==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-05 2F6B . COMPND 2 MOLECULE: FAMILY 11 XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS; . AUTHOR L.SATYANARAYANA,H.BALAKRISHNAN,S.GAIKWARD,C.G.SURESH . 412 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 48.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 6 1.5 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 . 42 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 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 . 3 3 0 3 2 4 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 1 1 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 T 0 0 122 0, 0.0 29,-1.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 157.6 85.3 26.9 8.7 2 2 A I E -A 29 0A 113 27,-0.2 2,-0.5 2,-0.0 27,-0.2 -0.487 360.0-174.8 -85.5 132.8 81.6 25.9 7.6 3 3 A V E +A 28 0A 13 25,-3.2 25,-3.4 -2,-0.2 3,-0.1 -0.986 16.4 158.5-122.0 125.1 79.9 22.6 8.5 4 4 A T + 0 0 80 -2,-0.5 22,-0.3 23,-0.2 2,-0.3 0.122 62.9 42.9-130.8 26.0 76.4 21.8 7.1 5 5 A D S S- 0 0 107 23,-0.1 13,-0.1 20,-0.1 -1,-0.1 -0.982 104.6 -54.4-165.2 157.8 76.3 18.1 7.3 6 6 A N S S+ 0 0 82 -2,-0.3 2,-0.3 14,-0.2 13,-0.2 -0.139 70.3 154.0 -47.0 120.2 77.2 15.2 9.7 7 7 A S E -B 18 0A 38 11,-1.5 11,-2.3 -4,-0.1 2,-0.4 -0.986 31.6-163.1-159.8 137.3 80.8 15.7 10.5 8 8 A T E +B 17 0A 99 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.921 36.2 127.2-133.5 100.0 83.1 14.8 13.4 9 9 A G E -B 16 0A 23 7,-0.8 7,-1.5 -2,-0.4 2,-0.4 -0.540 52.4-100.1-133.5-157.7 86.4 16.6 13.7 10 10 A N E +B 15 0A 94 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.998 31.5 176.8-133.2 133.5 88.9 18.7 15.8 11 11 A H E > -B 14 0A 50 3,-2.7 3,-2.0 -2,-0.4 20,-0.1 -0.983 69.8 -14.9-143.5 123.9 89.2 22.4 15.5 12 12 A D T 3 S- 0 0 102 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.812 127.0 -55.6 52.3 35.0 91.4 24.7 17.7 13 13 A G T 3 S+ 0 0 34 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.303 116.7 109.4 84.9 -11.7 91.9 21.8 20.1 14 14 A Y E < -B 11 0A 7 -3,-2.0 -3,-2.7 19,-0.3 2,-0.4 -0.824 69.0-128.5 -94.4 133.5 88.1 21.3 20.8 15 15 A D E -BC 10 51A 28 36,-2.7 36,-2.9 -2,-0.4 2,-0.3 -0.714 33.6-167.6 -78.5 130.7 86.4 18.2 19.4 16 16 A Y E -BC 9 50A 31 -7,-1.5 -7,-0.8 -2,-0.4 2,-0.3 -0.786 11.5-170.4-117.6 