==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAY-08 2VUJ . 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, . 195 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 72.8 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 . 96 49.2 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 . 3 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 . 17 8.7 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 3 2 2 1 0 1 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 3 A Q 0 0 174 0, 0.0 2,-0.5 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 148.9 -1.9 11.1 3.4 2 4 A T E -A 31 0A 71 29,-2.0 29,-3.9 2,-0.0 2,-0.4 -0.978 360.0-162.4-125.2 117.1 -4.2 8.9 1.3 3 5 A a E -A 30 0A 63 -2,-0.5 2,-0.3 27,-0.3 27,-0.3 -0.857 6.7-171.1-104.1 129.1 -3.8 5.2 1.9 4 6 A L E -A 29 0A 23 25,-2.8 25,-3.0 -2,-0.4 3,-0.1 -0.889 17.7-176.4-120.5 149.7 -5.2 2.7 -0.6 5 7 A T + 0 0 86 -2,-0.3 22,-0.4 23,-0.2 2,-0.3 0.372 69.1 45.6-126.4 -4.4 -5.5 -1.1 -0.4 6 8 A S S S- 0 0 80 23,-0.1 -1,-0.1 20,-0.1 16,-0.1 -0.968 101.0 -58.0-140.1 160.7 -6.7 -2.0 -3.8 7 9 A S + 0 0 60 14,-0.4 2,-0.3 -2,-0.3 13,-0.2 0.057 63.6 148.2 -36.3 127.7 -5.9 -1.2 -7.4 8 10 A Q E -F 19 0B 89 11,-2.5 11,-1.4 -4,-0.1 2,-0.3 -0.926 30.0-162.6-164.4 138.8 -6.0 2.4 -8.4 9 11 A T E +F 18 0B 84 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.869 39.6 109.4-112.0 156.5 -4.5 4.9 -10.8 10 12 A G E -F 17 0B 21 7,-2.1 7,-2.2 -2,-0.3 2,-0.4 -0.971 59.5 -69.5 174.3-159.1 -4.8 8.7 -10.3 11 13 A T E -F 16 0B 100 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.968 33.9-178.0-128.1 150.8 -3.0 11.8 -9.4 12 14 A N E > -F 15 0B 20 3,-3.2 3,-1.7 -2,-0.4 20,-0.1 -0.923 67.4 -21.5-151.5 117.4 -1.7 13.0 -6.1 13 15 A N T 3 S- 0 0 100 -2,-0.3 3,-0.1 1,-0.3 19,-0.0 0.874 129.4 -44.0 52.4 45.2 0.1 16.2 -5.1 14 16 A G T 3 S+ 0 0 83 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.438 121.5 103.1 79.5 5.6 1.1 17.0 -8.7 15 17 A F E < -F 12 0B 38 -3,-1.7 -3,-3.2 19,-0.2 -1,-0.2 -0.911 67.1-128.2-122.4 143.1 2.2 13.4 -9.4 16 18 A Y E -FG 11 52B 23 36,-2.2 36,-2.7 -2,-0.4 2,-0.3 -0.517 28.9-170.3 -74.9 151.9 0.7 10.5 -11.3 17 19 A Y E -FG 10 51B 11 -7,-2.2 -7,-2.1 34,-0.3 2,-0.4 -0.989 14.6-168.9-141.3 148.2 0.5 7.2 -9.5 18 20 A S E +FG 9 50B 7 32,-1.9 32,-2.7 -2,-0.3 2,-0.4 -0.994 9.0 177.3-129.6 139.1 -0.4 3.6 -10.5 19 21 A F E +FG 8 49B 2 -11,-1.4 -11,-2.5 -2,-0.4 2,-0.4 -0.976 6.1 172.9-142.1 122.4 -1.0 0.9 -7.9 20 22 A W E + G 0 48B 96 28,-3.1 28,-2.2 -2,-0.4 2,-0.3 -0.991 5.2 162.8-135.1 139.9 -2.0 -2.7 -8.9 21 23 A K E - G 0 47B 23 -2,-0.4 -14,-0.4 26,-0.2 26,-0.2 -0.972 30.4-129.0-146.0 145.7 -2.5 -5.9 -6.9 22 24 A D - 0 0 41 24,-1.8 23,-0.2 -2,-0.3 24,-0.1 -0.309 51.8 -80.8 -77.2-179.6 -4.2 -9.3 -7.6 23 25 A S S S+ 0 0 113 -2,-0.1 -1,-0.0 21,-0.1 21,-0.0 0.841 94.8 90.8 -62.4 -46.5 -6.6 -10.6 -4.9 24 26 A P S S- 0 0 62 0, 0.0 21,-0.6 0, 0.0 22,-0.2 -0.054 82.7 -12.4 -57.8 148.8 -4.4 -12.3 -2.2 25 27 A G S S- 0 0 36 19,-0.2 2,-0.4 18,-0.1 18,-0.2 0.068 83.6 -60.3 70.7-170.3 -2.9 -10.5 0.8 26 28 A T E - B 0 42A 72 16,-2.3 16,-1.7 2,-0.0 2,-0.4 -0.948 32.5-176.9-121.7 129.7 -2.6 -6.8 1.9 27 29 A V E - B 0 41A 0 -22,-0.4 2,-0.8 -2,-0.4 14,-0.2 -0.997 9.7-162.9-121.0 127.5 -0.9 -3.8 0.3 28 30 A N E - B 0 40A 58 12,-2.2 12,-0.8 -2,-0.4 2,-0.7 -0.914 15.9-179.2-104.9 99.1 -1.0 -0.6 2.2 29 31 A F E -AB 4 39A 0 -25,-3.0 -25,-2.8 -2,-0.8 2,-0.5 -0.908 6.5-170.1-110.0 104.8 -0.1 1.9 -0.5 30 32 A a E -AB 3 38A 13 8,-2.3 8,-2.4 -2,-0.7 2,-0.6 -0.869 15.7-145.4-111.7 122.9 -0.0 5.4 1.0 31 33 A L E -AB 2 37A 4 -29,-3.9 -29,-2.0 -2,-0.5 6,-0.2 -0.763 26.0-179.4 -87.4 117.4 0.3 8.6 -1.0 32 34 A Q - 0 0 21 4,-2.1 4,-0.1 -2,-0.6 -1,-0.0 -0.293 37.5 -52.8-100.6-169.8 2.3 11.3 0.8 33 35 A S S > S- 0 0 97 -2,-0.1 3,-1.9 2,-0.1 -1,-0.2 -0.194 101.3 -14.5 -64.7 154.9 3.3 14.9 0.0 34 36 A G T 3 S- 0 0 35 1,-0.2 -19,-0.2 -3,-0.1 158,-0.1 -0.229 130.6 -20.7 55.5-134.3 5.1 15.8 -3.2 35 37 A G T 3 S+ 0 0 5 156,-0.3 156,-2.2 -21,-0.1 2,-0.4 0.123 107.2 119.3 -94.1 19.9 6.5 12.8 -5.1 36 38 A R E < + C 0 190A 89 -3,-1.9 -4,-2.1 154,-0.3 2,-0.3 -0.693 30.7 163.0 -95.6 135.9 6.6 10.5 -2.0 37 39 A Y E -BC 31 189A 0 152,-2.5 152,-2.4 -2,-0.4 2,-0.3 -0.969 18.2-152.5-138.6 156.9 4.7 7.2 -1.5 38 40 A T E -BC 30 188A 26 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.3 -0.947 11.5-173.8-123.4 153.8 5.1 4.4 1.0 39 41 A S E +BC 29 187A 3 148,-2.7 148,-2.3 -2,-0.3 2,-0.3 -0.985 12.5 178.1-140.6 150.7 4.2 0.7 0.7 40 42 A N E -BC 28 186A 69 -12,-0.8 -12,-2.2 -2,-0.3 2,-0.3 -0.960 14.4-169.7-139.6 149.3 4.0 -2.4 2.8 41 43 A W E +BC 27 185A 