==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAY-08 2VUL . COMPND 2 MOLECULE: GH11 XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.DUMON,A.VARVAK,M.A.WALL,J.E.FLINT,R.J.LEWIS,J.H.LAKEY, . 193 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 48.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0.5 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 . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 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 . 0 0 1 1 1 4 1 2 1 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 0 1 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 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 2 A A 0 0 140 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.8 -6.2 7.2 -0.5 2 3 A Q - 0 0 112 31,-0.1 2,-0.5 32,-0.0 31,-0.2 -0.919 360.0-150.6-110.7 143.4 -3.7 5.3 1.7 3 4 A T E -A 32 0A 69 29,-2.0 29,-3.1 -2,-0.4 2,-0.4 -0.962 11.2-161.2-115.3 119.7 -0.1 6.5 2.3 4 5 A a E -A 31 0A 67 -2,-0.5 2,-0.3 27,-0.3 27,-0.3 -0.884 7.2-170.2-111.5 131.2 2.5 3.9 3.0 5 6 A L E +A 30 0A 21 25,-3.2 25,-2.6 -2,-0.4 4,-0.0 -0.818 24.0 179.4-117.5 152.6 5.9 4.7 4.6 6 7 A T + 0 0 81 -2,-0.3 22,-0.3 23,-0.2 -1,-0.1 0.408 69.0 76.9-124.6 -11.7 9.1 2.7 5.2 7 8 A S S S- 0 0 69 23,-0.1 -1,-0.1 20,-0.1 13,-0.1 -0.870 90.8-104.6-103.6 134.9 11.2 5.4 6.9 8 9 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.303 61.1 132.1 -56.7 133.2 10.5 6.3 10.6 9 10 A Q E -F 20 0B 80 11,-1.4 11,-2.2 -4,-0.0 2,-0.3 -0.966 40.7-133.8-169.7 167.1 8.6 9.6 11.1 10 11 A T E +F 19 0B 84 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.860 38.2 116.9-125.6 168.6 5.7 11.2 12.9 11 12 A G E -F 18 0B 17 7,-1.8 7,-2.2 -2,-0.3 2,-0.4 -0.979 56.6 -64.8 168.3-154.0 2.9 13.5 11.8 12 13 A F E +F 17 0B 120 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.982 35.7 178.8-130.0 139.7 -0.8 13.8 11.5 13 14 A H E > S-F 16 0B 29 3,-3.1 3,-2.1 -2,-0.4 20,-0.1 -0.973 73.4 -15.3-145.2 123.2 -3.2 11.8 9.2 14 15 A N T 3 S- 0 0 89 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.832 129.3 -51.7 48.7 39.0 -7.0 12.2 9.1 15 16 A G T 3 S+ 0 0 77 1,-0.3 2,-0.4 21,-0.0 -1,-0.3 0.410 117.7 111.0 84.8 -2.9 -6.9 14.2 12.4 16 17 A F E < -F 13 0B 38 -3,-2.1 -3,-3.1 19,-0.2 -1,-0.3 -0.873 66.5-127.6-105.7 137.4 -4.9 11.5 14.2 17 18 A F E -FG 12 53B 12 36,-1.8 36,-2.8 -2,-0.4 2,-0.3 -0.482 30.4-167.5 -64.3 148.6 -1.3 11.8 15.4 18 19 