==== 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 05-FEB-05 1YRZ . COMPND 2 MOLECULE: XYLAN BETA-1,4-XYLOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,S.C.ALMO,S.K.BURLEY,NEW YORK SGX RES . 1044 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 637 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 422 40.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 0.2 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 . 94 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 20 4 6 8 8 10 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 4 2 0 2 0 2 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 1004 A R 0 0 209 0, 0.0 2,-0.3 0, 0.0 305,-0.2 0.000 360.0 360.0 360.0 -46.9 17.4 13.7 28.3 2 1005 A I E -A 305 0A 0 303,-2.9 303,-2.6 1,-0.0 2,-0.6 -0.574 360.0-150.3 -72.6 129.7 16.5 17.4 28.4 3 1006 A Q E -A 304 0A 114 -2,-0.3 301,-0.2 42,-0.2 300,-0.1 -0.901 24.1-105.3-107.8 118.7 19.6 19.4 27.8 4 1007 A N S S+ 0 0 2 299,-3.4 276,-0.1 -2,-0.6 2,-0.1 -0.607 96.3 47.9 -89.7 150.7 19.8 22.9 29.4 5 1008 A P - 0 0 14 0, 0.0 275,-0.3 0, 0.0 -2,-0.1 0.482 64.9-175.9 -77.3 144.6 19.6 25.6 28.6 6 1009 A I S S+ 0 0 18 273,-1.2 274,-0.2 1,-0.3 41,-0.2 0.810 85.2 35.4 -74.1 -32.3 16.4 24.8 26.7 7 1010 A L B S-B 279 0B 6 272,-2.2 272,-2.0 4,-0.1 -1,-0.3 -0.786 89.0-163.8-123.4 84.4 16.2 28.3 25.3 8 1011 A P + 0 0 38 0, 0.0 369,-0.1 0, 0.0 269,-0.1 -0.264 52.1 25.5 -66.6 153.4 19.8 29.4 24.7 9 1012 A G S S- 0 0 0 267,-0.1 2,-0.7 367,-0.1 270,-0.3 -0.213 120.0 -5.0 82.1 179.3 20.7 33.0 24.2 10 1013 A F S S+ 0 0 2 365,-0.4 268,-0.2 487,-0.3 266,-0.1 -0.232 82.6 127.6 -50.5 92.8 18.8 36.0 25.5 11 1014 A H + 0 0 2 266,-3.1 -4,-0.1 -2,-0.7 -1,-0.1 -0.484 32.1 169.6-150.7 70.5 15.6 34.4 27.1 12 1015 A P + 0 0 0 0, 0.0 16,-1.7 0, 0.0 267,-0.1 -0.277 50.7 22.3 -83.4 169.2 15.2 35.6 30.7 13 1016 A D S S- 0 0 9 14,-0.2 2,-0.1 1,-0.2 235,-0.1 0.874 77.0-149.4 42.8 62.3 12.3 35.3 33.1 14 1017 A P - 0 0 1 0, 0.0 2,-0.6 0, 0.0 13,-0.2 -0.360 13.2-167.0 -64.7 131.5 10.5 32.2 31.7 15 1018 A S E -F 26 0C 4 11,-2.1 11,-2.4 -2,-0.1 2,-0.3 -0.956 15.7-167.7-118.4 104.7 6.8 32.1 32.2 16 1019 A I E +F 25 0C 6 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.703 12.2 169.3 -99.9 149.1 5.6 28.6 31.4 17 1020 A V E -F 24 0C 28 7,-2.1 7,-2.6 -2,-0.3 2,-0.5 -0.985 23.6-139.8-155.7 145.3 2.1 27.3 30.9 18 1021 A R E -F 23 0C 84 