5 144,-2.6 144,-2.0 -2,-0.3 2,-0.3 -0.978 7.3 179.5-141.1 155.9 2.9 -5.7 1.6 42 44 A S E -B 26 0A 69 -16,-1.7 -16,-2.3 -2,-0.3 142,-0.2 -0.928 67.4 -6.0-161.2 123.7 2.0 -9.1 3.2 43 45 A G S S+ 0 0 54 -2,-0.3 141,-0.1 -18,-0.2 2,-0.1 0.742 89.8 151.7 62.7 24.2 0.8 -12.5 2.0 44 46 A I - 0 0 6 139,-1.1 -19,-0.2 -18,-0.2 -1,-0.2 -0.412 46.2-151.9 -83.1 160.2 0.4 -11.1 -1.5 45 47 A N S S- 0 0 51 -21,-0.6 137,-2.2 1,-0.3 2,-0.3 0.857 77.2 -22.8 -89.1 -58.7 0.6 -12.9 -4.8 46 48 A N E + H 0 181B 31 135,-0.2 -24,-1.8 -22,-0.2 2,-0.3 -0.972 64.9 163.4-155.4 141.3 1.8 -9.9 -7.0 47 49 A W E -GH 21 180B 0 133,-1.6 133,-2.0 -2,-0.3 2,-0.3 -0.978 8.7-176.3-153.4 148.1 1.6 -6.1 -6.8 48 50 A V E +GH 20 179B 7 -28,-2.2 -28,-3.1 -2,-0.3 2,-0.3 -0.975 19.7 142.6-146.1 138.1 3.3 -3.1 -8.4 49 51 A G E +GH 19 178B 0 129,-2.1 129,-2.5 -2,-0.3 2,-0.3 -0.976 3.7 129.5-168.6 162.4 2.9 0.6 -7.7 50 52 A G E -GH 18 177B 0 -32,-2.7 -32,-1.9 -2,-0.3 2,-0.3 -0.984 44.7 -77.9 169.2-178.8 4.5 4.0 -7.4 51 53 A K E +GH 17 176B 0 125,-0.8 125,-2.7 -2,-0.3 -34,-0.3 -0.772 62.2 94.9-107.1 155.8 4.5 7.6 -8.3 52 54 A G E -GH 16 175B 1 -36,-2.7 -36,-2.2 -2,-0.3 2,-0.3 -0.800 66.9 -20.9 173.8-122.4 5.7 9.3 -11.5 53 55 A W E - H 0 174B 31 121,-2.6 121,-2.5 -2,-0.2 3,-0.2 -0.910 30.0-140.8-129.8 140.2 4.2 10.6 -14.7 54 56 A Q S S+ 0 0 124 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.835 103.1 35.3 -60.3 -36.8 1.0 9.9 -16.7 55 57 A T S S- 0 0 89 118,-0.1 -1,-0.3 119,-0.1 118,-0.2 -0.971 86.8-139.6-129.1 109.5 3.2 10.1 -19.9 56 58 A G + 0 0 6 116,-3.5 2,-0.3 -2,-0.5 115,-0.2 -0.186 28.8 161.9 -57.5 157.9 6.7 8.8 -19.8 57 59 A S - 0 0 40 2,-0.1 97,-0.0 -4,-0.0 -4,-0.0 -0.877 57.0 -76.0-155.4-170.0 9.6 10.6 -21.6 58 60 A R S S+ 0 0 131 -2,-0.3 97,-0.5 96,-0.1 98,-0.1 0.156 78.6 140.6 -83.5 18.3 13.4 10.9 -21.6 59 61 A R - 0 0 48 95,-0.1 95,-0.8 1,-0.1 2,-0.5 -0.236 60.4-113.5 -54.6 147.7 13.3 12.9 -18.4 60 62 A N E -D 153 0A 82 133,-0.3 2,-0.6 93,-0.2 135,-0.3 -0.788 33.2-149.7 -85.2 129.3 16.0 12.1 -15.8 61 63 A I E -D 152 0A 0 91,-2.4 91,-3.3 -2,-0.5 2,-0.4 -0.913 11.9-168.5-112.4 119.7 14.3 10.5 -12.8 62 64 A T E +DE 151 192A 21 130,-2.9 130,-1.5 -2,-0.6 2,-0.3 -0.897 11.9 171.7-106.6 132.1 15.8 10.9 -9.3 63 65 A Y E +DE 150 191A 4 87,-2.6 87,-2.4 -2,-0.4 2,-0.3 -0.947 