A Y E -FG 11 52B 23 -7,-2.2 -7,-1.8 34,-0.2 2,-0.4 -0.995 14.6-168.5-140.1 145.2 0.9 8.9 14.2 19 20 A S E -FG 10 51B 9 32,-1.9 32,-2.0 -2,-0.3 2,-0.4 -0.997 3.3-176.6-128.7 132.4 4.4 7.7 15.2 20 21 A F E +FG 9 50B 2 -11,-2.2 -11,-1.4 -2,-0.4 2,-0.4 -0.981 14.8 172.5-127.2 111.9 6.3 5.1 13.1 21 22 A W E + G 0 49B 76 28,-2.6 28,-2.4 -2,-0.4 2,-0.3 -0.971 6.9 152.4-126.2 143.3 9.6 4.1 14.6 22 23 A K E - G 0 48B 22 -2,-0.4 26,-0.2 26,-0.2 2,-0.1 -0.962 36.1-124.5-156.6 150.0 12.2 1.4 13.7 23 24 A D - 0 0 44 24,-1.9 23,-0.1 -2,-0.3 -2,-0.0 -0.341 52.4 -83.9 -82.3 179.7 15.9 0.8 14.1 24 25 A S S S+ 0 0 110 -2,-0.1 -1,-0.0 21,-0.1 21,-0.0 0.789 92.5 94.7 -68.1 -37.4 17.8 0.0 10.9 25 26 A P S S- 0 0 58 0, 0.0 21,-0.5 0, 0.0 22,-0.2 -0.255 83.8 -14.3 -61.6 143.6 17.4 -3.7 10.2 26 27 A G S S- 0 0 38 19,-0.2 2,-0.4 16,-0.1 18,-0.2 -0.010 84.4 -63.4 71.3-166.8 14.7 -5.1 7.9 27 28 A T E - B 0 43A 72 16,-2.5 16,-2.2 2,-0.0 2,-0.4 -0.966 30.6-173.1-130.1 130.7 11.6 -3.5 6.5 28 29 A V E - B 0 42A 1 -2,-0.4 2,-0.8 -22,-0.3 14,-0.2 -0.997 10.4-159.7-117.5 124.2 8.3 -2.1 7.9 29 30 A N E - B 0 41A 76 12,-2.8 12,-1.1 -2,-0.4 2,-0.6 -0.915 18.0-175.6 -97.2 103.1 5.5 -1.1 5.5 30 31 A F E -AB 5 40A 0 -25,-2.6 -25,-3.2 -2,-0.8 2,-0.4 -0.934 5.3-166.4-107.6 115.1 3.5 1.2 7.8 31 32 A a E -AB 4 39A 10 8,-2.8 8,-2.5 -2,-0.6 2,-0.6 -0.896 15.5-147.9-116.6 137.4 0.4 2.4 6.0 32 33 A L E +AB 3 38A 3 -29,-3.1 -29,-2.0 -2,-0.4 6,-0.2 -0.873 28.0 176.5-105.2 117.9 -2.0 5.3 7.0 33 34 A L - 0 0 9 4,-2.4 4,-0.2 -2,-0.6 -31,-0.1 -0.437 38.6 -42.5-114.5-174.9 -5.6 4.6 6.0 34 35 A E S > S- 0 0 125 -2,-0.1 3,-1.9 2,-0.1 -1,-0.2 -0.099 103.4 -27.7 -52.0 141.8 -9.0 6.3 6.4 35 36 A G T 3 S- 0 0 35 1,-0.3 -19,-0.2 -3,-0.1 158,-0.1 -0.251 131.8 -12.2 54.5-131.2 -9.9 7.8 9.7 36 37 A G T 3 S+ 0 0 4 156,-0.3 156,-2.9 -21,-0.1 2,-0.3 0.151 105.9 120.3 -89.9 16.9 -8.1 6.2 12.7 37 38 A R E < + C 0 191A 66 -3,-1.9 -4,-2.4 154,-0.3 2,-0.3 -0.642 29.9 163.2 -91.9 140.8 -6.9 3.2 10.6 38 39 A Y E -BC 32 190A 0 152,-2.5 152,-2.5 -2,-0.3 2,-0.3 -0.962 17.2-154.9-141.3 157.0 -3.3 2.1 10.0 39 40 A T E -BC 31 189A 27 -8,-2.5 -8,-2.8 -2,-0.3 2,-0.3 -0.944 6.2-166.0-126.4 156.9 -1.7 -1.2 8.8 40 41 A S E -BC 30 188A 2 148,-2.7 148,-2.0 -2,-0.3 2,-0.3 -0.993 11.2-179.8-138.5 149.5 1.7 -2.7 9.3 41 42 A N E -BC 29 187A 99 -12,-1.1 -12,-2.8 -2,-0.3 2,-0.3 -0.932 19.0-178.7-144.0 121.0 3.7 -5.5 7.7 42 43 A