==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-AUG-96 1YNA . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOMYCES LANUGINOSUS; . AUTHOR K.GRUBER,C.KRATKY . 194 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 48.5 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 . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.6 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 . 1 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 0 1 2 2 1 2 1 1 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 1 A X 0 0 149 0, 0.0 24,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-158.6 -16.9 3.3 29.9 2 2 A T B -a 25 0A 48 22,-0.2 24,-0.2 24,-0.0 3,-0.1 -0.912 360.0-123.7-148.0 123.0 -14.2 1.2 28.2 3 3 A T - 0 0 40 22,-2.1 3,-0.1 -2,-0.3 16,-0.1 -0.355 42.9-112.6 -55.8 127.2 -14.3 -1.9 26.1 4 4 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 -0.287 40.7 -84.4 -60.6 148.7 -12.1 -4.5 27.8 5 5 A N + 0 0 91 14,-0.1 2,-0.3 -3,-0.1 13,-0.2 -0.179 59.3 170.5 -52.3 141.1 -8.9 -5.6 26.1 6 6 A S E +F 17 0B 46 11,-2.1 11,-2.7 -3,-0.1 2,-0.3 -0.995 18.8 179.8-158.4 150.9 -9.5 -8.4 23.6 7 7 A E E +F 16 0B 80 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.982 36.1 75.3-152.6 143.5 -7.7 -10.3 20.8 8 8 A G E S-F 15 0B 16 7,-2.1 7,-2.6 -2,-0.3 2,-0.3 -0.997 72.3 -29.5 155.6-153.2 -8.8 -13.1 18.5 9 9 A W E +F 14 0B 159 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.800 41.1 173.1-104.8 142.2 -10.9 -14.0 15.4 10 10 A H E > S-F 13 0B 48 3,-2.8 3,-1.8 -2,-0.3 20,-0.1 -0.881 71.9 -21.7-148.3 114.6 -14.0 -12.3 14.1 11 11 A D T 3 S- 0 0 75 -2,-0.3 3,-0.1 1,-0.3 19,-0.0 0.849 126.0 -49.0 60.1 37.6 -15.7 -13.1 10.8 12 12 A G T 3 S+ 0 0 67 1,-0.3 2,-0.3 21,-0.0 -1,-0.3 0.360 120.8 101.0 86.7 -8.1 -12.6 -14.6 9.2 13 13 A Y E < S-F 10 0B 54 -3,-1.8 -3,-2.8 19,-0.2 -1,-0.3 -0.838 70.1-124.5-109.9 148.6 -10.3 -11.6 10.3 14 14 A Y E -FG 9 50B 17 36,-2.4 36,-2.6 -2,-0.3 2,-0.3 -0.589 32.0-171.5 -79.0 150.4 -7.9 -11.3 13.1 15 15 A Y E -FG 8 49B 29 -7,-2.6 -7,-2.1 34,-0.2 2,-0.4 -0.995 15.8-167.8-143.2 152.7 -8.4 -8.4 15.5 16 16 A S E -FG 7 48B 9 32,-2.1 32,-2.0 -2,-0.3 2,-0.4 -0.995 5.3-178.2-136.0 133.1 -6.6 -6.7 18.4 17 17 A W E +FG 6 47B 2 -11,-2.7 -11,-2.1 -2,-0.4 2,-0.3 -0.991 13.0 162.8-134.2 123.3 -8.0 -4.2 20.8 18 18 A W E + G 0 46B 101 28,-2.4 28,-3.1 -2,-0.4 2,-0.3 -0.995 8.5 166.1-143.6 135.4 -5.9 -2.6 23.5 19 19 A S E - G 0 45B 6 -2,-0.3 26,-0.2 26,-0.3 -14,-0.1 -0.973 