==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-NOV-05 2EXJ . COMPND 2 MOLECULE: BETA-D-XYLOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR C.BRUX,K.NIEFIND,D.SHALLOM-SHEZIFI,Y.SHOHAM,D.SCHOMBURG . 2132 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1304 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 826 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 28 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 . 2 0.1 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 . 210 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 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 . 16 42 11 11 15 11 21 16 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 0 10 5 5 0 2 5 1 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 K 0 0 112 0, 0.0 2,-0.4 0, 0.0 312,-0.2 0.000 360.0 360.0 360.0 -28.6 -57.7 71.9 92.8 2 4 A I E -A 312 0A 2 310,-1.7 310,-1.9 288,-0.1 2,-0.6 -0.921 360.0-155.2-112.8 130.3 -54.6 69.8 93.8 3 5 A K E -A 311 0A 141 -2,-0.4 308,-0.2 308,-0.2 307,-0.1 -0.911 34.2 -98.7-106.3 115.0 -54.7 65.9 94.4 4 6 A N S S+ 0 0 7 306,-3.0 285,-0.1 -2,-0.6 2,-0.1 -0.255 96.7 51.1 -67.9 156.3 -52.0 64.5 96.7 5 7 A P - 0 0 10 0, 0.0 284,-0.3 0, 0.0 3,-0.2 0.775 60.5-176.3 -68.3 155.7 -49.5 63.1 96.4 6 8 A I S S+ 0 0 26 282,-1.8 2,-0.5 1,-0.3 41,-0.2 0.820 80.9 40.0 -82.0 -37.9 -48.0 65.7 94.0 7 9 A L B S-B 288 0B 6 281,-1.6 281,-1.7 4,-0.1 -1,-0.3 -0.968 87.1-154.9-112.2 116.1 -44.8 63.7 93.4 8 10 A T + 0 0 34 -2,-0.5 377,-0.1 279,-0.2 374,-0.1 -0.551 51.4 15.3 -98.6 156.5 -45.5 59.9 93.2 9 11 A G S S+ 0 0 0 -2,-0.2 2,-0.3 375,-0.1 279,-0.2 -0.164 120.7 1.3 71.0-175.6 -43.2 57.0 93.9 10 12 A F S S+ 0 0 1 373,-0.5 277,-0.2 497,-0.3 275,-0.1 -0.161 82.1 130.1 -46.8 100.8 -40.0 57.4 95.9 11 13 A H + 0 0 1 275,-3.3 -4,-0.1 -2,-0.3 -1,-0.1 -0.460 28.5 161.9-157.7 67.4 -39.9 61.2 96.8 12 14 A P + 0 0 0 0, 0.0 16,-1.4 0, 0.0 276,-0.1 -0.328 48.9 27.9 -89.7 172.6 -39.3 61.7 100.6 13 15 A D S S- 0 0 11 14,-0.2 235,-0.1 1,-0.2 234,-0.1 0.874 76.2-155.6 48.2 55.9 -38.1 64.7 102.7 14 16 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.338 10.8-165.9 -68.8 138.9 -39.4 67.5 100.4 15 17 A S E -E 26 0C 1 11,-1.1 11,-2.2 247,-0.1 2,-0.2 -0.914 10.1-156.3-127.4 99.9 -37.6 70.8 100.8 16 18 A I E -E 25 0C 14 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.499 10.8-174.5 -82.9 145.7 -39.6 73.6 99.1 17 19 A C E -E 24 0C 10 7,-2.6 7,-3.1 -2,-0.2 2,-0.5 -0.989 