==== 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-DEC-04 1Y7B . 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) . 72241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1326 62.1 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 . 829 38.8 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 . 4 0.2 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 . 243 11.4 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 35 12 12 16 18 19 15 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 . 7 0 11 5 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 0 101 0, 0.0 314,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.7 96.9 70.3 -42.8 2 3 A L E -A 314 0A 84 312,-0.1 2,-0.6 44,-0.0 312,-0.2 -0.952 360.0-105.3-141.4 152.6 95.2 68.5 -39.9 3 4 A I E -A 313 0A 0 310,-3.0 310,-2.8 -2,-0.3 2,-0.7 -0.773 33.5-160.8 -82.5 122.2 91.6 67.5 -39.3 4 5 A K E -A 312 0A 99 -2,-0.6 308,-0.2 42,-0.3 307,-0.1 -0.895 29.6-103.9-107.9 104.4 90.3 69.9 -36.6 5 6 A N S S+ 0 0 6 306,-3.1 285,-0.1 -2,-0.7 2,-0.1 -0.472 99.3 45.0 -78.7 148.9 87.2 68.4 -35.0 6 7 A P - 0 0 1 0, 0.0 284,-0.3 0, 0.0 3,-0.1 0.474 65.3-178.4 -76.8 144.9 84.3 68.9 -35.2 7 8 A I S S+ 0 0 22 282,-1.4 2,-0.5 1,-0.2 41,-0.2 0.750 79.5 41.6 -77.8 -28.7 84.5 69.0 -39.0 8 9 A L B S-B 289 0B 4 281,-1.9 281,-2.3 4,-0.1 -1,-0.2 -0.982 88.7-154.4-119.9 112.1 80.8 69.8 -39.4 9 10 A R + 0 0 88 -2,-0.5 377,-0.1 279,-0.2 374,-0.1 -0.536 49.6 11.1 -97.7 157.9 79.7 72.4 -36.8 10 11 A G S S+ 0 0 0 -2,-0.2 279,-0.2 375,-0.1 375,-0.1 -0.133 120.7 0.5 63.2-172.5 76.3 73.0 -35.2 11 12 A F S S+ 0 0 1 373,-0.4 277,-0.2 497,-0.3 275,-0.1 -0.149 83.7 126.2 -55.6 107.7 73.4 70.6 -35.7 12 13 A N + 0 0 0 275,-3.7 -4,-0.1 494,-0.2 -1,-0.1 -0.369 33.4 166.8-164.9 65.8 74.8 67.9 -37.8 13 14 A P + 0 0 0 0, 0.0 16,-1.4 0, 0.0 276,-0.1 -0.211 46.8 29.0 -88.0 173.2 74.3 64.5 -36.2 14 15 A D S S- 0 0 10 14,-0.2 2,-0.1 1,-0.2 235,-0.1 0.853 75.6-151.1 53.8 54.1 74.5 60.8 -37.3 15 16 A P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 13,-0.2 -0.367 12.9-166.5 -67.9 127.6 77.2 61.2 -39.9 16 17 A S E -F 27 0C 4 11,-2.3 11,-2.3 -2,-0.1 2,-0.3 -0.939 14.1-156.9-109.1 106.7 77.1 58.7 -42.8 17 18 A I E -F 26 0C 11 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.685 13.2-178.4 -91.4 140.1 80.4 58.9 -44.6 18 19 A C E -F 25 0C 8 7,-2.6 7,-2.4 -2,-0.3 2,-0.5 -0.995 16.5-151.0-141.8 130.5 80.6 57.8 -48.2 19 20 A