40.8-124.4-141.5 159.5 -6.1 0.4 25.8 20 20 A D - 0 0 75 24,-2.1 25,-0.1 -2,-0.3 -1,-0.0 0.426 51.9-114.5 -81.4 -0.1 -4.2 1.5 28.9 21 21 A G S S+ 0 0 55 23,-0.3 22,-0.1 2,-0.1 24,-0.1 0.275 97.3 95.0 86.1 -8.3 -7.5 1.9 30.8 22 22 A G S S+ 0 0 47 22,-0.2 2,-0.3 2,-0.1 21,-0.2 0.704 71.1 73.9 -86.6 -21.2 -7.2 5.6 31.2 23 23 A A S S- 0 0 2 21,-0.2 2,-0.5 19,-0.2 19,-0.2 -0.660 80.7-122.5 -95.2 151.7 -9.2 6.6 28.1 24 24 A Q + 0 0 128 17,-1.0 16,-2.9 -2,-0.3 2,-0.3 -0.801 53.5 152.6 -81.0 122.2 -13.0 6.5 27.5 25 25 A A E -aB 2 39A 3 -24,-1.6 -22,-2.1 -2,-0.5 2,-0.5 -0.966 38.0-156.3-160.6 142.4 -13.3 4.3 24.5 26 26 A T E - B 0 38A 72 12,-3.1 12,-2.4 -2,-0.3 2,-0.4 -0.988 13.0-171.1-122.8 122.8 -15.7 1.9 22.7 27 27 A Y E - B 0 37A 15 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.958 7.7-177.8-111.3 129.8 -14.3 -0.7 20.2 28 28 A T E - B 0 36A 53 8,-2.9 8,-2.3 -2,-0.4 2,-0.7 -0.987 23.0-140.7-133.3 128.7 -16.7 -2.7 18.1 29 29 A N E - B 0 35A 35 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.780 26.9-171.6 -79.8 118.8 -16.1 -5.5 15.6 30 30 A L - 0 0 57 4,-1.7 4,-0.1 -2,-0.7 2,-0.0 -0.239 39.3 -56.8 -95.1-171.8 -18.5 -5.0 12.6 31 31 A E S > S- 0 0 135 2,-0.1 3,-1.6 -2,-0.1 -1,-0.2 -0.345 99.1 -19.2 -73.0 152.7 -19.0 -7.5 9.8 32 32 A G T 3 S- 0 0 26 1,-0.3 -19,-0.2 -3,-0.1 -22,-0.1 -0.309 131.8 -13.7 59.9-129.5 -16.1 -8.7 7.6 33 33 A G T 3 S+ 0 0 5 157,-0.2 157,-2.1 16,-0.1 2,-0.4 0.136 108.9 112.9 -92.3 20.3 -13.0 -6.6 7.7 34 34 A T E < + C 0 189A 27 -3,-1.6 -4,-1.7 155,-0.2 2,-0.3 -0.770 35.2 167.0-103.3 139.1 -14.8 -3.7 9.3 35 35 A Y E -BC 29 188A 0 153,-2.2 153,-1.7 -2,-0.4 2,-0.4 -0.941 18.0-148.1-139.1 165.5 -14.3 -2.2 12.8 36 36 A E E -BC 28 187A 57 -8,-2.3 -8,-2.9 -2,-0.3 2,-0.4 -0.999 9.5-174.1-140.7 135.3 -15.3 0.9 14.7 37 37 A I E -BC 27 186A 0 149,-2.6 149,-2.4 -2,-0.4 2,-0.4 -0.999 4.4-178.4-130.7 129.9 -13.7 2.9 17.4 38 38 A S E +BC 26 185A 60 -12,-2.4 -12,-3.1 -2,-0.4 2,-0.3 -1.000 19.8 174.5-125.3 129.0 -15.0 5.9 19.3 39 39 A W E -BC 25 184A 11 145,-2.3 145,-2.4 -2,-0.4 -14,-0.2 -0.966 19.2-168.7-140.2 153.5 -12.7 7.5 21.9 40 40 A G - 0 0 19 -16,-2.9 142,-0.4 -2,-0.3 3,-0.4 -0.730 45.5 -60.0-126.8 178.7 -12.3 10.4 24.3 41 41 A D S S+ 0 0 111 -2,-0.2 -17,-1.0 140,-0.2 -1,-0.2 -0.051 88.3 78.0 -59.5 156.2 -9.4 11.8 26.4 42 42 A G S S- 0 0 24 -19,-0.2 2,-0.3 1,-0.1 -19,-0.2 0.164 87.1 -22.6 137.7 -20.9 -7.5 9.9 29.0 43 43 A G S S- 0 0 1 -3,-0.4 138,-2.0 139,-0.2 139,-0.4 -0.980 