==== 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 11-JAN-05 1YI7 . COMPND 2 MOLECULE: BETA-XYLOSIDASE, FAMILY 43 GLYCOSYL HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR A.TEPLYAKOV,E.FEDOROV,G.L.GILLILAND,S.C.ALMO,S.K.BURLEY,NEW . 2136 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1341 62.8 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 . 832 39.0 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 0.7 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 . 3 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 . 253 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 1.1 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 . 13 37 12 12 16 15 18 18 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 9 7 4 0 4 0 4 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 2 A S 0 0 110 0, 0.0 314,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.0 91.3 71.0 -44.9 2 3 A L E -A 314 0A 83 312,-0.2 2,-0.6 310,-0.0 312,-0.2 -0.955 360.0-137.4-121.0 134.0 88.8 70.8 -42.1 3 4 A I E -A 313 0A 0 310,-3.4 310,-2.1 -2,-0.4 2,-0.9 -0.773 26.9-150.9 -73.0 120.4 85.1 70.3 -41.9 4 5 A K E -A 312 0A 132 -2,-0.6 308,-0.2 42,-0.3 307,-0.1 -0.814 30.0-105.2-104.8 96.0 84.2 72.9 -39.2 5 6 A N S S+ 0 0 6 306,-2.5 285,-0.1 -2,-0.9 2,-0.1 -0.344 99.1 43.5 -70.1 149.3 81.0 71.6 -37.4 6 7 A P - 0 0 0 0, 0.0 284,-0.3 0, 0.0 3,-0.1 0.541 65.8-178.5 -75.4 145.9 78.3 72.3 -37.4 7 8 A I S S+ 0 0 22 282,-1.4 2,-0.6 1,-0.2 41,-0.2 0.821 80.8 42.6 -77.4 -33.4 78.3 72.5 -41.2 8 9 A L B S-B 289 0B 4 281,-1.9 281,-2.4 4,-0.1 -1,-0.2 -0.968 88.8-158.7-114.5 112.4 74.6 73.5 -41.3 9 10 A R + 0 0 96 -2,-0.6 377,-0.1 279,-0.2 374,-0.1 -0.541 48.3 14.6 -99.6 158.5 74.0 76.0 -38.5 10 11 A G S S- 0 0 0 -2,-0.2 2,-0.3 375,-0.1 279,-0.2 -0.168 121.7 -0.4 65.0-171.5 70.8 77.0 -36.8 11 12 A F S S+ 0 0 1 373,-0.4 277,-0.2 497,-0.3 275,-0.1 -0.236 84.5 125.0 -57.1 105.8 67.7 75.0 -37.2 12 13 A N + 0 0 0 275,-3.3 -4,-0.1 -2,-0.3 -1,-0.1 -0.434 33.6 167.2-162.2 65.6 68.7 72.1 -39.5 13 14 A P + 0 0 0 0, 0.0 16,-1.4 0, 0.0 276,-0.1 -0.252 47.4 28.4 -85.2 174.4 68.0 68.7 -37.9 14 15 A D S S- 0 0 8 14,-0.2 2,-0.2 1,-0.2 235,-0.1 0.870 76.3-150.8 50.0 59.4 67.9 65.1 -39.1 15 16 A P - 0 0 1 0, 0.0 2,-0.6 0, 0.0 13,-0.2 -0.413 13.8-166.5 -71.5 131.9 70.4 65.3 -41.9 16 17 A S E -F 27 0C 4 11,-2.4 11,-2.6 -2,-0.2 2,-0.3 -0.953 14.0-160.1-114.0 106.9 69.9 62.9 -44.8 17 18 A I E +F 26 0C 13 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.675 