R E -F 24 0C 101 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.852 9.9-178.1-100.9 133.1 83.5 57.6 -50.7 20 21 A A E > -F 23 0C 5 3,-3.2 3,-2.6 -2,-0.5 2,-0.4 -0.909 69.1 -62.7-127.6 97.2 82.8 57.9 -54.5 21 22 A D T 3 S- 0 0 108 -2,-0.5 234,-0.2 1,-0.3 0, 0.0 -0.458 121.2 -15.5 59.9-110.5 86.2 57.5 -56.2 22 23 A T T 3 S+ 0 0 62 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.278 119.2 96.2-104.8 9.2 88.2 60.5 -54.8 23 24 A D E < -F 20 0C 38 -3,-2.6 -3,-3.2 21,-0.0 2,-0.4 -0.858 57.3-158.5-100.0 141.6 85.2 62.4 -53.5 24 25 A Y E -FG 19 42C 0 18,-2.7 18,-2.6 -2,-0.4 2,-0.3 -0.936 11.3-177.7-119.6 133.6 84.1 62.2 -49.8 25 26 A Y E -FG 18 41C 28 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.5 -0.978 13.5-160.1-131.6 146.3 80.6 63.0 -48.6 26 27 A I E -FG 17 40C 0 14,-2.4 14,-2.3 -2,-0.3 2,-0.5 -0.989 6.8-158.9-125.7 124.4 78.9 63.0 -45.2 27 28 A A E -FG 16 39C 0 -11,-2.3 -11,-2.3 -2,-0.5 2,-0.3 -0.882 14.0-168.6 -94.9 132.4 75.1 62.9 -44.8 28 29 A T E - G 0 38C 0 10,-2.4 10,-1.7 -2,-0.5 -14,-0.2 -0.907 25.6-101.7-119.9 152.2 73.7 64.2 -41.5 29 30 A S - 0 0 0 -16,-1.4 44,-0.1 -2,-0.3 45,-0.1 -0.347 28.4-177.8 -70.6 148.2 70.2 63.9 -40.0 30 31 A T > - 0 0 0 42,-0.4 3,-2.3 43,-0.3 43,-0.2 0.417 10.9-171.3-125.8 -8.6 67.8 66.9 -40.2 31 32 A F B 3 S-I 72 0D 3 41,-2.9 41,-1.9 1,-0.3 -1,-0.2 -0.205 74.2 -4.0 51.6-122.4 64.7 65.8 -38.3 32 33 A E T 3 S+ 0 0 0 39,-0.2 314,-3.4 40,-0.1 2,-0.3 0.548 108.5 105.7 -80.6 -5.5 61.9 68.4 -38.7 33 34 A W E < S-N 345 0E 0 -3,-2.3 312,-0.2 312,-0.2 4,-0.2 -0.601 70.4-109.8 -86.7 135.3 64.0 70.9 -40.7 34 35 A F E S+N 344 0E 7 310,-3.4 310,-2.7 -2,-0.3 2,-0.1 -0.877 92.3 41.7-120.8 142.7 63.4 71.1 -44.5 35 36 A P S S- 0 0 34 0, 0.0 21,-0.2 0, 0.0 2,-0.1 0.502 97.1-125.2 -71.0 157.2 64.8 70.3 -47.0 36 37 A G B +W 55 0F 0 19,-2.4 19,-2.2 17,-0.2 -2,-0.1 -0.405 64.9 21.2 -88.1 150.7 65.9 67.0 -45.5 37 38 A V - 0 0 0 -4,-0.2 2,-0.4 16,-0.2 18,-0.2 0.912 67.3-131.9 67.6 105.9 69.4 65.4 -45.1 38 39 A Q E -G 28 0C 2 -10,-1.7 -10,-2.4 15,-0.2 2,-0.5 -0.689 20.0-164.9 -80.0 134.2 72.4 67.6 -45.2 39 40 A I E -GH 27 52C 0 13,-2.4 12,-2.8 -2,-0.4 13,-1.5 -0.987 5.0-172.8-119.5 125.5 75.2 66.4 -47.5 40 41 A H E -GH 26 50C 14 -14,-2.3 -14,-2.4 -2,-0.5 2,-0.3 -0.860 9.7-148.3-111.6 153.1 78.7 67.9 -47.2 41 42 A H E +GH 25 49C 18 8,-2.6 8,-1.8 -2,-0.3 2,-0.3 -0.864 17.1 171.5-121.0 150.5 81.6 67.2 -49.6 42 43 A S E -G 24 0C 0 -18,-2.6 -18,-2.7 -2,-0.3 6,-0.1 -0.986 26.7-164.4-153.6 150.9 85.3 67.1 -49.2 43 44 A K S S+ 0 0 62 4,-0.4 -1,-0.1 278,-0.4 5,-0.1 0.681 98.8 24.9 -95.5 -30.9 88.4 66.1 -51.1 44 45 A D S S- 0 0 2 3,-0.4 274,-0.2 277,-0.3 4,-0.1 0.452 95.8-119.0-122.5 -0.9 90.8 65.9 -48.2 45 46 A L S S+ 0 0 0 2,-0.3 3,-0.1 270,-0.1 246,-0.0 0.278 103.5 76.5 71.7 -5.6 88.7 65.2 -45.0 46 47 A V S S+ 0 0 23 1,-0.2 2,-0.4 -43,-0.1 -42,-0.3 0.881 90.6 44.0 -93.4 -53.2 90.0 68.5 -43.6 47 48 A N S S- 0 0 36 274,-0.2 -3,-0.4 -44,-0.1 -4,-0.4 -0.876 70.4-176.9-104.5 128.0 87.9 71.1 -45.5 48 49 A W - 0 0 32 -2,-0.4 2,-0.3 -41,-0.2 -6,-0.2 -0.917 8.1-169.8-126.8 146.5 84.1 70.5 -45.9 49 50 A H E -H 41 0C 38 -8,-1.8 -8,-2.6 -2,-0.3 2,-0.5 -0.998 28.7-115.1-139.4 146.0 81.4 72.4 -47.7 50 51 A L E +H 40 0C 12 -2,-0.3 -10,-0.2 -10,-0.2 290,-0.1 -0.642 43.8 158.6 -80.4 123.5 77.6 72.0 -47.6 51 52 A V E + 0 0 36 -12,-2.8 2,-0.3 -2,-0.5 -11,-0.2 0.615 46.8 13.9-125.4 -18.1 76.4 71.0 -51.1 52 53 A A E -H 39 0C 6 -13,-1.5 -13,-2.4 288,-0.0 -1,-0.3 -1.000 31.5-162.3-158.3 156.1 73.0 69.3 -51.1 53 54 A H - 0 0 19 -2,-0.3 -16,-0.2 -15,-0.2 -15,-0.2 -0.770 20.1-170.6-138.0 94.5 69.7 68.5 -49.4 54 55 A P S S+ 0 0 2 0, 0.0 2,-1.7 0, 0.0 61,-0.4 0.785 70.9 70.3 -53.3 -37.0 68.2 65.6 -51.3 55 56 A L B +W 36 0F 0 -19,-2.2 -19,-2.4 -18,-0.2 -18,-0.0 -0.558 59.2 134.3 -94.6 79.7 64.8 65.5 -49.7 56 57 A N + 0 0 81 -2,-1.7 2,-0.3 -21,-0.2 -1,-0.2 0.120 50.2 62.6-124.0 16.1 63.4 68.7 -51.1 57 58 A R S >> S- 0 0 60 1,-0.1 4,-2.5 -3,-0.1 3,-1.3 -0.988 79.8-118.7-140.4 155.3 60.0 67.8 -52.3 58 59 A T T 34 S+ 0 0 74 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.837 112.3 62.1 -60.5 -35.9 56.8 66.6 -50.6 59 60 A S T 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.797 113.5 36.8 -63.4 -26.3 56.7 63.4 -52.6 60 61 A L T <4 S+ 0 0 8 -3,-1.3 2,-0.4 1,-0.3 -2,-0.2 0.839 134.4 15.3 -86.7 -34.7 60.1 62.6 -51.0 61 62 A L < + 0 0 2 -4,-2.5 2,-0.6 11,-0.0 -1,-0.3 -0.924 57.3 177.6-151.0 114.8 59.5 64.0 -47.6 62 63 A D + 0 0 57 -2,-0.4 285,-0.1 -3,-0.2 9,-0.1 -0.914 16.8 154.0-122.8 99.4 56.1 65.0 -46.0 63 64 A M > + 0 0 0 283,-0.9 3,-2.7 -2,-0.6 284,-0.1 0.199 16.2 143.8-116.2 15.3 56.6 66.2 -42.4 64 65 A K T 3 S+ 0 0 77 1,-0.3 311,-0.2 282,-0.2 312,-0.1 -0.352 82.9 8.5 -57.4 125.9 53.6 68.5 -42.0 65 66 A G T 3 S+ 0 0 5 309,-2.2 -1,-0.3 1,-0.2 310,-0.1 0.410 92.2 152.6 78.6 -0.1 52.5 68.0 -38.3 66 67 A N < - 