==== 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 2DCK . COMPND 2 MOLECULE: XYLANASE J; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR G.FIBRIANSAH,IHSANAWATI,N.TANAKA,S.NAKAMURA,T.KUMASAKA . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 49.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 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 . 1 0 3 3 2 2 3 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 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 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 96 0, 0.0 2,-0.5 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 156.1 96.5 79.5 -10.7 2 2 A I B +A 27 0A 16 25,-3.3 25,-1.9 1,-0.1 4,-0.1 -0.791 360.0 165.5 -89.4 126.3 99.9 78.3 -9.4 3 3 A T + 0 0 94 -2,-0.5 22,-0.4 23,-0.2 2,-0.3 0.287 60.3 43.2-126.3 3.3 102.5 77.8 -12.2 4 4 A S S S- 0 0 75 20,-0.1 13,-0.2 1,-0.0 -1,-0.1 -0.960 103.8 -56.4-144.5 167.8 105.7 77.4 -10.3 5 5 A N + 0 0 82 -2,-0.3 2,-0.3 14,-0.2 13,-0.2 -0.000 64.3 156.4 -49.1 135.0 107.0 75.7 -7.2 6 6 A E E -B 17 0A 79 11,-2.1 11,-2.3 -4,-0.1 2,-0.4 -0.960 26.3-166.3-166.4 140.6 105.0 76.6 -4.1 7 7 A I E +B 16 0A 105 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 34.2 121.1-132.4 135.0 104.2 75.1 -0.7 8 8 A G E -B 15 0A 20 7,-2.0 7,-2.3 -2,-0.4 2,-0.4 -0.965 55.8 -89.2-171.7-171.8 101.4 76.4 1.5 9 9 A T E -B 14 0A 93 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.961 34.1-178.8-122.2 137.1 98.2 75.7 3.4 10 10 A H E > -B 13 0A 63 3,-3.0 3,-2.0 -2,-0.4 20,-0.1 -0.964 68.4 -24.2-144.3 114.2 94.8 76.2 1.7 11 11 A D T 3 S- 0 0 103 -2,-0.4 3,-0.1 1,-0.3 21,-0.1 0.854 128.5 -43.4 53.8 47.4 91.5 75.7 3.5 12 12 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.365 119.5 100.9 89.4 -10.8 93.0 73.2 6.1 13 13 A Y E < S-B 10 0A 33 -3,-2.0 -3,-3.0 19,-0.2 2,-0.7 -0.898 71.0-126.3-116.7 140.9 95.1 71.3 3.7 14 14 A D E -BC 9 50A 27 36,-2.8 36,-2.4 -2,-0.4 2,-0.3 -0.730 36.5-169.8 -79.5 117.5 98.8 71.4 3.0 15 15 A Y E -BC 8 49A 25 -7,-2.3 -7,-2.0 -2,-0.7 2,-0.3 -0.763 10.5-174.8-109.2 160.4 99.3 71.9 -0.8 16 16 A E E -BC 7 48A 17 32,-2.0 32,-1.9 -2,-0.3 2,-0.5 -0.942 16.7-165.4-155.3 133.1 102.3 71.7 -3.1 17 17 A F E +BC 6 47A 0 -11,-2.3 -11,-2.1 -2,-0.3 2,-0.4 -0.972 26.5 172.5-105.2 127.2 103.1 72.3 -6.7 18 18 A W E + C 0 46A 84 28,-2.4 28,-2.9 -2,-0.5 2,-0.3 -0.977 6.2 