12.2 178.7 -92.5 146.3 73.1 63.0 -46.9 18 19 A C E -F 25 0C 9 7,-2.3 7,-2.1 -2,-0.3 2,-0.4 -0.998 18.0-146.1-150.2 134.0 73.1 61.9 -50.5 19 20 A R E -F 24 0C 101 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.884 11.6-179.3-106.1 136.9 75.7 61.7 -53.2 20 21 A A E > S-F 23 0C 7 3,-2.9 3,-2.5 -2,-0.4 2,-0.5 -0.896 70.9 -60.2-128.4 102.9 75.0 62.2 -57.0 21 22 A D T 3 S- 0 0 112 -2,-0.4 234,-0.2 1,-0.3 0, 0.0 -0.475 121.0 -18.7 56.7-109.6 78.3 61.7 -58.9 22 23 A T T 3 S+ 0 0 59 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.306 118.5 96.5-110.0 7.4 80.4 64.4 -57.3 23 24 A D E < -F 20 0C 42 -3,-2.5 -3,-2.9 21,-0.0 2,-0.4 -0.817 57.3-158.4 -94.3 138.3 77.6 66.6 -55.9 24 25 A Y E -FG 19 42C 0 18,-2.6 18,-2.3 -2,-0.4 2,-0.4 -0.940 9.9-175.2-117.7 139.7 76.7 66.1 -52.2 25 26 A Y E -FG 18 41C 28 -7,-2.1 -7,-2.3 -2,-0.4 2,-0.5 -0.987 11.2-161.8-134.1 141.7 73.3 67.1 -50.8 26 27 A I E -FG 17 40C 0 14,-2.5 14,-2.5 -2,-0.4 2,-0.4 -0.989 6.2-160.2-123.0 129.3 71.9 67.2 -47.3 27 28 A A E -FG 16 39C 0 -11,-2.6 -11,-2.4 -2,-0.5 2,-0.3 -0.874 12.8-170.9-100.0 137.9 68.2 67.4 -46.6 28 29 A T E - G 0 38C 0 10,-2.1 10,-1.3 -2,-0.4 -14,-0.2 -0.913 27.5 -97.2-127.1 158.8 67.0 68.5 -43.1 29 30 A S - 0 0 0 -16,-1.4 44,-0.1 -2,-0.3 45,-0.1 -0.377 28.2-177.1 -75.1 149.6 63.6 68.6 -41.4 30 31 A T > - 0 0 0 42,-0.3 3,-2.3 43,-0.3 43,-0.1 0.501 11.7-170.5-126.0 -9.5 61.5 71.8 -41.4 31 32 A F B 3 S-I 72 0D 2 41,-2.7 41,-1.6 1,-0.3 -1,-0.2 -0.256 75.1 -6.5 53.7-125.3 58.5 70.9 -39.3 32 33 A E T 3 S+ 0 0 0 39,-0.2 314,-3.6 313,-0.1 2,-0.4 0.427 108.5 107.5 -81.1 0.5 55.9 73.7 -39.6 33 34 A W E < -N 345 0E 0 -3,-2.3 4,-0.2 312,-0.2 312,-0.2 -0.682 69.9-110.8 -88.5 133.7 58.2 76.1 -41.6 34 35 A F E S+N 344 0E 7 310,-3.7 310,-2.5 -2,-0.4 2,-0.2 -0.911 91.2 41.9-122.2 141.4 57.2 76.5 -45.3 35 36 A P S S- 0 0 31 0, 0.0 21,-0.2 0, 0.0 2,-0.1 0.489 98.3-121.7 -74.7 159.4 58.3 75.7 -47.9 36 37 A G B +W 55 0F 0 19,-2.6 19,-2.3 17,-0.2 -2,-0.1 -0.410 65.8 19.1 -88.1 149.9 59.3 72.2 -46.7 37 38 A V - 0 0 0 -4,-0.2 2,-0.3 16,-0.2 18,-0.2 0.916 68.1-129.7 69.5 106.3 62.6 70.3 -46.5 38 39 A Q E -G 28 0C 3 -10,-1.3 -10,-2.1 15,-0.2 2,-0.5 -0.660 20.8-161.8 -76.6 135.5 65.9 72.4 -46.7 39 40 A I E -GH 27 52C 0 13,-2.6 12,-2.8 -2,-0.3 13,-1.5 -0.984 6.8-173.1-119.6 122.3 68.4 71.1 -49.2 40 41 A H E -GH 26 50C 14 -14,-2.5 -14,-2.5 -2,-0.5 2,-0.3 -0.850 8.3-152.2-104.9 152.1 72.0 72.1 -48.9 41 42 A H E +GH 25 49C 20 8,-2.7 8,-2.0 -2,-0.3 2,-0.3 -0.878 16.1 169.2-125.6 152.3 74.7 71.3 -51.5 42 43 A S E -G 24 0C 0 -18,-2.3 -18,-2.6 -2,-0.3 6,-0.1 -0.985 27.6-162.8-155.0 150.6 78.5 70.9 -51.4 43 44 A K S S+ 0 0 59 4,-0.5 -1,-0.1 278,-0.3 5,-0.1 0.673 99.2 26.2 -96.3 -33.4 81.4 69.6 -53.5 44 45 A D S S- 0 0 3 3,-0.4 274,-0.2 277,-0.3 4,-0.1 0.400 96.7-120.8-117.1 1.4 83.9 69.2 -50.7 45 46 A L S S+ 0 0 0 2,-0.3 3,-0.1 1,-0.1 275,-0.0 0.357 102.0 77.2 68.7 -3.1 81.8 68.5 -47.5 46 47 A V S S+ 0 0 24 1,-0.3 2,-0.5 -43,-0.1 -42,-0.3 0.862 90.4 46.0 -96.1 -51.7 83.4 71.6 -46.0 47 48 A N S S- 0 0 38 274,-0.2 -4,-0.5 -44,-0.1 -3,-0.4 -0.864 70.7-178.1-104.0 126.8 81.5 74.4 -47.7 48 49 A W - 0 0 33 -2,-0.5 2,-0.3 -41,-0.2 -6,-0.2 -0.882 8.6-169.5-123.8 145.0 77.7 74.2 -47.9 49 50 A H E -H 41 0C 38 -8,-2.0 -8,-2.7 -2,-0.3 2,-0.4 -0.999 28.3-115.6-136.8 145.7 75.1 76.4 -49.5 50 51 A L E +H 40 0C 12 -2,-0.3 -10,-0.3 -10,-0.2 290,-0.1 -0.651 43.0 158.4 -77.4 124.7 71.3 76.3 -49.3 51 52 A V E + 0 0 38 -12,-2.8 2,-0.3 -2,-0.4 -11,-0.2 0.556 47.3 19.3-126.4 -15.2 69.8 75.6 -52.7 52 53 A A E -H 39 0C 7 -13,-1.5 -13,-2.6 288,-0.0 -1,-0.3 -1.000 30.1-165.0-159.3 155.4 66.3 74.2 -52.5 53 54 A H - 0 0 21 -2,-0.3 -16,-0.2 -15,-0.2 -17,-0.2 -0.795 19.7-174.2-134.8 93.9 63.0 73.6 -50.7 54 55 A P S S+ 0 0 3 0, 0.0 2,-2.0 0, 0.0 61,-0.3 0.857 70.7 70.3 -59.4 -37.3 61.2 70.9 -52.7 55 56 A L B +W 36 0F 0 -19,-2.3 -19,-2.6 -18,-0.2 -18,-0.0 -0.459 60.5 133.8 -87.9 73.9 57.9 70.9 -50.7 56 57 A N + 0 0 84 -2,-2.0 2,-0.3 -21,-0.2 -1,-0.2 0.226 50.0 58.7-117.2 15.1 56.7 74.3 -52.0 57 58 A R S >> S- 0 0 61 -3,-0.1 4,-2.3 1,-0.1 3,-1.5 -0.987 80.8-115.0-140.3 154.3 53.1 73.8 -53.0 58 59 A T T 34 S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.842 111.7 62.7 -53.6 -37.5 49.9 72.7 -51.1 59 60 A S T 34 S+ 0 0 74 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.778 114.2 35.6 -62.7 -23.7 49.5 69.5 -53.2 60 61 A L T <4 S+ 0 0 8 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.823 133.9 17.2 -91.0 -41.8 52.9 68.3 -51.8 61 62 A L < + 0 0 3 -4,-2.3 2,-0.6 11,-0.0 -1,-0.3 -0.931 58.6 176.4-145.0 110.6 52.6 69.8 -48.3 62 63 A D + 0 0 59 -2,-0.4 285,-0.1 -3,-0.2 9,-0.1 -0.913 16.6 152.0-120.4 102.9 49.4 70.9 -46.5 63 64 A X > + 0 0 0 283,-0.8 3,-2.3 -2,-0.6 2,-0.1 0.034 14.6 146.0-121.6 19.9 50.1 72.0 -42.9 64 65 A K T 3 S+ 0 0 82 1,-0.3 311,-0.2 282,-0.1 312,-0.1 -0.436 83.2 8.7 -58.8 127.6 47.4 74.5 -42.3 65 66 A G T 3 S+ 0 0 4 309,-1.9 -1,-0.3 1,-0.2 310,-0.1 