==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-95 1REE . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR J.ROUVINEN,R.HAVUKAINEN,A.TORRONEN . 380 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 49.5 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 . 5 1.3 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 . 3 0.8 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 . 35 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 . 0 2 0 2 4 4 2 6 3 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 2 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 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 0 100 0, 0.0 28,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.7 48.8 15.2 15.3 2 2 A T E +A 28 0A 83 26,-0.3 2,-0.3 24,-0.0 26,-0.2 -0.628 360.0 177.0 -75.6 125.4 48.9 18.4 17.4 3 3 A I E -A 27 0A 42 24,-1.7 24,-0.5 -2,-0.4 3,-0.1 -0.839 31.5-114.3-130.8 165.0 50.3 21.2 15.3 4 4 A Q - 0 0 41 294,-0.4 294,-0.1 -2,-0.3 13,-0.1 -0.474 67.3 -56.4 -87.3 167.7 51.1 24.9 15.4 5 5 A P S S+ 0 0 38 0, 0.0 295,-0.3 0, 0.0 2,-0.3 -0.126 87.9 104.2 -49.1 135.1 49.2 27.2 13.0 6 6 A G E -F 17 0B 14 11,-1.6 11,-2.3 -3,-0.1 2,-0.3 -0.971 54.5-112.8 172.8-177.8 49.4 26.3 9.4 7 7 A T E +F 16 0B 66 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.895 45.7 108.3-135.9 167.3 47.6 24.8 6.4 8 8 A G E -F 15 0B 17 7,-1.5 7,-2.5 -2,-0.3 2,-0.4 -0.982 62.9 -59.3 158.1-162.3 47.9 21.6 4.3 9 9 A Y E -F 14 0B 145 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.956 40.2-176.0-119.9 139.2 46.3 18.3 3.7 10 10 A N E > -F 13 0B 22 3,-3.3 3,-1.9 -2,-0.4 20,-0.1 -0.966 69.3 -20.8-140.4 117.4 45.8 15.6 6.3 11 11 A N T 3 S- 0 0 99 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.775 131.7 -43.7 56.7 30.7 44.4 12.1 5.7 12 12 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.236 121.0 97.5 102.0 -9.7 42.7 13.3 2.5 13 13 A Y E < S-F 10 0B 50 -3,-1.9 -3,-3.3 19,-0.3 -1,-0.2 -0.878 70.6-121.8-119.9 144.0 41.4 16.6 3.7 14 14 A F E -FG 9 50B 10 36,-1.9 36,-3.0 -2,-0.4 2,-0.3 -0.476 34.8-170.6 -72.7 146.0 42.6 20.2 3.6 15 15 A Y E -FG 8 49B 25 -7,-2.5 -7,-1.5 34,-0.2 2,-0.3 -0.957 13.1-169.6-136.7 158.7 43.0 21.8 7.0 16 16 A S E +FG 7 48B 14 32,-1.9 32,-1.9 -2,-0.3 2,-0.4 -0.964 5.2 179.0-150.6 129.0 43.6 25.3 8.3 17 17 A Y E +FG 6 47B 9 -11,-2.3 -11,-1.6 -2,-0.3 2,-0.3 -0.986 9.3 163.9-136.9 127.3 44.5 26.3 11.8 18 18 A W E + G 0 46B 122 28,-2.7 28,-2.6 -2,-0.4 2,-0.3 -0.978 7.5 175.3-142.3 148.5 45.2 