8.1 177.6-136.8 160.7 14.6 8.9 -6.3 64 66 A S E + E 0 190A 69 126,-1.3 126,-2.2 -2,-0.3 2,-0.4 -0.991 30.8 70.4-154.7 156.3 15.5 8.2 -2.6 65 67 A G E S- E 0 189A 45 83,-0.3 2,-0.3 -2,-0.3 124,-0.2 -0.988 70.8 -37.6 140.2-146.4 14.4 6.3 0.4 66 68 A S E - E 0 188A 59 122,-1.9 122,-2.2 -2,-0.4 2,-0.3 -0.848 32.0-175.6-122.9 155.4 14.1 2.7 1.7 67 69 A F E - 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J 0 87B 6 93,-1.9 92,-2.9 -2,-0.3 2,-0.3 -0.948 10.5-166.8-135.9 152.0 4.6 1.1 -20.6 81 83 A T E > -IJ 171 86B 0 5,-2.0 5,-2.2 -2,-0.3 2,-0.3 -0.927 15.4-142.2-125.0 163.5 4.5 2.0 -24.3 82 84 A T E 5S+I 170 0B 40 88,-2.3 88,-2.5 -2,-0.3 3,-0.3 -0.869 71.9 53.2-118.2 159.2 2.0 1.2 -26.9 83 85 A N T 5S+ 0 0 145 -2,-0.3 -1,-0.2 86,-0.2 87,-0.1 0.955 128.3 31.2 47.2 68.3 2.5 0.3 -30.6 84 86 A P T 5S- 0 0 59 0, 0.0 2,-0.6 0, 0.0 85,-0.5 0.527 108.0-134.2 -73.3 148.8 4.5 -1.9 -29.7 85 87 A L T 5 + 0 0 22 -3,-0.3 52,-1.1 50,-0.2 2,-0.4 -0.671 39.0 172.7 -67.6 114.5 2.9 -2.8 -26.3 86 88 A V E < -Jk 81 137B 1 -5,-2.2 -5,-2.0 -2,-0.6 2,-0.5 -0.996 29.6-161.0-133.7 134.3 6.0 -2.8 -24.0 87 89 A E E -Jk 80 138B 19 50,-1.5 52,-1.4 -2,-0.4 2,-0.3 -0.992 27.7-170.3-107.8 120.8 6.3 -3.2 -20.2 88 90 A Y E -Jk 79 139B 0 -9,-2.6 -9,-1.7 -2,-0.5 2,-0.3 -0.845 14.5-170.7-119.9 154.9 9.7 -1.9 -19.2 89 91 A Y E -Jk 78 140B 7 50,-2.2 52,-2.0 -2,-0.3 2,-0.5 -0.994 18.5-167.1-136.4 138.2 12.0 -1.9 -16.0 90 92 A V E -Jk 77 141B 1 -13,-2.5 -13,-2.3 -2,-0.3 2,-0.6 -0.932 30.9-157.4-120.2 104.6 15.2 -0.3 -14.9 91 93 A V E +Jk 76 142B 0 50,-3.4 52,-2.8 -2,-0.5 -15,-0.3 -0.771 26.3 167.9 -92.5 116.1 15.8 -2.3 -11.8 92 94 A D E + 0 0 0 -17,-2.1 55,-2.2 -2,-0.6 2,-0.3 0.816 69.7 9.3 -95.2 -38.9 18.1 -0.8 -9.2 93 95 A S E +J 75 0B 7 -18,-1.7 -18,-2.5 53,-0.3 2,-0.3 -0.928 60.4 178.0-134.8 167.8 17.4 -3.2 -6.3 94 96 A W E -J 74 0B 26 -2,-0.3 -20,-0.2 -20,-0.2 -25,-0.2 -0.938 20.1-131.3-154.1 172.6 15.7 -6.5 -5.7 95 97 A G S S- 0 0 7 -22,-2.0 -23,-0.3 2,-0.3 -1,-0.1 0.500 75.2 -20.7 -98.3-116.3 15.1 -8.9 -2.9 96 98 A S S S+ 0 0 81 -25,-2.1 2,-0.4 1,-0.1 -24,-0.2 0.663 126.1 49.0 -71.1 -16.9 15.6 -12.7 -2.9 97 99 A W S S- 0 0 117 -26,-0.3 -2,-0.3 -24,-0.2 -24,-0.2 -0.975 74.4-138.1-139.4 112.1 15.5 -13.2 -6.7 98 100 A R - 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