12.2-150.0-146.6 127.8 -37.9 76.8 97.9 18 20 A R E +E 23 0C 112 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.878 14.8 175.3-100.2 127.0 -39.4 80.0 96.5 19 21 A V E > S-E 22 0C 32 3,-3.2 3,-2.0 -2,-0.5 2,-0.4 -0.891 70.2 -59.6-128.1 98.7 -37.6 82.2 93.9 20 22 A G T 3 S- 0 0 45 -2,-0.4 234,-0.1 1,-0.3 0, 0.0 -0.516 119.9 -19.6 70.3-119.6 -40.0 85.0 92.9 21 23 A D T 3 S+ 0 0 73 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 -0.012 120.1 102.9-103.8 24.0 -43.0 83.2 91.4 22 24 A D E < -E 19 0C 35 -3,-2.0 -3,-3.2 21,-0.0 2,-0.4 -0.927 56.0-157.5-111.1 134.5 -40.9 80.1 90.8 23 25 A Y E -EF 18 41C 4 18,-2.5 18,-2.4 -2,-0.4 2,-0.4 -0.924 8.5-174.4-118.8 130.2 -41.2 77.0 93.1 24 26 A Y E -EF 17 40C 23 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.4 -0.959 8.0-165.9-121.8 140.3 -38.6 74.2 93.7 25 27 A I E -EF 16 39C 0 14,-2.3 14,-2.8 -2,-0.4 2,-0.5 -0.988 5.9-164.0-121.9 121.9 -38.8 71.0 95.7 26 28 A A E -EF 15 38C 0 -11,-2.2 -11,-1.1 -2,-0.4 2,-0.3 -0.896 12.1-172.5 -96.8 125.6 -35.7 69.0 96.5 27 29 A V E - F 0 37C 0 10,-2.1 10,-1.4 -2,-0.5 -14,-0.2 -0.807 26.1-102.0-115.9 159.1 -36.1 65.4 97.6 28 30 A S - 0 0 0 -16,-1.4 44,-0.2 -2,-0.3 45,-0.1 -0.412 24.5-174.6 -77.5 154.1 -33.7 62.7 99.0 29 31 A T > - 0 0 0 42,-0.9 3,-2.0 43,-0.2 43,-0.2 0.423 13.5-167.3-133.2 -6.9 -32.4 59.9 96.8 30 32 A F B 3 S-H 71 0D 3 41,-2.6 41,-2.0 1,-0.3 -1,-0.2 -0.288 72.8 -7.1 56.0-117.9 -30.4 57.7 99.2 31 33 A E T 3 S+ 0 0 0 39,-0.2 314,-3.3 -2,-0.1 -1,-0.3 0.550 108.7 105.7 -85.3 -10.5 -28.2 55.1 97.3 32 34 A W E < S-M 344 0E 0 -3,-2.0 312,-0.2 312,-0.2 39,-0.2 -0.526 74.4-100.1 -80.9 137.2 -29.6 56.0 93.9 33 35 A F E S+M 343 0E 9 310,-3.8 310,-2.4 -2,-0.2 313,-0.1 -0.879 92.7 38.6-115.2 140.6 -27.4 58.0 91.6 34 36 A P S S- 0 0 14 0, 0.0 2,-0.2 0, 0.0 21,-0.2 0.502 92.8-115.5 -78.4 165.8 -27.2 61.0 90.8 35 37 A G B S+N 54 0F 0 19,-2.2 19,-2.4 17,-0.1 -2,-0.1 -0.480 70.5 6.8 -79.0 133.1 -27.9 62.7 94.1 36 38 A V - 0 0 0 -2,-0.2 2,-0.5 17,-0.2 18,-0.3 0.656 61.7-135.1 72.2 132.6 -31.0 64.8 94.8 37 39 A R E -F 27 0C 1 -10,-1.4 -10,-2.1 15,-0.2 2,-0.5 -0.980 16.4-160.1-115.9 128.5 -33.9 65.4 92.5 38 40 A I E -FG 26 51C 0 13,-2.5 12,-2.5 -2,-0.5 13,-1.2 -0.932 3.3-165.4-115.0 123.5 -35.3 68.9 92.0 39 41 A Y E -FG 25 49C 14 -14,-2.8 -14,-2.3 -2,-0.5 2,-0.4 -0.860 6.2-153.2-106.0 142.2 -38.8 69.6 90.7 40 42 A H E +FG 24 48C 26 8,-3.1 8,-2.1 -2,-0.4 2,-0.3 -0.910 15.6 176.5-114.4 141.1 -39.9 73.0 89.5 