74.4 -46.0 177.5-166.4 -4.9 7.5 27.6 44 44 A N E + H 0 180B 39 -2,-0.3 -24,-2.1 136,-0.2 2,-0.3 -0.761 46.8 168.7 -97.1 136.6 -3.4 5.4 24.8 45 45 A L E +GH 19 179B 1 134,-2.4 134,-2.1 -2,-0.4 2,-0.3 -0.996 9.5 178.6-147.9 147.9 -5.5 3.0 22.8 46 46 A V E +GH 18 178B 12 -28,-3.1 -28,-2.4 -2,-0.3 2,-0.3 -0.971 12.3 153.2-151.1 129.5 -5.0 0.9 19.6 47 47 A G E +GH 17 177B 0 130,-2.1 130,-2.6 -2,-0.3 2,-0.3 -0.997 5.7 128.6-153.0 160.4 -7.3 -1.5 17.7 48 48 A G E -GH 16 176B 0 -32,-2.0 -32,-2.1 -2,-0.3 2,-0.3 -0.963 39.7 -96.9 170.4 177.3 -8.0 -2.9 14.3 49 49 A K E +GH 15 175B 0 126,-0.7 126,-2.7 -2,-0.3 -34,-0.2 -0.808 52.2 101.7-118.4 157.2 -8.5 -5.9 12.1 50 50 A G E -GH 14 174B 1 -36,-2.6 -36,-2.4 -2,-0.3 2,-0.3 -0.781 59.3 -39.1 174.6-126.0 -6.3 -7.9 9.7 51 51 A W E - H 0 173B 34 122,-2.8 122,-2.8 -2,-0.2 3,-0.2 -0.862 34.0-127.8-135.5 158.5 -4.5 -11.2 9.7 52 52 A N S S+ 0 0 37 1,-0.4 120,-0.2 -2,-0.3 2,-0.1 -0.809 97.3 32.2-154.7 113.5 -2.4 -13.6 11.7 53 53 A P S S- 0 0 74 0, 0.0 -1,-0.4 0, 0.0 119,-0.2 0.411 90.0-146.9 -81.9 159.7 0.1 -14.5 10.7 54 54 A G - 0 0 3 117,-2.7 2,-0.3 25,-0.3 116,-0.2 -0.286 10.9-135.1 -72.1 170.3 1.2 -11.4 8.8 55 55 A L - 0 0 80 1,-0.1 3,-0.4 -3,-0.0 -4,-0.0 -0.919 15.1-130.0-124.0 152.1 3.2 -11.7 5.6 56 56 A N S S+ 0 0 57 -2,-0.3 2,-0.5 1,-0.3 100,-0.4 0.839 108.3 37.9 -66.3 -29.5 6.3 -9.7 4.5 57 57 A A S S+ 0 0 69 95,-0.2 2,-0.4 96,-0.1 -1,-0.3 -0.825 75.4 140.8-129.5 90.2 4.4 -9.1 1.3 58 58 A R - 0 0 26 -2,-0.5 94,-2.3 -3,-0.4 2,-0.9 -0.989 46.7-133.1-126.1 139.4 0.7 -8.6 1.5 59 59 A A E -D 151 0A 9 -2,-0.4 134,-2.3 92,-0.2 2,-0.5 -0.844 33.4-168.9 -91.6 104.0 -1.4 -6.1 -0.6 60 60 A I E -DE 150 192A 0 90,-3.2 90,-3.3 -2,-0.9 2,-0.4 -0.864 7.9-166.3-104.2 124.7 -3.5 -4.4 2.1 61 61 A H E +DE 149 191A 44 130,-3.3 130,-2.2 -2,-0.5 2,-0.3 -0.851 9.5 175.9-107.8 143.1 -6.4 -2.2 1.3 62 62 A F E +DE 148 190A 1 86,-2.2 86,-2.2 -2,-0.4 2,-0.3 -0.990 6.4 154.0-143.9 150.5 -8.2 0.1 3.7 63 63 A E E + E 0 189A 91 126,-1.4 126,-2.8 -2,-0.3 2,-0.3 -0.976 22.2 83.5-161.7 166.0 -10.9 2.7 3.5 64 64 A G E S- E 0 188A 41 -2,-0.3 2,-0.5 124,-0.2 124,-0.2 -0.961 74.4 -22.0 139.0-150.7 -13.6 4.3 5.7 65 65 A V E + E 0 187A 37 122,-2.6 122,-2.6 -2,-0.3 2,-0.4 -0.877 46.0 174.3-106.5 126.6 -14.0 7.2 8.1 66 66 A Y E + E 0 186A 22 -2,-0.5 120,-0.2 120,-0.2 -2,-0.1 -0.910 9.1 160.4-133.7 100.7 -11.1 8.5 10.1 67 67 A Q E + E 0 185A 122 118,-3.1 118,-1.3 -2,-0.4 2,-0.1 -0.600 9.3 169.8-128.1 