W E +BC 28 186A 3 144,-2.8 144,-2.4 -2,-0.3 2,-0.3 -0.940 10.5 171.0-129.0 145.9 7.2 -6.2 9.1 43 44 A S E +B 27 0A 67 -16,-2.2 -16,-2.5 -2,-0.3 142,-0.2 -0.955 65.1 4.2-153.1 138.7 10.0 -8.6 8.3 44 45 A G S S+ 0 0 55 -2,-0.3 141,-0.1 -18,-0.2 2,-0.1 0.647 86.4 146.1 68.9 19.3 13.6 -9.0 9.4 45 46 A I - 0 0 6 139,-1.1 -1,-0.2 -18,-0.2 139,-0.2 -0.350 45.7-154.9 -82.9 163.1 13.4 -6.1 11.9 46 47 A N S S- 0 0 47 -21,-0.5 137,-2.4 1,-0.3 2,-0.3 0.811 80.1 -13.9 -95.1 -61.9 15.2 -5.8 15.2 47 48 A N E + H 0 182B 16 135,-0.2 -24,-1.9 -22,-0.2 2,-0.3 -0.981 67.6 161.4-142.0 132.5 12.7 -3.4 17.0 48 49 A W E +GH 22 181B 0 133,-2.1 133,-2.2 -2,-0.3 2,-0.3 -0.980 7.8 179.9-143.0 153.0 9.8 -1.3 15.6 49 50 A V E +GH 21 180B 7 -28,-2.4 -28,-2.6 -2,-0.3 2,-0.3 -0.949 17.7 140.2-150.3 136.3 6.8 0.4 17.2 50 51 A G E +GH 20 179B 0 129,-2.1 129,-2.7 -2,-0.3 2,-0.3 -0.982 2.7 126.7-170.0 167.1 4.0 2.5 15.6 51 52 A G E -GH 19 178B 0 -32,-2.0 -32,-1.9 -2,-0.3 2,-0.3 -0.965 47.6 -73.9 165.1-175.8 0.4 3.4 15.4 52 53 A K E +GH 18 177B 0 125,-0.7 125,-2.8 -2,-0.3 -34,-0.2 -0.801 64.0 95.8-108.8 154.0 -2.2 6.2 15.5 53 54 A G E -GH 17 176B 1 -36,-2.8 -36,-1.8 -2,-0.3 2,-0.4 -0.760 68.3 -22.1 171.9-122.1 -3.5 8.2 18.4 54 55 A W E - H 0 175B 56 121,-3.4 121,-2.4 -2,-0.2 3,-0.2 -0.950 32.0-139.8-131.7 140.9 -2.7 11.5 20.0 55 56 A Q S S+ 0 0 111 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.801 102.8 32.6 -67.3 -31.5 0.3 13.8 20.1 56 57 A T S S- 0 0 83 118,-0.1 -1,-0.2 119,-0.1 118,-0.2 -0.983 88.3-136.2-126.8 120.2 -0.4 14.4 23.8 57 58 A G + 0 0 6 116,-3.1 2,-0.3 -2,-0.4 115,-0.2 -0.191 28.4 162.5 -67.6 161.8 -1.9 11.6 26.0 58 59 A S - 0 0 41 2,-0.1 97,-0.0 -4,-0.0 -4,-0.0 -0.859 57.0 -76.3-154.1-169.6 -4.7 11.9 28.6 59 60 A R S S+ 0 0 131 -2,-0.3 97,-0.6 96,-0.1 98,-0.1 0.069 78.5 141.6 -82.4 18.1 -7.2 9.8 30.5 60 61 A R - 0 0 72 95,-0.1 95,-0.7 1,-0.1 2,-0.4 -0.238 57.6-115.0 -57.6 153.4 -9.3 9.5 27.4 61 62 A N E -D 154 0A 94 93,-0.2 2,-0.5 94,-0.1 93,-0.2 -0.808 32.4-153.0 -90.4 136.3 -11.0 6.2 26.7 62 63 A I E -D 153 0A 0 91,-2.6 91,-3.2 -2,-0.4 2,-0.4 -0.950 10.7-168.3-122.7 125.5 -9.7 4.6 23.6 63 64 A T E +D 152 0A 60 -2,-0.5 130,-2.3 89,-0.3 2,-0.3 -0.891 13.8 166.7-112.6 143.8 -11.5 2.2 21.3 64 65 A Y E -DE 151 192A 3 87,-2.5 87,-2.6 -2,-0.4 2,-0.3 -0.988 11.6-174.4-152.9 155.8 -9.9 0.1 18.6 65 66 A S E + E 0 191A 66 126,-1.6 126,-2.7 -2,-0.3 2,-0.4 -0.949 