==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JAN-06 2DCJ . COMPND 2 MOLECULE: XYLANASE J; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR IHSANAWATI,N.TANAKA,S.NAKAMURA,T.KUMASAKA . 650 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 308 47.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 60 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 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 2 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 . 2 0 7 5 6 5 5 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 98 0, 0.0 2,-0.5 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 153.9 44.5 82.0 158.2 2 2 A I B +A 27 0A 16 25,-3.0 25,-2.2 1,-0.1 4,-0.1 -0.827 360.0 162.2 -90.5 129.7 44.6 78.2 158.4 3 3 A T + 0 0 90 -2,-0.5 22,-0.3 23,-0.2 2,-0.3 0.243 59.1 53.7-131.5 8.4 46.9 76.8 161.2 4 4 A S S S- 0 0 52 20,-0.1 13,-0.1 611,-0.0 613,-0.1 -0.937 102.7 -68.3-139.8 158.7 45.6 73.2 161.6 5 5 A N + 0 0 18 -2,-0.3 613,-2.4 14,-0.2 2,-0.3 -0.171 66.3 157.6 -55.9 134.6 45.1 70.4 159.2 6 6 A E E -Bc 17 618A 25 11,-2.0 11,-2.2 611,-0.2 2,-0.3 -0.991 29.7-158.3-162.5 144.6 42.3 71.1 156.8 7 7 A I E +Bc 16 619A 35 611,-2.2 613,-3.3 -2,-0.3 2,-0.3 -0.963 31.8 124.8-127.3 145.7 40.9 70.2 153.4 8 8 A G E -B 15 0A 7 7,-2.1 7,-1.8 -2,-0.3 2,-0.4 -0.967 53.4 -96.3-172.3-172.2 38.6 72.3 151.3 9 9 A T E -B 14 0A 66 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.996 35.7-176.6-129.6 120.8 37.8 73.9 147.9 10 10 A H E > -B 13 0A 56 3,-3.4 3,-1.8 -2,-0.4 20,-0.1 -0.969 68.9 -20.5-130.7 120.2 38.6 77.6 147.7 11 11 A D T 3 S- 0 0 23 -2,-0.5 -1,-0.1 1,-0.3 21,-0.1 0.881 129.6 -49.0 47.9 42.9 37.8 79.7 144.6 12 12 A G T 3 S+ 0 0 43 1,-0.2 2,-0.5 327,-0.1 -1,-0.3 0.278 117.7 110.3 88.2 -12.9 37.6 76.5 142.6 13 13 A Y E < -B 10 0A 10 -3,-1.8 -3,-3.4 19,-0.3 2,-0.6 -0.841 68.6-128.4-105.0 129.6 40.9 75.1 143.8 14 14 A D E -BD 9 50A 18 36,-2.5 36,-2.8 -2,-0.5 2,-0.3 -0.682 36.6-168.9 -70.4 109.5 41.2 72.0 146.1 15 15 A Y E -BD 8 49A 4 -7,-1.8 -7,-2.1 -2,-0.6 2,-0.3 -0.742 12.3-175.7-104.2 154.0 43.4 73.2 149.0 16 16 A E E -BD 7 48A 15 32,-2.1 32,-2.1 -2,-0.3 2,-0.5 -0.960 14.7-166.9-151.6 133.5 45.1 71.3 151.8 17 17 A F E +BD 6 47A 0 -11,-2.2 -11,-2.0 -2,-0.3 2,-0.4 -0.976 23.6 171.1-108.9 124.7 47.2 72.1 154.9 18 18 A W E + D 0 46A 25 28,-2.1 28,-2.6 -2,-0.5 2,-0.3 -0.954 4.6 155.8-137.4 129.4 48.9 69.1 156.4 19 19 A K E - D 0 45A 29 -2,-0.4 26,-0.2 26,-0.2 591,-0.2 -0.994 30.5-135.4-142.0 150.6 51.5 68.9 159.1 20 20 A D - 0 0 53 24,-1.9 23,-0.2 -2,-0.3 2,-0.1 -0.213 56.5 -59.5 -81.3-179.7 52.7 66.4 161.6 21 21 A S S S+ 0 0 42 -2,-0.1 23,-0.2 21,-0.1 22,-0.2 -0.418 94.9 59.9 -68.5 147.5 53.3 67.3 165.2 22 22 A G S S+ 0 0 35 1,-0.4 21,-0.7 20,-0.1 22,-0.2 0.330 86.7 9.9 111.1 138.2 55.9 70.0 166.0 23 23 A G S S- 0 0 49 19,-0.2 -1,-0.4 20,-0.1 2,-0.3 -0.309 81.3 -89.1 69.1-157.0 56.4 73.6 165.2 24 24 A S E - E 0 40A 61 16,-2.0 16,-2.2 -3,-0.1 