29.9 12.9 19 19 A N E - G 0 45B 33 -2,-0.3 26,-0.2 26,-0.2 -2,-0.0 -0.970 40.1-116.3-148.9 158.5 45.4 31.8 16.1 20 20 A D - 0 0 68 24,-2.0 25,-0.1 -2,-0.3 -2,-0.0 0.299 57.7-105.0 -78.9 7.3 46.3 35.3 17.2 21 21 A G S S+ 0 0 63 23,-0.2 -1,-0.1 1,-0.0 24,-0.1 0.510 88.0 122.2 81.7 5.8 49.3 34.1 19.2 22 22 A H - 0 0 103 22,-0.2 2,-0.1 1,-0.1 23,-0.1 0.845 62.8-138.2 -68.5 -39.4 47.5 34.6 22.5 23 23 A G + 0 0 38 1,-0.0 20,-0.2 2,-0.0 -1,-0.1 -0.175 68.4 99.8 99.5 164.4 47.9 31.0 23.7 24 24 A G + 0 0 41 1,-0.3 16,-2.7 18,-0.2 2,-0.4 0.520 65.5 109.5 95.1 8.1 45.5 28.6 25.5 25 25 A V E - B 0 39A 20 14,-0.2 2,-0.4 16,-0.1 -1,-0.3 -0.948 43.5-171.7-121.7 140.4 44.6 26.7 22.3 26 26 A T E - B 0 38A 68 12,-2.1 12,-2.1 -2,-0.4 2,-0.5 -0.950 5.7-171.3-133.9 110.1 45.5 23.1 21.2 27 27 A Y E -AB 3 37A 1 -24,-0.5 -24,-1.7 -2,-0.4 2,-0.4 -0.885 5.0-176.6-103.9 133.4 44.6 22.0 17.7 28 28 A T E -AB 2 36A 37 8,-2.6 8,-2.5 -2,-0.5 2,-0.4 -0.993 21.0-138.9-133.6 127.8 45.1 18.3 16.7 29 29 A N E - B 0 35A 7 -28,-2.6 6,-0.3 -2,-0.4 3,-0.1 -0.735 31.1-169.6 -83.9 129.4 44.5 16.7 13.3 30 30 A G - 0 0 10 4,-2.9 4,-0.1 -2,-0.4 -1,-0.0 -0.381 32.7 -50.8-109.3-171.2 42.8 13.3 13.7 31 31 A P S > S- 0 0 95 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.302 102.6 -27.2 -62.1 142.3 42.0 10.2 11.5 32 32 A G T 3 S- 0 0 34 1,-0.3 -19,-0.3 -3,-0.1 -2,-0.1 -0.263 134.4 -11.5 55.6-126.2 40.2 10.9 8.2 33 33 A G T 3 S+ 0 0 3 156,-0.3 156,-2.4 -21,-0.1 2,-0.3 0.154 107.3 118.0 -93.8 22.5 38.2 14.1 8.3 34 34 A Q E < + C 0 188A 58 -3,-2.0 -4,-2.9 154,-0.3 2,-0.3 -0.645 31.8 167.8 -96.4 144.5 38.5 14.5 12.1 35 35 A F E -BC 29 187A 0 152,-2.1 152,-2.1 -2,-0.3 2,-0.4 -0.968 16.6-152.6-146.2 150.2 40.1 17.3 14.1 36 36 A S E -BC 28 186A 25 -8,-2.5 -8,-2.6 -2,-0.3 2,-0.4 -0.985 5.7-168.1-129.0 142.1 39.9 18.2 17.8 37 37 A V E -BC 27 185A 1 148,-2.3 148,-1.9 -2,-0.4 2,-0.4 -0.999 4.4-178.7-132.6 127.5 40.3 21.6 19.5 38 38 A N E +BC 26 184A 89 -12,-2.1 -12,-2.1 -2,-0.4 2,-0.3 -0.999 14.2 173.3-125.7 125.5 40.8 22.1 23.2 39 39 A W E -BC 25 183A 10 144,-2.7 144,-2.6 -2,-0.4 2,-0.3 -0.973 18.4-174.5-138.4 152.7 41.0 25.6 24.5 40 40 A S S S- 0 0 73 -16,-2.7 142,-0.2 -2,-0.3 140,-0.0 -0.924 78.3 -20.1-148.1 117.3 41.2 27.4 27.9 41 41 A N S S+ 0 0 118 -2,-0.3 141,-0.2 140,-0.1 -16,-0.1 0.913 94.9 170.1 48.2 50.8 41.2 31.2 28.3 42 42 A S - 0 0 1 139,-2.5 -18,-0.2 -18,-0.2 2,-0.1 0.033 34.6-127.4 -79.1-175.5 42.3 31.5 24.7 43 43 A G - 0 0 1 -20,-0.2 137,-1.9 