159.8 83.3 19.3 17.5 17 17 A E E -BC 8 49A 31 32,-2.0 32,-2.3 -2,-0.3 2,-0.5 -0.945 11.5-168.5-151.6 135.0 80.3 17.5 16.1 18 18 A F E +BC 7 48A 1 -11,-2.3 -11,-1.5 -2,-0.3 2,-0.4 -0.990 22.4 171.9-112.8 122.9 77.5 18.4 13.8 19 19 A W E + C 0 47A 92 28,-2.5 28,-2.7 -2,-0.5 2,-0.3 -0.964 6.1 152.1-138.3 128.4 74.7 15.8 13.8 20 20 A K E - C 0 46A 32 -2,-0.4 26,-0.2 26,-0.2 -14,-0.2 -0.993 28.1-139.8-144.5 150.7 71.3 15.8 12.2 21 21 A D - 0 0 57 24,-1.5 2,-0.2 -2,-0.3 23,-0.1 -0.083 55.5 -43.3 -91.3-159.5 68.9 13.3 10.9 22 22 A S S S+ 0 0 99 293,-0.1 -1,-0.2 21,-0.1 22,-0.2 -0.466 98.9 33.4 -82.2 134.0 66.8 13.7 7.8 23 23 A G S S+ 0 0 35 1,-0.3 21,-0.5 -2,-0.2 22,-0.2 0.012 87.7 35.2 106.5 147.7 64.9 16.8 6.9 24 24 A G S S- 0 0 37 19,-0.2 -1,-0.3 20,-0.1 2,-0.3 -0.005 77.3 -95.8 65.7-176.0 65.5 20.5 7.4 25 25 A S E - D 0 41A 65 16,-2.3 16,-2.7 -3,-0.1 2,-0.3 -0.868 28.8-169.6-137.0 164.1 68.9 22.2 7.2 26 26 A G E - D 0 40A 6 -22,-0.3 2,-0.4 -2,-0.3 14,-0.2 -0.986 7.4-160.6-156.1 148.1 71.6 23.3 9.6 27 27 A T E - D 0 39A 53 12,-2.8 12,-1.6 -2,-0.3 2,-0.5 -0.966 5.7-174.2-133.7 118.5 74.8 25.4 9.5 28 28 A M E -AD 3 38A 0 -25,-3.4 -25,-3.2 -2,-0.4 2,-0.5 -0.966 8.2-161.9-108.9 124.0 77.5 25.2 12.1 29 29 A I E -AD 2 37A 61 8,-2.5 8,-1.8 -2,-0.5 2,-0.5 -0.947 15.2-138.2-104.5 122.1 80.4 27.8 11.7 30 30 A L E + D 0 36A 9 -29,-1.7 6,-0.2 -2,-0.5 2,-0.1 -0.663 30.8 170.1 -83.3 121.9 83.6 26.9 13.6 31 31 A N - 0 0 61 4,-1.5 2,-0.1 -2,-0.5 164,-0.0 -0.345 41.6 -29.6-119.4-163.0 85.3 29.8 15.4 32 32 A S S > S- 0 0 89 -2,-0.1 3,-2.3 2,-0.1 -1,-0.2 -0.296 100.1 -46.4 -64.5 129.6 88.1 30.3 18.0 33 33 A G T 3 S- 0 0 16 1,-0.3 -19,-0.3 -2,-0.1 -2,-0.1 -0.331 129.7 -3.8 55.1-118.5 88.8 27.6 20.5 34 34 A G T 3 S+ 0 0 3 163,-0.5 -1,-0.3 -2,-0.1 162,-0.1 0.570 110.0 103.7 -84.3 -12.4 85.5 26.4 22.0 35 35 A T < + 0 0 25 -3,-2.3 -4,-1.5 160,-0.2 2,-0.3 -0.142 35.5 147.4 -76.0 161.7 83.2 28.9 20.2 36 36 A F E -DE 30 194A 0 158,-1.6 158,-2.6 -6,-0.2 2,-0.3 -0.943 32.9-129.2-173.9 163.0 80.9 28.4 17.3 37 37 A S E -DE 29 193A 26 -8,-1.8 -8,-2.5 -2,-0.3 2,-0.4 -0.984 19.1-160.7-129.2 154.4 77.6 29.6 15.9 38 38 A A E -DE 28 192A 3 154,-3.2 154,-2.6 -2,-0.3 2,-0.4 -0.981 12.5-177.3-138.7 142.6 74.6 27.6 14.7 39 39 A S E -DE 27 191A 65 -12,-1.6 -12,-2.8 -2,-0.4 2,-0.4 -0.988 13.5-179.7-131.9 132.1 71.5 28.1 12.5 40 40 A W E -DE 26 190A 4 150,-2.5 150,-2.0 -2,-0.4 2,-0.4 -1.000 8.1-166.6-140.2 146.3 68.9 25.4 12.0 41 41 A N E -D 25 0A 86 -16,-2.7 -16,-2.3 -2,-0.4 148,-0.2 -0.943 64.2 -23.8-139.8 114.4 65.8 25.3 10.0 42 42 A N E S+ 0 0 71 -2,-0.4 147,-0.2 -18,-0.2 2,-0.2 0.814 85.3 160.4 59.5 44.8 62.8 22.8 10.1 43 43 A V E - E 0 188A 0 145,-1.6 144,-0.6 1,-0.2 145,-0.5 -0.464 44.9-146.3 -94.2 158.9 64.8 19.9 11.6 44 44 A N E S- 0 0 32 -21,-0.5 143,-1.8 1,-0.3 2,-0.4 0.933 87.0 -13.0 -75.3 -69.1 63.8 16.8 13.3 45 45 A N E S+ E 0 186A 19 141,-0.2 -24,-1.5 -22,-0.2 -1,-0.3 -0.999 70.5 172.0-138.3 128.6 66.7 16.5 15.6 46 46 A I E -CE 20 185A 0 139,-1.8 139,-2.6 -2,-0.4 2,-0.4 -0.997 10.0-168.1-138.2 142.0 70.0 18.4 15.4 47 47 A L E -CE 19 184A 9 -28,-2.7 -28,-2.5 -2,-0.3 2,-0.4 -0.998 3.7-176.6-127.3 134.2 73.0 18.7 17.7 48 48 A F E +CE 18 183A 0 135,-2.4 135,-2.8 -2,-0.4 2,-0.3 -1.000 21.9 166.1-121.1 125.2 75.8 21.2 17.4 49 49 A R E -CE 17 182A 7 -32,-2.3 -32,-2.0 -2,-0.4 2,-0.4 -0.998 28.1-172.3-144.3 153.2 78.6 20.7 20.0 50 50 A K E +CE 16 181A 0 131,-1.8 131,-1.7 -2,-0.3 -34,-0.2 -0.947 46.0 90.2-136.5 115.5 82.1 21.7 20.9 51 51 A G E S-CE 15 180A 2 -36,-2.9 -36,-2.7 -2,-0.4 2,-0.4 -0.615 71.8 -45.3-162.1-133.1 83.9 20.0 23.7 52 52 A K E - E 0 179A 70 127,-2.7 127,-1.9 -38,-0.2 2,-0.3 -0.984 33.0-155.0-129.6 128.5 86.2 17.0 24.5 53 53 A K E - E 0 178A 44 -2,-0.4 2,-0.3 125,-0.2 125,-0.3 -0.794 20.9-147.5 -94.5 143.5 86.0 13.4 23.3 54 54 A F - 0 0 29 123,-2.2 121,-0.0 -2,-0.3 -2,-0.0 -0.741 22.6-117.9-114.8 160.5 87.7 10.9 25.6 55 55 A N - 0 0 112 -2,-0.3 122,-0.1 1,-0.1 -1,-0.0 0.483 50.2-118.6 -77.1 -5.8 89.5 7.6 24.9 56 56 A E S S+ 0 0 63 120,-0.8 119,-0.1 2,-0.1 121,-0.1 0.574 86.3 99.9 88.5 14.9 86.9 5.6 27.0 57 57 A T + 0 0 79 119,-0.1 2,-0.3 2,-0.1 120,-0.1 0.698 67.0 62.0-108.0 -23.1 89.2 4.2 29.7 58 58 A Q - 0 0 67 118,-0.3 118,-1.9 1,-0.1 -2,-0.1 -0.798 69.5-126.6-111.2 152.0 88.8 6.5 32.8 59 59 A T > - 0 0 41 -2,-0.3 4,-2.4 116,-0.3 5,-0.2 -0.261 40.6 -99.5 -77.5 175.1 85.9 7.4 35.2 60 60 A H H > S+ 0 0 3 114,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.916 124.2 54.1 -68.8 -37.7 85.1 11.1 35.8 61 61 A Q H 4 S+ 0 0 117 2,-0.2 -1,-0.2 1,-0.2 