==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-10 3LGR . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR G.POMPIDOR,R.KAHN,O.MAURY . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 48.9 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 1.1 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 . 19 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 0 1 2 2 1 3 2 0 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 1 A X 0 0 99 0, 0.0 28,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 170.3 51.4 5.4 1.8 2 2 A T E -A 28 0A 95 26,-0.3 2,-0.4 24,-0.0 26,-0.2 -0.558 360.0-177.0 -68.9 119.1 53.0 8.8 2.3 3 3 A I E -A 27 0A 37 24,-2.2 24,-0.5 -2,-0.3 3,-0.1 -0.933 28.7-122.6-125.3 155.4 51.1 11.1 0.0 4 4 A Q - 0 0 168 -2,-0.4 13,-0.1 1,-0.2 22,-0.0 -0.429 61.4 -61.8 -82.0 164.9 51.0 14.6 -1.1 5 5 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.186 84.9 99.2 -50.3 142.2 47.9 16.7 -0.6 6 6 A G E -F 17 0B 32 11,-1.6 11,-2.5 -3,-0.1 2,-0.3 -0.958 58.8-103.7 166.7-175.5 44.7 15.5 -2.3 7 7 A T E +F 16 0B 91 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.907 50.6 109.3-131.7 159.4 41.5 13.7 -1.8 8 8 A G E -F 15 0B 16 7,-1.9 7,-2.6 -2,-0.3 2,-0.4 -0.976 60.3 -62.8 169.2-156.7 40.4 10.2 -2.8 9 9 A Y E -F 14 0B 150 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.977 35.6-179.1-123.7 146.6 39.5 6.8 -1.4 10 10 A N E > S-F 13 0B 23 3,-2.6 3,-1.6 -2,-0.4 20,-0.1 -0.959 70.7 -19.7-148.3 117.9 41.8 4.3 0.4 11 11 A N T 3 S- 0 0 100 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.806 129.5 -44.8 54.7 36.3 40.8 0.9 1.7 12 12 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.491 120.0 99.0 95.6 -4.2 37.1 1.7 1.7 13 13 A Y E < S-F 10 0B 48 -3,-1.6 -3,-2.6 19,-0.2 -1,-0.2 -0.946 70.1-122.4-123.3 138.5 37.3 5.2 3.3 14 14 A F E -FG 9 50B 10 36,-2.2 36,-2.6 -2,-0.4 2,-0.3 -0.523 32.9-167.6 -65.6 145.5 37.4 8.7 1.9 15 15 A Y E -FG 8 49B 39 -7,-2.6 -7,-1.9 34,-0.2 2,-0.3 -0.986 14.1-171.9-133.0 155.6 40.4 10.7 2.8 16 16 A S E +FG 7 48B 10 32,-2.1 32,-2.2 -2,-0.3 2,-0.4 -0.983 4.4 177.6-139.8 134.2 41.3 14.3 2.5 17 17 A Y E +FG 6 47B 10 -11,-2.5 -11,-1.6 -2,-0.3 2,-0.4 -0.979 8.5 174.0-133.9 119.1 44.8 15.8 3.2 18 18 A W E - G 0 46B 110 28,-2.9 28,-2.4 -2,-0.4 2,-0.4 -0.980 5.5-176.4-126.6 141.3 45.2 19.6 2.7 19 19 A N E - G 0 45B 25 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.998 27.2-135.7-140.3 135.7 48.4 21.6 3.5 20 20 