72.1 -11.9 11.5 12.2 68 68 A P E - E 0 184A 39 0, 0.0 2,-0.3 0, 0.0 116,-0.3 -0.478 22.7-157.2 -76.5 155.4 -9.3 12.1 15.0 69 69 A N E S- E 0 183A 121 114,-3.0 114,-1.5 2,-0.1 2,-0.3 -0.797 70.7 -20.7-129.5 85.3 -9.3 15.3 17.0 70 70 A G S S+ 0 0 23 -2,-0.3 2,-0.3 112,-0.2 25,-0.2 -0.839 118.8 17.6 116.9-153.9 -5.7 15.5 18.3 71 71 A N S S+ 0 0 27 109,-0.4 109,-2.1 110,-0.3 2,-0.3 -0.400 81.9 120.7 -63.4 115.5 -3.0 12.8 18.7 72 72 A S E -I 179 0B 0 -2,-0.3 22,-2.9 107,-0.2 2,-0.3 -0.975 36.4-159.5-168.6 155.8 -3.8 9.8 16.6 73 73 A Y E -IJ 178 93B 16 105,-1.4 105,-2.7 -2,-0.3 2,-0.4 -0.986 13.3-147.4-145.6 159.6 -2.6 7.6 13.8 74 74 A L E +IJ 177 92B 1 18,-2.8 17,-2.2 -2,-0.3 18,-1.5 -0.999 40.4 151.9-123.1 119.3 -3.8 5.1 11.2 75 75 A A E -IJ 176 90B 1 101,-2.6 101,-3.2 -2,-0.4 2,-0.5 -0.999 55.3-109.4-148.3 152.5 -1.2 2.4 10.4 76 76 A V E -IJ 175 89B 1 13,-2.8 13,-2.8 -2,-0.3 2,-0.4 -0.778 55.0-178.4 -77.2 126.9 -0.5 -1.1 9.2 77 77 A Y E +IJ 174 88B 14 97,-3.0 97,-3.1 -2,-0.5 2,-0.3 -0.994 13.2 128.8-139.8 134.6 0.7 -2.5 12.5 78 78 A G E -IJ 173 87B 0 9,-1.8 9,-2.5 -2,-0.4 2,-0.3 -0.969 36.3-113.4-167.6-173.1 2.1 -5.8 13.6 79 79 A W E - J 0 86B 6 93,-1.6 92,-2.9 -2,-0.3 2,-0.3 -0.949 10.5-163.8-133.6 153.3 4.7 -7.9 15.4 80 80 A T E > -IJ 170 85B 3 5,-1.9 5,-2.2 -2,-0.3 2,-0.3 -0.873 14.5-144.5-120.6 162.5 7.3 -10.5 14.6 81 81 A R E 5 +I 169 0B 77 88,-2.2 88,-2.8 -2,-0.3 3,-0.2 -0.881 68.9 56.5-119.5 154.5 9.1 -12.8 17.0 82 82 A N T 5S+ 0 0 124 -2,-0.3 -1,-0.2 86,-0.2 2,-0.1 0.946 129.0 28.3 49.9 64.9 12.8 -14.0 16.9 83 83 A P T 5S- 0 0 44 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 0.454 107.6-133.9 -91.1 161.7 13.5 -11.3 16.8 84 84 A L T 5 + 0 0 30 -3,-0.2 51,-1.0 49,-0.2 2,-0.4 -0.594 39.4 164.7 -70.7 117.3 10.7 -9.5 18.7 85 85 A V E < -Jk 80 135B 3 -5,-2.2 -5,-1.9 -2,-0.5 2,-0.5 -0.999 30.7-156.4-140.3 137.6 9.8 -6.4 16.6 86 86 A E E -Jk 79 136B 16 49,-2.2 51,-1.8 -2,-0.4 2,-0.3 -0.968 25.4-169.2-110.0 123.4 6.8 -4.0 16.6 87 87 A Y E -Jk 78 137B 0 -9,-2.5 -9,-1.8 -2,-0.5 2,-0.4 -0.877 12.1-166.6-124.3 153.0 6.4 -2.3 13.2 88 88 A Y E -Jk 77 138B 13 49,-2.0 51,-1.8 -2,-0.3 2,-0.6 -0.987 14.2-171.8-138.7 125.4 4.3 0.5 11.8 89 89 A I E -Jk 76 139B 0 -13,-2.8 -13,-2.8 -2,-0.4 2,-0.6 -0.965 28.7-154.3-112.8 99.5 3.5 1.7 8.3 90 90 A V E +Jk 75 140B 0 49,-2.8 51,-2.9 -2,-0.6 -15,-0.3 -0.757 24.4 173.0 -90.0 114.7 1.8 5.0 9.1 91 91 A E E - 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