0.419 93.5 152.7 80.6 -5.2 46.5 74.1 -38.7 66 67 A N < - 0 0 0 -3,-2.3 -1,-0.2 308,-0.2 26,-0.1 -0.263 48.6-107.8 -59.7 144.6 49.4 71.7 -38.0 67 68 A P > - 0 0 35 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.306 44.8 -81.7 -66.2 157.1 50.7 71.7 -34.4 68 69 A N T 3 S+ 0 0 25 1,-0.3 435,-0.1 -37,-0.1 3,-0.1 -0.392 120.5 14.6 -54.6 134.7 54.0 73.3 -33.5 69 70 A S T 3 S+ 0 0 1 1,-0.2 -1,-0.3 -39,-0.1 435,-0.2 0.664 106.9 105.8 61.8 20.6 56.8 70.8 -34.3 70 71 A G < + 0 0 0 -3,-2.1 -1,-0.2 433,-0.1 22,-0.2 -0.159 53.1 57.6 -95.5-155.4 54.4 68.7 -36.4 71 72 A G E S+ J 0 91D 0 20,-3.0 20,-2.3 -2,-0.1 2,-0.8 -0.473 101.8 26.4 72.0-135.1 54.6 68.7 -40.2 72 73 A I E +IJ 31 90D 0 -41,-1.6 -41,-2.7 18,-0.2 -42,-0.3 -0.482 68.6 174.3 -75.9 106.0 57.9 67.7 -41.8 73 74 A W - 0 0 17 16,-1.1 -43,-0.3 -2,-0.8 16,-0.3 -0.005 58.0 -22.3 -86.4-161.8 59.9 65.4 -39.5 74 75 A A S S- 0 0 4 -45,-0.1 54,-0.3 14,-0.1 -1,-0.3 -0.222 72.5-149.8 -51.6 128.2 63.2 63.8 -40.6 75 76 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.541 3.2-141.9 -92.9 163.9 63.3 63.6 -44.4 76 77 A D E -K 87 0D 9 11,-2.4 11,-2.8 -2,-0.2 2,-0.5 -0.964 16.4-174.5-129.4 119.8 65.1 61.0 -46.6 77 78 A L E +K 86 0D 5 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.940 11.1 166.0-115.9 126.8 66.9 62.1 -49.8 78 79 A S E -K 85 0D 16 7,-2.6 7,-2.6 -2,-0.5 2,-0.4 -0.925 26.1-143.4-134.0 164.4 68.4 59.6 -52.2 79 80 A Y E +K 84 0D 73 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.991 37.4 135.2-128.0 126.9 69.7 59.4 -55.7 80 81 A H E > +K 83 0D 63 3,-2.6 3,-1.3 -2,-0.4 -2,-0.1 -0.959 59.0 21.7-169.2 145.8 69.2 56.4 -57.9 81 82 A D T 3 S- 0 0 108 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.863 129.3 -61.1 57.4 31.5 68.2 55.6 -61.5 82 83 A G T 3 S+ 0 0 41 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.671 119.0 81.6 74.8 16.8 69.3 59.1 -62.5 83 84 A K E < S-K 80 0D 61 -3,-1.3 -3,-2.6 2,-0.0 2,-0.3 -0.965 76.4-107.8-144.2 164.3 66.8 61.0 -60.3 84 85 A F E -KL 79 108D 7 24,-3.2 24,-2.0 -2,-0.3 2,-0.4 -0.729 25.3-159.4 -91.3 142.8 66.3 62.2 -56.7 85 86 A W E -KL 78 107D 1 -7,-2.6 -7,-2.6 -2,-0.3 2,-0.5 -0.983 4.2-165.9-121.1 132.6 63.8 60.5 -54.4 86 87 A L E -KL 77 106D 0 20,-2.9 20,-2.2 -2,-0.4 2,-0.5 -0.975 3.5-165.8-124.6 117.7 62.5 62.3 -51.3 87 88 A I E +KL 76 105D 1 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.3 -0.879 20.9 175.8 -96.0 132.6 60.6 60.5 -48.6 88 89 A Y E - 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