0 0 0 -3,-2.7 -1,-0.2 308,-0.2 26,-0.1 -0.294 49.0-108.2 -60.7 147.1 55.5 65.9 -37.4 67 68 A P > - 0 0 31 0, 0.0 3,-2.0 0, 0.0 2,-0.1 -0.262 47.0 -79.6 -66.1 157.2 56.5 66.0 -33.7 68 69 A N T 3 S+ 0 0 28 1,-0.3 435,-0.1 -37,-0.1 3,-0.1 -0.413 122.0 15.1 -53.9 134.2 59.7 67.9 -32.7 69 70 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -39,-0.1 435,-0.2 0.674 105.8 110.5 63.3 19.2 62.7 65.8 -33.4 70 71 A G < + 0 0 0 -3,-2.0 -1,-0.2 433,-0.1 22,-0.2 -0.099 51.1 55.3 -89.0-156.9 60.6 63.5 -35.6 71 72 A G E S+ J 0 91D 0 20,-2.5 20,-2.0 -39,-0.1 2,-0.7 -0.464 101.7 27.8 68.5-134.4 61.1 63.4 -39.3 72 73 A I E +IJ 31 90D 0 -41,-1.9 -41,-2.9 18,-0.2 -42,-0.4 -0.456 67.6 174.2 -78.2 106.1 64.6 62.6 -40.6 73 74 A W - 0 0 16 16,-1.3 -43,-0.3 -2,-0.7 16,-0.3 0.007 58.2 -23.1 -87.3-162.1 66.6 60.5 -38.2 74 75 A A S S- 0 0 4 -45,-0.1 54,-0.3 14,-0.1 -1,-0.3 -0.236 72.3-150.4 -50.1 126.5 70.1 59.0 -39.0 75 76 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.529 3.0-142.9 -92.0 167.9 70.5 58.8 -42.9 76 77 A D E -K 87 0D 8 11,-2.2 11,-2.6 -2,-0.2 2,-0.5 -0.954 15.1-173.6-137.0 116.1 72.6 56.3 -44.8 77 78 A L E +K 86 0D 5 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.937 11.5 166.8-114.4 126.4 74.4 57.4 -47.9 78 79 A S E -K 85 0D 14 7,-2.4 7,-2.4 -2,-0.5 2,-0.4 -0.860 25.4-144.3-132.7 164.5 76.3 54.8 -50.0 79 80 A Y E +K 84 0D 68 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.970 36.7 139.9-136.0 118.2 77.8 54.8 -53.5 80 81 A H E > +K 83 0D 64 3,-2.4 3,-1.7 -2,-0.4 -2,-0.1 -0.986 58.0 19.4-158.2 149.7 77.6 51.6 -55.6 81 82 A D T 3 S- 0 0 112 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.841 129.2 -60.7 56.0 33.5 77.0 50.6 -59.2 82 83 A G T 3 S+ 0 0 38 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.562 119.1 82.0 75.7 9.5 77.9 54.1 -60.3 83 84 A K E < S-K 80 0D 51 -3,-1.7 -3,-2.4 27,-0.0 2,-0.3 -0.946 77.1-106.2-141.2 165.2 75.1 55.9 -58.4 84 85 A F E -KL 79 108D 9 24,-2.8 24,-1.8 -2,-0.3 2,-0.4 -0.716 26.3-159.6 -91.3 145.1 74.3 57.2 -54.8 85 86 A W E -KL 78 107D 2 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.5 -0.984 4.6-167.3-125.6 129.2 71.8 55.4 -52.6 86 87 A L E -KL 77 106D 0 20,-3.1 20,-2.4 -2,-0.4 2,-0.5 -0.974 4.8-166.8-124.5 119.0 70.2 57.2 -49.7 87 88 A I E +KL 76 105D 2 -11,-2.6 -11,-2.2 -2,-0.5 2,-0.3 -0.894 20.5 174.9 -98.2 128.2 68.2 55.4 -47.0 88 89 A Y E - 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