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.940 12.8-177.1-113.0 128.8 0.4 24.1 29.6 19 1022 A V E > -F 22 0C 26 3,-3.0 3,-2.0 -2,-0.5 2,-0.5 -0.914 68.2 -57.4-122.4 98.2 -2.7 24.3 27.4 20 1023 A G T 3 S- 0 0 45 -2,-0.5 234,-0.1 1,-0.3 0, 0.0 -0.526 121.6 -16.2 68.7-117.9 -3.8 20.7 26.8 21 1024 A D T 3 S+ 0 0 86 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.334 121.3 92.1-101.0 5.1 -0.9 18.9 25.1 22 1025 A D E < -F 19 0C 40 -3,-2.0 -3,-3.0 21,-0.1 2,-0.4 -0.837 57.0-160.9-106.2 140.0 0.9 22.2 24.2 23 1026 A Y E -FG 18 41C 0 18,-2.6 18,-2.2 -2,-0.4 2,-0.3 -0.933 8.7-172.1-117.2 139.6 3.5 23.9 26.4 24 1027 A Y E -FG 17 40C 21 -7,-2.6 -7,-2.1 -2,-0.4 2,-0.4 -0.977 9.5-164.9-133.8 146.7 4.5 27.6 26.0 25 1028 A I E -FG 16 39C 1 14,-2.1 14,-2.3 -2,-0.3 2,-0.4 -0.988 6.3-160.9-132.6 123.2 7.2 29.7 27.6 26 1029 A A E -FG 15 38C 0 -11,-2.4 -11,-2.1 -2,-0.4 2,-0.3 -0.859 12.6-169.6-103.2 138.2 7.2 33.5 27.4 27 1030 A T E - G 0 37C 0 10,-2.3 10,-1.7 -2,-0.4 -14,-0.2 -0.884 26.6 -97.6-126.4 158.1 10.5 35.4 28.1 28 1031 A S - 0 0 0 -16,-1.7 44,-0.2 -2,-0.3 45,-0.1 -0.386 28.4-177.3 -73.0 151.2 11.4 39.1 28.6 29 1032 A T > - 0 0 0 42,-0.5 3,-2.2 43,-0.3 43,-0.2 0.474 10.9-171.9-128.1 -9.5 12.6 41.2 25.7 30 1033 A F B 3 S-I 71 0D 4 41,-2.7 41,-1.6 1,-0.3 -1,-0.2 -0.205 73.6 -5.3 50.5-124.2 13.5 44.6 27.2 31 1034 A E T 3 S+ 0 0 1 39,-0.2 306,-3.0 38,-0.1 2,-0.4 0.549 109.0 105.5 -79.4 -4.5 14.3 47.2 24.5 32 1035 A W E < S-N 336 0E 0 -3,-2.2 304,-0.2 304,-0.2 4,-0.2 -0.636 72.0-107.8 -83.0 131.2 14.2 44.6 21.6 33 1036 A F E S+N 335 0E 7 302,-3.2 302,-2.4 -2,-0.4 2,-0.2 -0.809 92.9 44.5-106.3 140.9 11.1 44.7 19.3 34 1037 A P S S- 0 0 29 0, 0.0 2,-0.2 0, 0.0 21,-0.2 0.537 94.3-124.0 -70.3 162.6 8.7 42.9 19.0 35 1038 A G B +W 54 0F 0 19,-2.1 19,-1.9 -2,-0.2 -2,-0.1 -0.568 68.5 15.4 -87.8 143.8 8.0 42.5 22.7 36 1039 A V - 0 0 0 -2,-0.2 2,-0.5 -4,-0.2 18,-0.2 0.766 69.1-135.3 67.1 120.3 7.7 39.2 24.6 37 1040 A R E -G 27 0C 5 -10,-1.7 -10,-2.3 15,-0.2 2,-0.5 -0.901 17.4-163.2-107.6 131.0 9.1 36.1 23.0 38 1041 A I E -GH 26 51C 0 13,-2.7 12,-2.9 -2,-0.5 13,-1.7 -0.964 4.8-171.8-120.6 128.3 7.0 32.9 23.1 39 1042 A H E -GH 25 49C 13 -14,-2.3 -14,-2.1 -2,-0.5 2,-0.3 -0.825 10.0-146.4-114.2 154.4 8.3 29.4 22.5 40 1043 A H E +GH 24 48C 8 8,-3.4 8,-1.8 -2,-0.3 2,-0.3 -0.921 17.8 169.0-127.0 147.7 6.4 26.1 22.1 41 1044 A S E -G 23 0C 0 -18,-2.2 -18,-2.6 -2,-0.3 6,-0.1 -0.987 