A D - 0 0 54 24,-2.7 25,-0.1 -2,-0.4 -1,-0.0 0.472 56.9 -92.1 -75.7 -2.0 48.8 25.3 3.2 21 21 A G S S+ 0 0 71 23,-0.2 -1,-0.1 2,-0.1 24,-0.1 0.315 98.1 109.3 112.2 -6.7 52.3 25.2 1.6 22 22 A H - 0 0 113 22,-0.2 23,-0.1 1,-0.2 -2,-0.0 0.502 65.4-150.7 -80.4 -6.9 54.6 25.4 4.7 23 23 A G + 0 0 34 1,-0.1 20,-0.5 19,-0.1 -1,-0.2 -0.227 58.5 111.1 67.2-164.5 55.7 21.8 4.5 24 24 A G + 0 0 39 1,-0.2 16,-2.8 18,-0.2 2,-0.4 0.627 55.1 110.5 73.6 16.0 56.7 19.9 7.6 25 25 A V E - B 0 39A 18 14,-0.2 2,-0.7 16,-0.1 14,-0.2 -0.991 45.8-167.0-128.0 126.0 53.7 17.4 7.5 26 26 A T E - B 0 38A 67 12,-3.0 12,-2.3 -2,-0.4 2,-0.5 -0.943 12.6-175.8-115.2 103.5 54.0 13.7 6.7 27 27 A Y E -AB 3 37A 1 -2,-0.7 -24,-2.2 -24,-0.5 2,-0.4 -0.912 3.5-177.5 -99.5 129.2 50.5 12.3 6.1 28 28 A T E -AB 2 36A 32 8,-2.5 8,-2.8 -2,-0.5 2,-0.4 -0.991 20.3-141.4-132.3 126.6 50.3 8.6 5.5 29 29 A N E - B 0 35A 7 -28,-2.0 6,-0.3 -2,-0.4 3,-0.1 -0.754 27.8-171.7 -80.3 135.7 47.3 6.4 4.6 30 30 A G - 0 0 10 4,-3.0 4,-0.1 -2,-0.4 -1,-0.0 -0.465 33.1 -54.8-111.4-169.1 47.2 3.0 6.3 31 31 A P S > S- 0 0 100 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.259 102.2 -16.7 -67.5 154.1 45.3 -0.2 6.2 32 32 A G T 3 S- 0 0 36 1,-0.3 -19,-0.2 -3,-0.1 -2,-0.1 -0.197 134.7 -17.7 57.5-133.1 41.5 -0.1 6.7 33 33 A G T 3 S+ 0 0 5 156,-0.3 156,-2.3 -21,-0.1 2,-0.3 0.158 106.5 124.4 -91.1 18.4 40.4 3.2 8.3 34 34 A Q E < + C 0 188A 34 -3,-2.1 -4,-3.0 154,-0.3 2,-0.3 -0.595 27.2 162.2 -88.0 137.6 43.9 4.2 9.5 35 35 A F E -BC 29 187A 0 152,-2.4 152,-2.6 -2,-0.3 2,-0.3 -0.985 16.6-156.3-140.3 155.8 45.9 7.2 8.8 36 36 A S E -BC 28 186A 20 -8,-2.8 -8,-2.5 -2,-0.3 2,-0.4 -0.959 3.7-167.8-129.1 154.3 48.9 8.8 10.5 37 37 A V E +BC 27 185A 0 148,-2.3 148,-2.1 -2,-0.3 2,-0.4 -0.994 5.1 179.9-139.6 130.1 50.3 12.3 10.6 38 38 A N E +BC 26 184A 83 -12,-2.3 -12,-3.0 -2,-0.4 2,-0.3 -0.998 17.3 178.7-127.0 126.7 53.7 13.5 11.9 39 39 A W E -BC 25 183A 10 144,-2.9 144,-2.5 -2,-0.4 2,-0.3 -0.966 18.5-173.8-137.0 149.7 54.5 17.2 11.7 40 40 A S S S- 0 0 70 -16,-2.8 142,-0.2 -2,-0.3 140,-0.0 -0.937 76.7 -17.3-143.4 120.3 57.2 19.6 12.6 41 41 A N S S+ 0 0 131 -2,-0.3 141,-0.2 140,-0.1 -16,-0.1 0.930 91.9 172.1 48.7 51.8 57.0 23.4 12.4 42 42 A S - 0 0 5 139,-2.5 -18,-0.2 -18,-0.2 -1,-0.1 -0.127 32.8-138.0 -70.3 176.0 54.0 23.1 10.1 43 43 A G - 0 0 0 -20,-0.5 137,-1.9 1,-0.2 2,-0.4 0.037 63.4 -44.1 -98.8-137.8 51.7 25.7 8.8 44 44 A N E S+ H 0 179B 29 