34.2 74.0-145.9 162.4 -10.7 -2.8 16.3 66 67 A G E - E 0 190A 42 83,-0.5 2,-0.3 -2,-0.3 124,-0.2 -0.989 67.3 -50.6 141.9-141.7 -8.8 -5.0 13.8 67 68 A S E - E 0 189A 64 122,-2.4 122,-2.3 -2,-0.4 2,-0.3 -0.976 30.2-177.4-142.8 153.2 -6.2 -7.7 13.6 68 69 A F E + E 0 188A 23 -2,-0.3 2,-0.3 120,-0.2 120,-0.2 -0.966 12.8 166.5-151.4 133.6 -2.7 -8.5 14.8 69 70 A N E + E 0 187A 108 118,-2.7 118,-2.6 -2,-0.3 27,-0.1 -0.966 7.5 152.6-156.2 130.6 -0.5 -11.5 14.0 70 71 A T - 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J 0 88B 3 93,-1.8 92,-2.9 -2,-0.3 2,-0.3 -0.939 9.4-167.7-132.2 153.2 5.4 8.2 27.0 82 83 A T E > -IJ 172 87B 0 5,-1.9 5,-2.0 -2,-0.3 2,-0.3 -0.906 15.9-140.3-125.6 164.3 5.7 10.8 29.8 83 84 A T E 5S+I 171 0B 42 88,-2.0 88,-2.7 -2,-0.3 3,-0.3 -0.906 71.4 47.6-122.5 153.4 8.6 13.1 30.7 84 85 A N T 5S+ 0 0 151 -2,-0.3 -1,-0.2 86,-0.2 2,-0.1 0.910 128.7 33.2 43.0 69.9 9.9 14.1 34.2 85 86 A P T 5S- 0 0 63 0, 0.0 2,-0.6 0, 0.0 85,-0.4 0.401 107.1-138.7 -80.8 152.2 9.8 11.3 35.0 86 87 A L T 5 + 0 0 34 -3,-0.3 52,-0.7 -2,-0.1 2,-0.4 -0.664 37.3 167.5 -67.2 113.5 10.7 9.6 31.6 87 88 A V E < -Jk 82 138B 1 -5,-2.0 -5,-1.9 -2,-0.6 2,-0.6 -1.000 31.9-156.6-136.9 136.3 8.4 6.6 31.4 88 89 A E E -Jk 81 139B 12 50,-1.6 52,-1.6 -2,-0.4 2,-0.3 -0.964 27.7-168.8-105.6 121.9 7.4 4.3 28.6 89 90 A Y E -Jk 80 140B 0 -9,-3.0 -9,-2.1 -2,-0.6 2,-0.3 -0.849 10.7-170.2-118.5 156.1 4.0 2.8 29.4 90 91 A Y E -Jk 79 141B 6 50,-2.4 52,-2.2 -2,-0.3 2,-0.5 -0.999 21.3-167.1-143.2 137.3 2.0 -0.0 27.9 91 92 A V E -Jk 78 142B 0 -13,-2.9 -13,-2.5 -2,-0.3 2,-0.5 -0.922 32.0-158.7-118.8 100.2 -1.6 -1.5 28.2 92 93 A V E +Jk 77 143B 0 50,-3.3 52,-2.8 -2,-0.5 -15,-0.2 -0.726 27.6 166.7 -92.9 122.8 -1.0 -4.8 26.4 93 94 A D E + 0 0 0 -17,-2.4 55,-2.8 -2,-0.5 2,-0.3 0.704 69.9 11.4-103.9 -28.9 -4.0 -6.6 24.9 94 95 A S E +J 76 0B 12 -18,-1.7 -18,-2.6 53,-0.3 -1,-0.3 -0.974 59.0 179.5-147.0 161.1 -2.2 -9.1 22.8 95 96 A W E -J 75 0B 29 -2,-0.3 -20,-0.2 -20,-0.3 -25,-0.1 -0.923 21.2-131.5-148.8 170.4 1.3 -10.5 22.1 96 97 A G S S- 0 0 10 -22,-2.0 -23,-0.2 2,-0.4 -1,-0.2 0.564 77.7 -22.2 -94.0-114.0 3.0 -13.1 19.9 97 98 A S S S+ 0 0 60 -25,-2.2 2,-0.5 1,-0.1 -24,-0.2 0.806 126.1 49.8 -69.0 -35.8 5.4 -15.8 21.3 98 99 A W S S- 0 0 175 -26,-0.2 -2,-0.4 -24,-0.2 -24,-0.2 -0.942 71.5-140.4-122.9 124.7 6.4 -14.1 24.5 99 100 A R - 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