24.8-166.9-151.0 157.2 7.0 22.5 23.0 42 1045 A R S S+ 0 0 75 4,-0.4 5,-0.1 271,-0.3 -1,-0.1 0.469 98.4 26.8-121.2 -10.7 5.1 19.2 23.2 43 1046 A D S S- 0 0 6 3,-0.5 267,-0.2 270,-0.2 4,-0.1 0.377 97.6-121.7-131.2 -1.5 7.7 17.1 25.1 44 1047 A L S S+ 0 0 0 2,-0.4 3,-0.1 263,-0.1 268,-0.0 0.391 101.7 77.9 71.4 -1.8 9.6 19.8 27.0 45 1048 A K S S+ 0 0 57 1,-0.2 2,-0.4 -43,-0.1 -42,-0.2 0.807 90.2 46.5-101.5 -42.4 12.8 18.6 25.3 46 1049 A H S S- 0 0 45 267,-0.1 -3,-0.5 -44,-0.1 -4,-0.4 -0.875 70.4-174.0-107.7 134.9 12.4 20.3 21.9 47 1050 A W - 0 0 36 -2,-0.4 2,-0.3 -41,-0.2 -6,-0.2 -0.931 8.6-177.5-129.8 151.7 11.4 23.9 21.5 48 1051 A R E -H 40 0C 111 -8,-1.8 -8,-3.4 -2,-0.3 2,-0.2 -0.972 35.0-102.7-142.7 155.1 10.5 26.2 18.7 49 1052 A F E +H 39 0C 40 -2,-0.3 -10,-0.3 -10,-0.3 3,-0.1 -0.577 38.4 169.4 -75.2 139.1 9.6 29.9 18.4 50 1053 A V E - 0 0 21 -12,-2.9 2,-0.3 1,-0.4 -11,-0.2 0.661 52.1 -29.6-121.9 -32.3 5.8 30.4 18.0 51 1054 A S E -H 38 0C 13 -13,-1.7 -13,-2.7 280,-0.0 -1,-0.4 -0.989 30.4-135.0-176.8 167.5 5.2 34.2 18.4 52 1055 A S - 0 0 18 -2,-0.3 -15,-0.2 -15,-0.2 -16,-0.1 -0.918 23.2-161.3-137.0 103.0 5.9 37.6 19.8 53 1056 A P S S+ 0 0 3 0, 0.0 2,-1.2 0, 0.0 61,-0.2 0.803 71.8 71.2 -54.2 -43.6 2.6 39.2 20.9 54 1057 A L B +W 35 0F 0 -19,-1.9 -19,-2.1 -18,-0.2 62,-0.0 -0.667 50.6 135.7 -89.0 94.0 3.6 42.9 21.1 55 1058 A T + 0 0 73 -2,-1.2 2,-0.3 -21,-0.2 -1,-0.2 0.474 52.3 70.9-115.1 -6.6 3.9 44.0 17.5 56 1059 A R S >> S- 0 0 90 -3,-0.2 4,-2.7 1,-0.1 3,-1.6 -0.881 74.1-132.2-116.5 147.2 2.2 47.4 17.5 57 1060 A T T 34 S+ 0 0 82 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.749 109.5 66.8 -65.0 -21.4 3.2 50.7 19.0 58 1061 A S T 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.763 111.7 34.1 -68.9 -23.2 -0.4 50.8 20.4 59 1062 A Q T <4 S+ 0 0 6 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.813 136.5 15.5 -95.3 -40.9 0.7 47.9 22.5 60 1063 A L < + 0 0 2 -4,-2.7 2,-0.6 57,-0.0 -1,-0.3 -0.926 57.5 178.9-144.5 114.5 4.3 48.8 23.1 61 1064 A D + 0 0 98 -2,-0.4 277,-0.1 -3,-0.2 9,-0.1 -0.883 16.9 154.9-116.8 97.8 5.9 52.2 22.5 62 1065 A M > + 0 0 0 275,-0.8 3,-2.9 -2,-0.6 276,-0.2 0.328 17.6 136.5-108.1 7.3 9.6 52.1 23.5 63 1066 A K T 3 S+ 0 0 110 1,-0.3 303,-0.2 274,-0.2 3,-0.1 -0.359 82.7 16.3 -55.9 125.4 11.1 54.9 21.4 64 1067 A G T 3 S+ 0 0 34 301,-2.1 -1,-0.3 1,-0.3 2,-0.2 0.396 88.2 146.6 91.6 -5.2 13.5 56.6 23.9 65 1068 A N < - 0 