4,-0.0 0.898 109.9 48.5 -58.4 -45.8 87.0 11.2 39.1 62 62 A Q H 4 S+ 0 0 118 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.950 108.4 53.3 -57.8 -53.8 90.1 9.9 37.2 63 63 A V H < S- 0 0 14 -4,-2.4 2,-0.2 1,-0.2 -2,-0.2 0.859 113.7-127.0 -51.3 -38.7 89.7 12.5 34.4 64 64 A G < - 0 0 11 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 -0.705 40.7 -30.1 118.2-176.3 89.7 15.2 37.1 65 65 A N - 0 0 72 -2,-0.2 137,-3.2 -3,-0.1 2,-0.4 -0.680 61.3-158.3 -81.6 125.0 87.5 18.1 38.0 66 66 A M E +F 201 0A 0 -2,-0.4 94,-1.5 135,-0.2 2,-0.3 -0.864 16.3 169.0-110.7 142.9 85.6 19.6 35.0 67 67 A S E -F 200 0A 26 133,-2.0 133,-3.1 -2,-0.4 2,-0.5 -0.995 17.3-151.8-150.0 140.7 84.2 23.0 34.7 68 68 A I E -FG 199 157A 3 89,-2.6 89,-2.6 -2,-0.3 2,-0.6 -0.965 3.3-166.3-122.3 124.1 82.8 25.0 31.8 69 69 A N E +FG 198 156A 57 129,-2.5 129,-2.6 -2,-0.5 2,-0.3 -0.938 30.6 155.4-106.0 121.3 82.8 28.8 31.4 70 70 A Y E -FG 197 155A 5 85,-2.2 85,-2.1 -2,-0.6 2,-0.3 -0.900 31.3-165.3-141.1 163.9 80.4 29.8 28.6 71 71 A G E +FG 196 154A 2 125,-2.1 125,-1.9 -2,-0.3 124,-0.4 -0.960 18.3 179.9-150.1 142.9 78.3 32.6 27.1 72 72 A A E - 0 0 2 81,-2.1 2,-0.9 -2,-0.3 122,-0.2 -0.996 33.9-141.2-151.0 138.0 75.7 32.2 24.4 73 73 A N E -F 193 0A 76 120,-2.8 120,-2.8 -2,-0.3 2,-0.6 -0.885 37.6-171.1 -93.6 99.6 73.2 34.2 22.4 74 74 A F E +F 192 0A 22 -2,-0.9 118,-0.2 118,-0.2 27,-0.1 -0.865 16.6 168.1-106.3 114.4 70.5 31.5 22.4 75 75 A Q E +F 191 0A 106 116,-2.6 116,-1.5 -2,-0.6 2,-0.3 -0.620 8.0 173.5-127.5 72.3 67.5 32.2 20.1 76 76 A P E -F 190 0A 34 0, 0.0 2,-0.8 0, 0.0 114,-0.3 -0.628 22.4-160.0 -82.6 135.4 65.2 29.1 19.6 77 77 A N E S-F 189 0A 101 112,-2.5 112,-1.8 -2,-0.3 2,-0.3 -0.806 77.0 -14.2-105.1 88.6 62.0 29.3 17.8 78 78 A G E S- 0 0 7 -2,-0.8 25,-0.6 110,-0.2 2,-0.5 -0.856 120.7 -0.5 119.7-159.5 60.4 26.1 19.3 79 79 A N E S+F 186 0A 9 107,-0.5 107,-2.9 108,-0.4 2,-0.3 -0.571 77.0 134.3 -74.5 117.4 61.9 23.1 21.2 80 80 A A E -F 185 0A 0 -2,-0.5 22,-1.3 105,-0.2 2,-0.3 -0.974 36.2-144.5-160.0 144.8 65.7 23.5 21.7 81 81 A Y E -FH 184 101A 9 103,-2.6 103,-2.0 -2,-0.3 2,-0.5 -0.897 6.6-157.5-117.1 151.8 68.2 23.1 24.6 82 82 A L E +FH 183 100A 0 18,-2.7 17,-2.7 -2,-0.3 18,-1.7 -0.992 47.6 123.1-119.7 123.0 71.4 24.8 25.6 83 83 A C E -FH 182 98A 0 99,-2.2 