151.2-140.4 128.9 106.5 70.8 -7.6 19 19 A K E - C 0 45A 30 -2,-0.4 26,-0.2 26,-0.2 -14,-0.2 -0.989 30.6-135.9-142.5 160.6 108.2 70.5 -10.9 20 20 A D - 0 0 49 24,-1.9 23,-0.2 -2,-0.3 2,-0.1 -0.320 56.2 -54.4 -93.0-173.5 111.7 70.3 -12.3 21 21 A S S S+ 0 0 106 -2,-0.1 22,-0.3 21,-0.1 23,-0.2 -0.323 95.6 59.0 -64.6 145.6 112.9 72.1 -15.5 22 22 A G S S+ 0 0 32 1,-0.3 21,-0.6 20,-0.1 22,-0.2 0.202 88.2 4.2 106.2 130.6 111.0 71.7 -18.7 23 23 A G S S- 0 0 47 19,-0.2 -1,-0.3 20,-0.1 2,-0.3 -0.095 79.3 -85.2 66.9-157.9 107.4 72.3 -19.9 24 24 A S E - D 0 40A 63 16,-2.0 16,-2.4 -3,-0.1 2,-0.3 -0.947 29.0-169.5-147.2 162.5 104.7 73.8 -17.8 25 25 A G E - D 0 39A 6 -22,-0.4 2,-0.3 -2,-0.3 14,-0.2 -0.984 5.7-159.8-152.3 160.4 102.0 73.2 -15.2 26 26 A S E - D 0 38A 27 12,-2.7 12,-2.6 -2,-0.3 2,-0.4 -0.997 6.7-171.7-143.3 136.4 99.1 74.9 -13.6 27 27 A M E -AD 2 37A 0 -25,-1.9 -25,-3.3 -2,-0.3 2,-0.5 -0.999 4.4-165.3-134.3 129.8 97.3 74.1 -10.4 28 28 A T E - D 0 36A 61 8,-2.7 8,-2.8 -2,-0.4 2,-0.5 -0.970 15.6-142.7-117.2 129.8 94.1 75.6 -9.0 29 29 A L E + D 0 35A 33 -2,-0.5 6,-0.3 6,-0.2 2,-0.1 -0.798 22.6 179.9 -93.9 127.7 93.2 75.1 -5.4 30 30 A N - 0 0 61 4,-2.2 4,-0.1 -2,-0.5 164,-0.0 -0.419 42.5 -44.1-116.6-172.8 89.5 74.6 -4.6 31 31 A S S > S- 0 0 87 -2,-0.1 3,-1.9 2,-0.1 -1,-0.2 -0.163 102.4 -22.4 -61.3 151.8 87.7 74.0 -1.3 32 32 A G T 3 S- 0 0 21 1,-0.3 -19,-0.2 -21,-0.1 165,-0.1 -0.282 131.8 -13.4 54.5-129.6 89.0 71.5 1.3 33 33 A G T 3 S+ 0 0 2 163,-0.8 -1,-0.3 -21,-0.1 2,-0.2 0.334 110.0 112.6 -80.6 4.9 91.3 68.9 -0.1 34 34 A T < + 0 0 14 -3,-1.9 -4,-2.2 160,-0.1 2,-0.3 -0.474 30.0 145.4 -95.3 156.4 90.4 69.6 -3.8 35 35 A F E -DE 29 193A 1 158,-1.4 158,-2.8 -6,-0.3 2,-0.3 -0.969 32.3-129.4-168.5 159.0 92.2 71.0 -6.6 36 36 A S E -DE 28 192A 31 -8,-2.8 -8,-2.7 -2,-0.3 2,-0.3 -0.903 23.1-165.0-119.8 161.2 92.6 70.8 -10.3 37 37 A A E -DE 27 191A 6 154,-2.8 154,-2.7 -2,-0.3 2,-0.3 -0.993 13.3-175.0-146.5 151.3 95.7 70.5 -12.4 38 38 A Q E +DE 26 190A 123 -12,-2.6 -12,-2.7 -2,-0.3 2,-0.3 -0.999 11.8 173.1-141.8 139.4 97.1 70.8 -15.9 39 39 A W E -DE 25 189A 7 150,-2.6 150,-3.0 -2,-0.3 2,-0.3 -0.998 9.8-167.8-144.6 154.0 100.5 70.0 -17.4 40 40 A S E -D 24 0A 45 -16,-2.4 -16,-2.0 -2,-0.3 148,-0.2 -0.977 66.3 -14.9-143.7 133.2 102.4 69.8 -20.7 41 41 A N E S+ 0 0 126 -2,-0.3 2,-0.2 -18,-0.2 147,-0.2 0.913 