135,-0.3 -24,-2.7 136,-0.1 2,-0.3 -0.813 71.5 157.6 -94.2 131.9 48.0 24.9 8.7 45 45 A F E -GH 19 178B 1 133,-1.9 133,-2.0 -2,-0.4 2,-0.3 -0.982 24.3-159.3-143.6 162.5 47.0 21.5 7.5 46 46 A V E +GH 18 177B 10 -28,-2.4 -28,-2.9 -2,-0.3 2,-0.3 -0.979 19.2 165.4-143.9 126.4 44.0 19.1 7.8 47 47 A G E +GH 17 176B 0 129,-2.7 129,-2.6 -2,-0.3 2,-0.3 -0.999 12.1 101.9-144.5 141.5 44.1 15.4 7.2 48 48 A G E -GH 16 175B 0 -32,-2.2 -32,-2.1 -2,-0.3 2,-0.3 -0.983 45.0 -91.7 175.1-168.2 42.0 12.3 7.9 49 49 A K E +GH 15 174B 0 125,-1.1 125,-2.8 -2,-0.3 2,-0.2 -0.835 50.5 95.4-129.8 155.0 39.6 9.5 6.8 50 50 A G E -GH 14 173B 0 -36,-2.6 -36,-2.2 -2,-0.3 2,-0.3 -0.783 62.7 -25.6 173.0-120.3 35.9 8.8 6.7 51 51 A W E - H 0 172B 47 121,-2.9 121,-2.4 -2,-0.2 3,-0.2 -0.937 37.4-128.1-134.3 150.0 33.0 9.1 4.3 52 52 A Q S S+ 0 0 63 1,-0.4 119,-0.2 -2,-0.3 2,-0.1 -0.930 103.8 15.8-136.8 107.9 31.9 11.0 1.2 53 53 A P S S- 0 0 78 0, 0.0 -1,-0.4 0, 0.0 118,-0.3 0.652 88.7-153.8 -82.8 166.0 29.2 12.0 1.8 54 54 A G - 0 0 6 116,-2.8 2,-0.3 -3,-0.2 115,-0.1 -0.200 14.7-128.0 -79.6-173.7 28.6 11.7 5.6 55 55 A T > - 0 0 51 -2,-0.1 3,-0.6 113,-0.1 115,-0.1 -0.875 16.8-116.1-135.1 168.6 25.1 11.4 7.2 56 56 A K T 3 S+ 0 0 98 -2,-0.3 100,-0.1 1,-0.2 -2,-0.0 0.410 111.8 35.9 -89.8 5.5 23.2 13.1 9.9 57 57 A N T 3 S+ 0 0 117 95,-0.1 -1,-0.2 96,-0.1 2,-0.1 0.146 78.5 141.5-143.5 26.6 23.1 10.0 12.2 58 58 A K < - 0 0 44 -3,-0.6 94,-1.9 93,-0.1 2,-0.6 -0.416 42.5-145.9 -71.6 142.9 26.4 8.3 11.8 59 59 A V E -D 151 0A 68 92,-0.2 2,-0.5 93,-0.1 92,-0.2 -0.958 23.1-160.0-105.3 114.7 28.1 6.8 14.8 60 60 A I E -D 150 0A 0 90,-2.4 90,-2.7 -2,-0.6 2,-0.4 -0.864 5.9-159.7-108.1 126.2 31.8 7.3 14.3 61 61 A N E +D 149 0A 51 129,-2.8 129,-2.3 -2,-0.5 2,-0.3 -0.831 12.1 176.2-103.5 145.0 34.5 5.4 16.1 62 62 A F E +DE 148 189A 7 86,-2.6 86,-2.8 -2,-0.4 2,-0.3 -0.990 2.9 166.9-141.7 151.6 38.1 6.4 16.5 63 63 A S E + E 0 188A 54 125,-1.4 125,-3.1 -2,-0.3 2,-0.4 -0.990 29.0 66.7-158.8 159.5 41.1 5.0 18.2 64 64 A G E S- E 0 187A 41 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.981 76.7 -35.9 133.9-145.2 44.8 5.4 18.4 65 65 A S E - E 0 186A 50 121,-2.5 121,-3.1 -2,-0.4 2,-0.3 -0.945 36.2-176.6-127.9 142.4 47.2 8.0 19.5 66 66 A Y E + E 0 185A 8 -2,-0.4 119,-0.2 119,-0.2 27,-0.1 -0.920 10.5 165.3-144.0 108.8 47.1 11.8 19.4 67 67 A N E + E 0 184A 95 117,-3.3 117,-1.6 -2,-0.3 2,-0.1 -0.714 10.8 177.1-131.5 71.6 50.2 13.8 