2,-0.3 -0.963 30.0-168.6-153.9 159.4 53.7 75.7 163.5 25 25 A G E - E 0 39A 6 -22,-0.3 2,-0.3 -2,-0.3 14,-0.2 -0.992 4.5-161.5-154.8 163.6 52.4 76.8 160.2 26 26 A S E - E 0 38A 32 12,-2.6 12,-2.5 -2,-0.3 2,-0.4 -0.986 4.3-170.3-153.1 132.4 50.0 79.2 158.6 27 27 A M E -AE 2 37A 1 -25,-2.2 -25,-3.0 -2,-0.3 2,-0.5 -0.991 5.0-163.2-130.6 134.0 48.3 79.3 155.2 28 28 A T E - E 0 36A 57 8,-2.7 8,-2.3 -2,-0.4 2,-0.5 -0.973 15.9-142.6-118.9 128.8 46.3 82.2 153.7 29 29 A L E + E 0 35A 33 -2,-0.5 6,-0.3 6,-0.2 2,-0.2 -0.795 22.5 178.7 -98.9 124.5 44.1 81.4 150.8 30 30 A N - 0 0 67 4,-2.1 -20,-0.0 -2,-0.5 4,-0.0 -0.507 39.0 -56.9-114.5-170.8 43.8 83.9 148.0 31 31 A S S > S- 0 0 51 -2,-0.2 3,-1.8 2,-0.1 -1,-0.2 -0.158 100.8 -5.4 -77.0 157.8 41.9 84.0 144.7 32 32 A G T 3 S- 0 0 3 1,-0.2 -19,-0.3 -21,-0.1 165,-0.1 -0.394 132.1 -25.3 61.4-143.2 42.4 81.4 142.0 33 33 A G T 3 S+ 0 0 2 163,-0.7 -1,-0.2 -2,-0.1 162,-0.1 0.289 109.1 123.1 -79.5 8.5 45.1 78.9 142.7 34 34 A T < + 0 0 23 -3,-1.8 -4,-2.1 160,-0.1 2,-0.3 -0.374 25.7 144.8 -88.2 152.1 46.9 81.4 145.0 35 35 A F E -EF 29 193A 0 158,-1.6 158,-2.7 -6,-0.3 2,-0.3 -0.956 31.8-136.5-165.3 157.2 47.9 81.2 148.6 36 36 A S E -EF 28 192A 35 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.3 -0.854 22.8-170.7-117.0 163.5 50.7 82.3 150.9 37 37 A A E -EF 27 191A 5 154,-2.7 154,-2.1 -2,-0.3 2,-0.3 -0.995 11.8-173.8-152.7 147.0 52.3 80.1 153.6 38 38 A Q E +EF 26 190A 121 -12,-2.5 -12,-2.6 -2,-0.3 2,-0.3 -0.991 9.3 180.0-138.0 151.6 54.6 80.4 156.6 39 39 A W E -EF 25 189A 3 150,-2.5 150,-2.7 -2,-0.3 2,-0.4 -0.994 10.0-162.5-151.0 150.5 56.2 77.8 158.8 40 40 A S E -E 24 0A 44 -16,-2.2 -16,-2.0 -2,-0.3 148,-0.2 -0.982 67.4 -21.9-135.0 132.8 58.5 77.4 161.8 41 41 A N S S+ 0 0 123 -2,-0.4 147,-0.2 -18,-0.2 2,-0.1 0.867 83.6 165.5 47.5 48.7 60.4 74.5 163.3 42 42 A V - 0 0 7 145,-2.1 145,-0.3 1,-0.2 -19,-0.2 -0.417 44.5-147.7 -84.4 168.3 58.4 71.8 161.7 43 43 A N S S- 0 0 79 -21,-0.7 143,-2.2 1,-0.3 2,-0.4 0.822 87.8 -15.5 -88.2 -70.3 58.9 68.2 161.3 44 44 A N E + G 0 185A 25 -23,-0.2 -24,-1.9 141,-0.2 2,-0.3 -0.994 68.9 172.0-141.3 131.8 56.9 68.0 158.0 45 45 A I E -DG 19 184A 0 139,-2.6 139,-2.6 -2,-0.4 2,-0.4 -0.993 8.0-171.9-137.7 140.9 54.5 70.5 156.5 46 46 A L E -DG 18 183A 5 -28,-2.6 -28,-2.1 -2,-0.3 2,-0.4 -0.997 1.9-175.1-135.6 134.8 52.7 70.7 153.1 47 47 A F E +DG 17 182A 0 135,-2.2 135,-2.5 -2,-0.4 2,-0.3 -1.000 21.2 162.5-126.1 130.4 50.6 73.5 151.7 48 48 A R E -DG 16 181A 7 -32,-2.1 -32,-2.1 -2,-0.4 2,-0.4 -0.997 30.9-167.2-157.5 152.2 48.9 73.1 148.4 49 49 A K E +DG 15 180A 0 131,-1.8 131,-1.3 -2,-0.3 -34,-0.2 -0.988 47.9 94.9-137.1 121.1 46.2 74.2 145.9 50 50 A G E S-DG 14 179A 3 -36,-2.8 -36,-2.5 -2,-0.4 2,-0.4 -0.681 70.4 -49.5-165.5-140.9 45.2 72.0 143.0 51 51 A K E - G 0 178A 85 127,-2.7 127,-1.9 -2,-0.2 2,-0.3 -0.995 33.8-158.4-126.8 127.5 42.7 69.4 141.9 52 52 A K E - 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