41 43 A S E -F 23 0C 0 -18,-2.4 -18,-2.5 -2,-0.4 6,-0.1 -0.995 28.9-166.3-142.2 150.1 -43.5 74.4 89.5 42 44 A K S S+ 0 0 60 4,-0.4 -1,-0.1 278,-0.4 279,-0.1 0.736 99.8 20.8 -96.1 -30.9 -45.3 77.5 88.6 43 45 A D S S- 0 0 7 3,-0.4 274,-0.1 277,-0.3 4,-0.1 0.467 97.8-119.7-118.9 -11.7 -48.7 76.6 90.3 44 46 A L S S+ 0 0 0 2,-0.4 3,-0.1 270,-0.1 275,-0.0 0.391 102.1 78.1 81.7 -1.2 -47.7 73.9 92.9 45 47 A K S S+ 0 0 62 1,-0.2 2,-0.5 275,-0.1 -42,-0.1 0.843 88.4 50.4 -93.1 -54.3 -50.0 71.5 91.2 46 48 A N S S- 0 0 33 274,-0.3 -4,-0.4 -44,-0.0 -2,-0.4 -0.783 72.9-165.8 -99.6 123.9 -47.9 70.5 88.2 47 49 A W - 0 0 32 -2,-0.5 2,-0.4 -41,-0.2 -6,-0.2 -0.875 7.5-171.8-120.0 140.4 -44.3 69.4 88.8 48 50 A R E -G 40 0C 63 -8,-2.1 -8,-3.1 -2,-0.4 2,-0.4 -0.985 27.1-119.5-131.9 138.1 -41.4 69.0 86.4 49 51 A L E +G 39 0C 3 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.638 43.2 153.7 -78.4 126.7 -37.9 67.5 86.9 50 52 A V E + 0 0 40 -12,-2.5 2,-0.3 -2,-0.4 -11,-0.2 0.499 54.4 35.4-130.9 -14.2 -35.2 70.2 86.2 51 53 A A E +G 38 0C 6 -13,-1.2 -13,-2.5 60,-0.0 -1,-0.3 -1.000 32.5 177.5-148.7 149.1 -32.1 69.4 88.2 52 54 A R + 0 0 82 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.1 -0.657 27.1 178.1-142.0 72.9 -30.1 66.4 89.5 53 55 A P + 0 0 3 0, 0.0 2,-1.3 0, 0.0 61,-0.3 0.688 58.1 67.8 -65.2 -32.3 -27.3 68.4 91.1 54 56 A L B +N 35 0F 0 -19,-2.4 -19,-2.2 -18,-0.3 -18,-0.0 -0.668 58.4 129.5 -95.9 83.9 -25.0 65.8 92.7 55 57 A N + 0 0 86 -2,-1.3 2,-0.3 -21,-0.2 -1,-0.2 0.343 46.7 79.9-120.6 4.9 -23.5 64.2 89.6 56 58 A R S >> S- 0 0 77 -3,-0.2 4,-2.0 1,-0.1 3,-1.2 -0.899 74.6-130.7-113.8 144.2 -19.8 64.3 90.1 57 59 A L T 34 S+ 0 0 92 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.820 110.0 64.6 -55.4 -31.0 -17.7 61.9 92.2 58 60 A S T 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.833 112.3 34.5 -64.6 -29.2 -16.1 65.1 93.8 59 61 A Q T <4 S+ 0 0 7 -3,-1.2 2,-0.3 1,-0.3 -2,-0.2 0.766 133.1 14.8 -93.7 -35.2 -19.6 65.9 95.2 60 62 A L < + 0 0 3 -4,-2.0 2,-0.6 57,-0.0 -1,-0.3 -0.840 56.5 174.9-153.5 103.0 -21.0 62.4 96.0 61 63 A N + 0 0 80 -2,-0.3 285,-0.1 -3,-0.2 9,-0.1 -0.850 11.3 162.7-115.5 97.8 -19.0 59.2 96.2 62 64 A M > + 0 0 0 283,-0.8 3,-2.4 -2,-0.6 284,-0.1 0.245 13.6 144.0-104.6 10.6 -21.3 56.4 97.3 63 65 A I T 3 S+ 0 0 38 1,-0.3 311,-0.2 282,-0.1 312,-0.1 -0.271 79.9 8.0 -58.2 131.2 -19.6 53.1 96.4 64 66 A G T 3 S+ 0 0 0 309,-2.5 -1,-0.3 1,-0.2 310,-0.1 0.344 90.5 152.4 83.6 -4.5 -20.2 