137,-0.1 138,-0.5 0.014 61.9 -47.1-106.4-139.1 42.6 34.4 22.4 44 44 A N E S+ H 0 179B 33 135,-0.2 -24,-2.0 136,-0.1 2,-0.3 -0.827 70.6 159.0-100.8 133.3 41.0 34.4 18.9 45 45 A F E -GH 19 178B 0 133,-2.0 133,-1.8 -2,-0.4 2,-0.3 -0.985 26.6-160.1-151.2 160.5 41.5 31.3 16.8 46 46 A V E +GH 18 177B 15 -28,-2.6 -28,-2.7 -2,-0.3 2,-0.3 -0.969 18.9 164.3-145.3 125.9 40.0 29.3 13.8 47 47 A G E +GH 17 176B 0 129,-1.9 129,-2.7 -2,-0.3 2,-0.3 -0.998 12.3 120.8-145.6 141.4 40.6 25.7 13.0 48 48 A G E -GH 16 175B 0 -32,-1.9 -32,-1.9 -2,-0.3 2,-0.3 -0.993 41.9-108.3-179.2 177.2 39.0 23.1 10.8 49 49 A K E +GH 15 174B 0 125,-1.2 125,-2.3 -2,-0.3 -34,-0.2 -0.910 49.7 101.7-126.5 153.3 39.0 20.6 8.0 50 50 A G E -GH 14 173B 1 -36,-3.0 -36,-1.9 -2,-0.3 2,-0.3 -0.762 61.0 -36.5 178.1-128.6 37.5 20.6 4.5 51 51 A W E - H 0 172B 49 121,-2.8 121,-2.4 -2,-0.2 3,-0.3 -0.910 34.5-132.9-133.0 155.6 38.5 21.1 0.9 52 52 A Q S S+ 0 0 54 1,-0.5 119,-0.2 -2,-0.3 2,-0.1 -0.832 102.9 21.0-149.6 102.7 40.8 23.3 -1.1 53 53 A P S S- 0 0 89 0, 0.0 -1,-0.5 0, 0.0 118,-0.2 0.560 91.2-161.8 -84.7 163.9 39.2 24.4 -3.4 54 54 A G - 0 0 8 116,-2.6 2,-0.2 -3,-0.3 115,-0.2 -0.335 11.8-127.6 -93.3-178.2 35.6 24.0 -2.3 55 55 A T - 0 0 49 -2,-0.1 3,-0.3 113,-0.1 115,-0.1 -0.766 15.1-120.5-127.3 174.3 32.6 24.1 -4.6 56 56 A K S S+ 0 0 103 -2,-0.2 100,-0.2 1,-0.2 110,-0.0 0.451 111.3 38.9 -94.1 -1.8 29.2 25.9 -4.9 57 57 A N S S+ 0 0 116 95,-0.1 -1,-0.2 96,-0.1 2,-0.1 0.155 79.4 136.8-133.3 19.3 27.2 22.7 -4.6 58 58 A K - 0 0 42 -3,-0.3 94,-1.7 93,-0.1 2,-0.6 -0.420 44.3-146.2 -71.6 139.8 29.0 20.6 -2.0 59 59 A V E -D 151 0A 68 92,-0.2 2,-0.5 93,-0.1 92,-0.2 -0.962 20.6-156.0-106.1 114.2 26.9 18.8 0.6 60 60 A I E -D 150 0A 0 90,-3.0 90,-3.2 -2,-0.6 2,-0.4 -0.840 7.8-163.5-100.9 128.0 29.0 18.8 3.8 61 61 A N E +D 149 0A 66 129,-2.2 129,-1.8 -2,-0.5 2,-0.3 -0.842 14.6 168.4-107.7 142.4 28.5 16.2 6.5 62 62 A F E +DE 148 189A 6 86,-2.4 86,-2.7 -2,-0.4 2,-0.3 -0.989 5.4 165.5-151.0 151.7 29.8 16.7 10.0 63 63 A S E + E 0 188A 56 125,-1.3 125,-2.9 -2,-0.3 2,-0.3 -0.972 25.9 87.3-160.4 161.3 29.4 15.0 13.4 64 64 A G E S- E 0 187A 44 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.963 72.2 -44.2 142.9-157.8 31.1 14.9 16.7 65 65 A S E - E 0 186A 54 121,-2.1 121,-2.7 -2,-0.3 2,-0.4 -0.931 38.0-176.2-117.8 137.1 31.0 16.9 20.0 66 66 A Y E + E 0 185A 11 -2,-0.4 119,-0.2 119,-0.2 8,-0.1 -0.944 9.4 167.6-133.4 107.3 31.0 20.6 20.4 67 67 A N E - E 0 184A 96 117,-3.0 117,-1.4 -2,-0.4 2,-0.2 -0.714 11.5-176.0-124.5 80.6 31.1 21.9 23.9 68 68 A P E - E 0 183A 40 0, 0.0 2,-0.4 0, 0.0 115,-0.2 -0.495 15.4-161.4 -77.8 145.1 31.8 25.7 24.0 69 69 A N E S- E 0 182A 120 113,-2.8 113,-1.5 -2,-0.2 2,-0.3 -0.718 71.1 -27.4-124.3 73.0 32.3 27.5 27.3 70 70 A G S S+ 0 0 19 -2,-0.4 25,-1.5 111,-0.2 2,-0.6 -0.920 119.2 14.0 124.6-145.9 31.7 31.0 26.2 71 71 A N S S+ 0 0 29 108,-0.4 108,-2.3 -2,-0.3 2,-0.3 -0.586 80.9 120.6 -75.1 113.1 32.2 32.9 22.9 72 72 A S E -I 178 0B 0 -2,-0.6 22,-2.7 106,-0.2 2,-0.3 -0.970 40.2-150.1-166.7 154.6 32.7 30.3 20.1 73 73 A Y E -IJ 177 93B 21 104,-2.3 104,-2.5 -2,-0.3 2,-0.5 -0.976 5.5-155.3-134.1 153.2 31.1 29.3 16.7 74 74 A L E +IJ 176 92B 1 18,-2.9 17,-2.6 -2,-0.3 18,-1.6 -0.994 41.9 134.9-125.4 117.9 30.8 26.0 14.8 75 75 A S E -IJ 175 90B 3 100,-2.4 100,-3.2 -2,-0.5 2,-0.6 -0.982 63.0 -94.3-160.8 167.3 30.2 26.6 11.1 76 76 A V E -IJ 174 89B 1 13,-2.2 13,-2.1 -2,-0.3 2,-0.4 -0.834 55.3-175.1 -84.6 120.3 30.9 26.0 7.4 77 77 A Y E +IJ 173 88B 17 96,-2.8 96,-2.8 -2,-0.6 2,-0.3 -0.967 13.7 126.5-127.2 139.7 33.5 28.7 6.7 78 78 A G E -IJ 172 87B 0 9,-1.8 9,-2.7 -2,-0.4 2,-0.3 -0.967 37.8-109.3-169.2-174.5 35.3 29.8 3.5 79 79 A W E - J 0 86B 9 92,-1.6 91,-2.6 -2,-0.3 2,-0.3 -0.919 11.6-160.9-134.8 159.5 36.4 32.4 1.0 80 80 A S E > -IJ 169 85B 0 5,-2.1 5,-1.7 -2,-0.3 2,-0.4 -0.931 11.6-147.2-135.4 152.4 35.7 33.4 -2.6 81 81 A R E 5S+I 168 0B 98 87,-2.2 87,-3.0 -2,-0.3 3,-0.2 -0.944 71.0 44.8-122.5 146.7 37.8 35.5 -5.0 82 82 A N T 5S+ 0 0 143 -2,-0.4 -1,-0.2 85,-0.2 2,-0.1 0.934 129.7 33.4 48.9 68.5 36.5 37.9 -7.6 83 83 A P T 5S- 0 0 48 0, 0.0 2,-0.7 0, 0.0 84,-0.6 0.399 106.7-137.2 -78.9 156.4 34.5 39.0 -5.7 84 84 A L T 5 + 0 0 27 -3,-0.2 51,-0.9 49,-0.2 2,-0.4 -0.715 38.4 162.5 -80.4 114.1 36.5 38.7 -2.4 85 85 A I E < -Jk 80 135B 6 -5,-1.7 -5,-2.1 -2,-0.7 2,-0.5 -0.997 31.2-156.9-138.8 139.7 34.0 37.3 0.1 86 86 A E E -Jk 79 136B 10 49,-1.8 51,-2.2 -2,-0.4 2,-0.3 -0.968 28.2-170.9-111.6 129.1 34.5 35.6 3.5 87 87 A Y E -Jk 78 137B 1 -9,-2.7 -9,-1.8 -2,-0.5 2,-0.3 -0.914 18.6-167.7-131.6 157.3 31.4 33.5 4.5 88 88 A Y E -Jk 77 138B 12 49,-2.1 51,-1.5 -2,-0.3 2,-0.6 -1.000 12.5-169.3-139.6 136.8 29.9 31.6 7.4 89 89 A I E -Jk 76 139B 0 -13,-2.1 -13,-2.2 -2,-0.3 2,-0.5 -0.904 30.4-153.5-123.8 88.3 27.0 29.1 7.6 90 90 A V E +Jk 75 140B 0 49,-2.6 51,-2.7 -2,-0.6 -15,-0.3 -0.619 25.6 172.0 -74.5 122.0 26.8 28.9 11.4 91 91 A E E - 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