0 6 -3,-2.9 -1,-0.3 300,-0.2 3,-0.1 -0.457 51.4-116.6 -66.5 133.9 13.5 53.8 26.4 66 1069 A M > - 0 0 43 25,-0.4 3,-1.8 -2,-0.2 -1,-0.1 -0.236 47.0 -73.7 -66.7 160.9 16.9 53.5 28.2 67 1070 A N T 3 S+ 0 0 27 1,-0.3 -1,-0.1 -37,-0.1 3,-0.1 -0.280 121.3 14.8 -55.7 141.8 19.0 50.4 27.7 68 1071 A S T 3 S+ 0 0 3 1,-0.2 -1,-0.3 -3,-0.1 -38,-0.1 0.621 104.9 107.5 64.8 15.4 17.5 47.4 29.7 69 1072 A G < + 0 0 0 -3,-1.8 22,-0.2 22,-0.1 -1,-0.2 -0.029 51.6 59.3 -95.0-152.4 14.3 49.3 30.2 70 1073 A G E S+ J 0 90D 0 20,-2.7 20,-2.0 -39,-0.1 2,-0.7 -0.411 99.1 24.3 73.0-143.2 11.2 48.2 28.3 71 1074 A I E +IJ 30 89D 0 -41,-1.6 -41,-2.7 18,-0.2 -42,-0.5 -0.457 68.7 173.4 -67.9 103.8 9.8 44.7 28.6 72 1075 A W - 0 0 17 16,-1.0 -43,-0.3 -2,-0.7 16,-0.3 -0.015 55.4 -21.7 -89.9-159.8 10.8 43.1 31.9 73 1076 A A S S- 0 0 3 -45,-0.1 53,-0.3 14,-0.1 -1,-0.3 -0.212 72.1-160.0 -50.8 126.4 9.5 39.7 33.3 74 1077 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.566 9.8-139.5-104.8 171.1 6.2 38.8 31.6 75 1078 A C E -K 86 0D 6 11,-2.4 11,-2.8 -2,-0.2 2,-0.5 -0.964 11.8-169.8-136.1 118.3 3.4 36.4 32.6 76 1079 A L E +K 85 0D 2 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.934 18.8 161.3-108.9 122.8 1.6 34.2 30.1 77 1080 A S E -K 84 0D 12 7,-2.9 7,-2.8 -2,-0.5 2,-0.3 -0.820 23.8-146.6-132.3 172.8 -1.5 32.4 31.4 78 1081 A Y E +K 83 0D 82 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.998 19.1 164.3-144.1 139.1 -4.6 30.6 29.9 79 1082 A H E > -K 82 0D 48 3,-2.3 3,-1.4 -2,-0.3 -2,-0.0 -0.908 64.6 -15.4-160.1 128.8 -8.1 30.3 31.1 80 1083 A D T 3 S- 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.903 128.2 -41.8 43.6 59.9 -11.4 29.3 29.5 81 1084 A G T 3 S+ 0 0 30 1,-0.1 2,-0.4 27,-0.0 -1,-0.3 0.508 118.3 101.3 73.3 5.1 -10.3 29.6 25.9 82 1085 A T E < -K 79 0D 18 -3,-1.4 -3,-2.3 24,-0.0 2,-0.4 -0.980 61.2-140.7-131.8 135.0 -8.3 32.8 26.3 83 1086 A F E -KL 78 107D 10 24,-3.5 24,-1.4 -2,-0.4 2,-0.5 -0.719 17.7-156.3 -87.0 134.2 -4.6 33.5 26.6 84 1087 A Y E -KL 77 106D 4 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.5 -0.961 7.9-171.1-115.7 124.9 -3.6 36.3 29.1 85 1088 A L E -KL 76 105D 0 20,-2.6 20,-2.0 -2,-0.5 2,-0.5 -0.958 1.0-169.8-118.7 117.5 -0.3 38.1 28.7 86 1089 A I E +KL 75 104D 0 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.3 -0.895 18.6 167.4-104.1 132.8 0.7 40.5 31.5 87 1090 A Y E - 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