50.5 99.0 65 67 A N < - 0 0 0 -3,-2.4 -1,-0.2 308,-0.2 26,-0.1 -0.243 50.0-105.0 -63.0 147.1 -22.8 52.6 100.8 66 68 A P > - 0 0 12 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.279 44.2 -83.1 -66.5 156.0 -25.4 50.6 102.7 67 69 A D T 3 S+ 0 0 24 1,-0.3 3,-0.1 -37,-0.1 345,-0.1 -0.420 122.5 15.9 -52.4 130.2 -28.9 50.3 101.4 68 70 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -39,-0.1 -38,-0.1 0.577 106.3 110.5 69.9 13.1 -30.8 53.4 102.5 69 71 A G < + 0 0 0 -3,-2.4 2,-0.2 22,-0.1 -1,-0.2 0.008 50.1 57.7 -83.6-158.1 -27.5 55.1 103.2 70 72 A G E S+ I 0 90D 0 20,-2.4 20,-3.1 -39,-0.1 2,-1.1 -0.507 99.5 21.6 76.3-139.5 -26.3 58.0 101.0 71 73 A V E +HI 30 89D 0 -41,-2.0 -41,-2.6 -2,-0.2 -42,-0.9 -0.619 68.1 175.4 -79.2 96.4 -28.3 61.1 100.5 72 74 A W - 0 0 18 -2,-1.1 16,-0.3 16,-0.8 -43,-0.2 0.029 57.5 -19.8 -76.9-169.7 -30.8 61.6 103.3 73 75 A A S S- 0 0 9 -45,-0.1 2,-0.2 14,-0.1 -1,-0.2 -0.110 72.6-156.7 -36.2 118.3 -33.1 64.7 103.7 74 76 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.695 6.4-136.0 -96.4 158.5 -31.5 67.6 101.6 75 77 A H E -J 86 0D 22 11,-2.8 11,-2.4 -2,-0.2 2,-0.5 -0.941 15.2-168.6-122.2 115.1 -32.1 71.3 102.1 76 78 A L E +J 85 0D 1 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.864 19.1 154.9 -96.4 122.7 -32.7 73.7 99.2 77 79 A S E -J 84 0D 12 7,-2.6 7,-3.6 -2,-0.5 2,-0.4 -0.934 30.3-139.4-141.2 167.8 -32.6 77.5 99.7 78 80 A Y E +J 83 0D 89 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.994 33.4 141.1-131.6 127.5 -32.0 80.7 97.8 79 81 A S E > +J 82 0D 19 3,-2.9 3,-1.1 -2,-0.4 -2,-0.1 -0.925 58.1 14.2-166.2 144.5 -30.0 83.7 99.0 80 82 A D T 3 S- 0 0 110 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.912 130.3 -51.5 58.3 45.4 -27.6 86.4 97.8 81 83 A G T 3 S+ 0 0 43 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.542 121.6 79.9 70.1 12.1 -28.2 85.6 94.2 82 84 A K E < S-J 79 0D 65 -3,-1.1 -3,-2.9 24,-0.0 2,-0.3 -0.985 75.2-108.8-147.6 159.4 -27.6 81.8 94.5 83 85 A F E -JK 78 107D 9 24,-3.0 24,-1.3 -2,-0.3 2,-0.5 -0.620 25.6-154.6 -84.0 137.3 -29.1 78.4 95.5 84 86 A W E -JK 77 106D 7 -7,-3.6 -7,-2.6 -2,-0.3 2,-0.5 -0.981 10.3-172.5-114.4 121.4 -27.7 76.7 98.6 85 87 A L E -JK 76 105D 0 20,-3.1 20,-2.7 -2,-0.5 2,-0.4 -0.971 1.3-169.8-118.4 119.7 -28.1 72.9 98.7 86 88 A I E +JK 75 104D 0 -11,-2.4 -11,-2.8 -2,-0.5 2,-0.3 -0.866 14.9 164.9-108.4 141.0 -27.2 71.1 102.0 87 89 A Y E - 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