84.7 159.4 56.1 50.5 105.7 68.4 -21.9 42 42 A V E - E 0 187A 4 145,-2.0 145,-0.6 1,-0.2 144,-0.5 -0.652 43.7-152.1 -94.9 162.4 107.2 68.0 -18.4 43 43 A N E S- 0 0 74 -21,-0.6 143,-1.5 1,-0.3 2,-0.4 0.885 85.5 -3.9 -86.7 -68.4 109.9 66.0 -17.1 44 44 A N E S+ E 0 185A 46 141,-0.2 -24,-1.9 -23,-0.2 2,-0.3 -0.999 71.2 166.2-127.0 129.0 108.7 65.6 -13.5 45 45 A I E -CE 19 184A 0 139,-2.1 139,-2.0 -2,-0.4 2,-0.4 -0.999 10.7-175.4-142.3 145.8 105.7 67.2 -11.9 46 46 A L E -CE 18 183A 6 -28,-2.9 -28,-2.4 -2,-0.3 2,-0.4 -0.996 1.4-177.0-139.8 130.0 103.7 66.6 -8.7 47 47 A F E +CE 17 182A 0 135,-2.1 135,-3.5 -2,-0.4 2,-0.3 -1.000 23.1 158.7-122.2 132.1 100.4 68.3 -7.6 48 48 A R E -CE 16 181A 7 -32,-1.9 -32,-2.0 -2,-0.4 2,-0.3 -0.993 32.1-165.6-158.9 158.4 99.1 67.5 -4.2 49 49 A K E +CE 15 180A 0 131,-1.6 131,-1.5 -2,-0.3 -34,-0.2 -0.979 47.0 93.8-143.8 120.9 96.9 68.3 -1.2 50 50 A G E S-CE 14 179A 3 -36,-2.4 -36,-2.8 -2,-0.3 2,-0.4 -0.750 72.4 -50.0-166.2-131.3 97.1 66.5 2.1 51 51 A K E - E 0 178A 86 127,-2.8 127,-2.0 -2,-0.2 2,-0.3 -0.990 32.7-156.9-134.7 132.1 98.9 67.0 5.4 52 52 A K E - E 0 177A 34 -2,-0.4 125,-0.3 125,-0.2 2,-0.2 -0.794 19.7-154.5 -99.5 141.3 102.6 67.7 6.2 53 53 A F - 0 0 31 123,-2.3 121,-0.0 -2,-0.3 -2,-0.0 -0.682 26.6-108.9-115.2 173.3 103.8 66.7 9.7 54 54 A D - 0 0 111 -2,-0.2 122,-0.1 1,-0.1 123,-0.0 0.267 51.1-114.9 -93.2 8.3 106.6 68.0 11.9 55 55 A E S S+ 0 0 58 120,-1.1 119,-0.2 2,-0.1 121,-0.1 0.701 89.7 100.9 75.8 30.0 108.8 64.8 11.6 56 56 A T + 0 0 88 119,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.515 68.3 65.0-122.1 -1.8 108.6 63.6 15.2 57 57 A Q - 0 0 74 118,-0.3 118,-2.3 116,-0.0 -2,-0.1 -0.910 67.2-129.8-132.5 146.7 105.9 60.9 15.1 58 58 A T > - 0 0 40 -2,-0.4 4,-1.5 116,-0.2 5,-0.2 -0.294 40.8-103.5 -76.4 176.5 105.3 57.5 13.7 59 59 A H H > S+ 0 0 4 114,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.889 122.4 56.5 -71.0 -32.8 102.1 56.8 11.7 60 60 A Q H 4 S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.881 108.2 47.2 -60.3 -41.9 100.8 54.9 14.9 61 61 A Q H 4 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.776 111.4 49.2 -70.9 -36.9 101.3 57.9 17.0 62 62 A I H < S- 0 0 27 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.8-131.1 -71.0 -34.6 99.6 60.3 14.5 63 63 A G < - 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