,-0.3 2,-0.4 -0.583 49.7-173.8 -67.5 141.2 -18.1 -5.2 -13.3 69 69 A Y E +CD 168 80A 9 99,-2.6 99,-3.1 -2,-0.2 2,-0.3 -0.989 15.2 127.8-146.4 133.5 -15.5 -7.9 -12.7 70 70 A G E -CD 167 79A 0 9,-1.9 9,-2.8 -2,-0.4 2,-0.3 -0.974 34.8-119.5-170.5-178.4 -13.4 -10.1 -14.9 71 71 A W E - 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