99,-4.1 -2,-0.5 2,-0.4 -0.988 66.9 -91.5-165.2 160.4 73.4 22.5 27.7 84 84 A V E +FH 181 97A 0 13,-2.5 13,-3.0 -2,-0.3 2,-0.3 -0.802 55.2 178.1 -83.5 138.1 76.4 20.5 28.6 85 85 A Y E +FH 180 96A 9 95,-2.6 95,-2.2 -2,-0.4 2,-0.3 -0.969 13.5 113.2-144.9 153.4 76.0 17.1 27.0 86 86 A G E -FH 179 95A 0 9,-1.4 9,-2.5 -2,-0.3 2,-0.3 -0.991 40.3 -98.4 168.1-162.0 77.8 13.8 26.6 87 87 A W E -FH 178 94A 7 91,-0.6 90,-2.2 -2,-0.3 91,-1.2 -0.931 8.2-150.9-142.8 155.5 78.0 10.1 27.3 88 88 A T E > -FH 176 93A 0 5,-2.3 5,-2.2 -2,-0.3 2,-0.4 -0.955 18.3-140.0-121.3 154.1 79.5 7.4 29.4 89 89 A V E 5S+F 175 0A 12 86,-2.1 86,-3.1 -2,-0.3 3,-0.2 -0.897 72.8 44.9-104.3 145.4 80.2 3.8 28.4 90 90 A D T 5S+ 0 0 138 -2,-0.4 -1,-0.2 84,-0.2 2,-0.1 0.944 127.7 32.5 58.3 69.3 79.7 0.8 30.7 91 91 A P T 5S- 0 0 52 0, 0.0 2,-0.4 0, 0.0 83,-0.4 0.448 108.5-131.9 -76.6 149.0 77.1 1.7 31.6 92 92 A L T 5 + 0 0 34 -3,-0.2 50,-1.1 48,-0.2 2,-0.4 -0.543 38.1 172.4 -60.6 117.7 75.9 3.5 28.5 93 93 A V E < -Hi 88 142A 1 -5,-2.2 -5,-2.3 -2,-0.4 2,-0.4 -0.999 26.2-162.7-140.6 130.0 74.6 6.8 29.7 94 94 A E E -Hi 87 143A 15 48,-2.0 50,-1.8 -2,-0.4 2,-0.3 -0.955 25.5-172.2-107.1 128.2 73.5 9.9 27.8 95 95 A Y E -Hi 86 144A 0 -9,-2.5 -9,-1.4 -2,-0.4 2,-0.4 -0.931 16.0-166.0-135.3 153.1 73.4 13.0 30.0 96 96 A Y E -Hi 85 145A 5 48,-2.3 50,-2.7 -2,-0.3 2,-0.6 -0.997 13.4-170.3-138.3 129.6 72.3 16.6 30.0 97 97 A I E -Hi 84 146A 0 -13,-3.0 -13,-2.5 -2,-0.4 2,-0.5 -0.938 28.5-161.2-114.9 105.0 73.0 19.6 32.1 98 98 A V E +Hi 83 147A 0 48,-2.9 50,-2.2 -2,-0.6 -15,-0.3 -0.764 25.7 169.2-101.0 122.6 70.4 22.1 30.7 99 99 A D E S+ 0 0 1 -17,-2.7 53,-2.2 -2,-0.5 2,-0.3 0.711 71.0 6.1-103.4 -25.1 70.8 25.8 31.4 100 100 A S E -H 82 0A 4 -18,-1.7 -18,-2.7 51,-0.2 -1,-0.3 -0.973 61.3-179.0-152.8 167.5 68.2 27.1 29.0 101 101 A W E -H 81 0A 22 -2,-0.3 -20,-0.2 -20,-0.3 4,-0.1 -0.904 27.4-111.2-157.1 170.2 65.5 25.8 26.6 102 102 A G S S- 0 0 8 -22,-1.3 -1,-0.2 2,-0.3 -23,-0.2 0.670 81.6 -34.8 -82.9-117.1 62.8 27.0 24.1 103 103 A N S S+ 0 0 30 -25,-0.6 2,-0.4 1,-0.1 146,-0.2 0.552 124.6 57.7 -89.9 -5.1 59.2 26.7 24.9 104 104 A W S S- 0 0 7 -26,-0.2 -2,-0.3 -24,-0.2 -24,-0.2 -0.989 71.6-139.5-133.5 121.0 59.3 23.4 26.8 105 105 A R > - 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