20.6 68 68 A P E - E 0 183A 36 0, 0.0 2,-0.3 0, 0.0 115,-0.3 -0.505 20.4-156.6 -74.6 150.5 50.1 17.4 19.5 69 69 A N E S- E 0 182A 128 113,-3.3 113,-1.4 -2,-0.1 2,-0.3 -0.731 71.9 -19.7-126.2 77.8 52.8 19.8 20.6 70 70 A G S S+ 0 0 17 -2,-0.3 25,-1.3 111,-0.2 2,-0.6 -0.922 119.2 11.0 125.7-149.4 50.9 23.1 20.2 71 71 A N S S+ 0 0 26 108,-0.4 108,-2.5 -2,-0.3 2,-0.3 -0.571 80.5 127.2 -74.4 110.9 47.9 24.2 18.2 72 72 A S E -I 178 0B 0 -2,-0.6 22,-2.3 106,-0.3 2,-0.3 -0.972 38.4-150.3-159.9 150.3 46.1 21.2 16.9 73 73 A Y E -IJ 177 93B 21 104,-2.3 104,-2.5 -2,-0.3 2,-0.4 -0.965 7.1-158.7-125.8 153.8 42.6 19.6 16.9 74 74 A L E +IJ 176 92B 0 18,-2.6 17,-2.5 -2,-0.3 18,-1.6 -0.986 42.0 147.0-123.2 116.6 41.3 16.0 16.7 75 75 A S E -IJ 175 90B 4 100,-2.3 100,-2.7 -2,-0.4 2,-0.6 -0.963 61.4-108.3-146.6 153.9 37.7 16.2 15.5 76 76 A V E -IJ 174 89B 1 13,-2.7 13,-2.4 -2,-0.3 2,-0.4 -0.846 58.0-176.3 -77.4 130.6 34.8 14.7 13.5 77 77 A Y E +IJ 173 88B 11 96,-2.9 96,-2.8 -2,-0.6 2,-0.3 -0.979 14.8 120.7-144.5 130.8 35.0 17.2 10.8 78 78 A G E -IJ 172 87B 0 9,-2.1 9,-2.8 -2,-0.4 2,-0.3 -0.983 36.7-112.1-171.6-168.6 32.9 17.9 7.7 79 79 A W E - J 0 86B 6 92,-1.7 91,-3.1 -2,-0.3 2,-0.3 -0.914 7.4-158.5-141.4 160.3 30.7 20.1 5.5 80 80 A S E > -IJ 169 85B 0 5,-1.8 5,-1.6 -2,-0.3 2,-0.3 -0.915 14.8-140.7-126.0 169.0 27.3 20.7 4.2 81 81 A R E 5S+I 168 0B 113 87,-2.3 87,-2.6 -2,-0.3 3,-0.3 -0.943 73.7 47.1-123.1 145.5 26.0 22.6 1.1 82 82 A N T 5S+ 0 0 156 -2,-0.3 -1,-0.2 85,-0.2 86,-0.1 0.965 130.4 31.6 55.1 63.5 22.8 24.8 1.0 83 83 A P T 5S- 0 0 54 0, 0.0 84,-0.7 0, 0.0 2,-0.5 0.476 105.1-141.2 -84.9 159.9 23.6 26.0 3.5 84 84 A L T 5 + 0 0 28 -3,-0.3 51,-0.7 49,-0.1 2,-0.4 -0.691 35.8 161.4 -83.8 113.5 27.4 25.9 3.3 85 85 A I E < -Jk 80 135B 4 -5,-1.6 -5,-1.8 -2,-0.5 2,-0.5 -0.999 32.6-154.3-139.9 138.6 28.8 25.0 6.8 86 86 A E E -Jk 79 136B 17 49,-1.9 51,-1.8 -2,-0.4 2,-0.3 -0.968 29.1-170.6-107.4 129.4 32.1 23.6 8.0 87 87 A Y E -Jk 78 137B 0 -9,-2.8 -9,-2.1 -2,-0.5 2,-0.4 -0.915 14.7-166.5-130.7 155.9 31.5 21.7 11.4 88 88 A Y E -Jk 77 138B 6 49,-2.0 51,-1.7 -2,-0.3 2,-0.5 -0.991 17.2-168.2-141.0 135.7 33.7 20.2 14.1 89 89 A I E -Jk 76 139B 0 -13,-2.4 -13,-2.7 -2,-0.4 2,-0.7 -0.968 32.4-152.8-117.3 99.9 32.9 17.9 17.0 90 90 A V E +Jk 75 140B 0 49,-3.0 51,-2.7 -2,-0.5 -15,-0.3 -0.707 23.9 174.8 -87.9 112.8 36.3 18.4 18.7 91 91 A E E - 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