==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-AUG-96 1UKR . COMPND 2 MOLECULE: ENDO-1,4-B-XYLANASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR U.KRENGEL,B.W.DIJKSTRA . 724 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 336 46.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 0 0.0 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 . 74 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 1 0 0 0 1 3 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 . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 4 0 0 4 12 4 8 4 4 0 4 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 4 0 0 4 0 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 3 A G 0 0 99 0, 0.0 19,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 78.2 35.3 28.4 11.9 2 4 A I + 0 0 29 17,-0.4 40,-0.2 1,-0.1 3,-0.1 -0.290 360.0 155.1 -56.5 128.8 37.9 26.7 14.1 3 5 A N + 0 0 57 38,-2.2 2,-0.4 1,-0.2 39,-0.2 0.186 55.7 64.5-138.5 11.5 36.6 23.8 16.1 4 6 A Y E -A 41 0A 7 37,-1.6 37,-2.4 159,-0.1 2,-0.5 -0.999 57.7-158.7-141.6 136.4 39.7 21.6 16.7 5 7 A V E -A 40 0A 2 -2,-0.4 2,-0.6 35,-0.2 35,-0.2 -0.975 14.0-148.5-115.2 122.8 42.9 22.3 18.6 6 8 A Q E +A 39 0A 4 33,-2.7 33,-1.9 -2,-0.5 2,-0.4 -0.841 25.3 164.8 -93.5 122.8 45.9 20.2 17.6 7 9 A N E +A 38 0A 14 -2,-0.6 2,-0.6 31,-0.2 31,-0.2 -0.841 6.6 162.7-142.8 97.3 48.2 19.5 20.5 8 10 A Y E S-A 37 0A 58 29,-2.2 29,-2.0 -2,-0.4 -2,-0.0 -0.960 86.6 -26.6-117.5 106.4 50.8 16.8 20.1 9 11 A N S > S+ 0 0 55 -2,-0.6 3,-2.3 27,-0.2 4,-0.2 0.759 80.2 158.5 53.8 38.3 53.5 17.3 22.8 10 12 A G G > + 0 0 4 1,-0.3 3,-1.5 27,-0.2 5,-0.3 0.672 61.9 78.0 -55.9 -21.1 52.8 21.0 22.9 11 13 A N G 3 S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.637 74.7 74.0 -63.4 -21.5 54.4 20.9 26.3 12 14 A L G < S+ 0 0 57 -3,-2.3 -1,-0.3 23,-0.1 2,-0.2 0.586 114.3 9.4 -69.9 -11.8 57.9 20.8 24.7 13 15 A G S < S- 0 0 24 -3,-1.5 2,-0.7 -4,-0.2 15,-0.2 -0.686 100.8 -72.9-145.1-160.2 57.5 24.5 24.0 14 16 A D E -H 27 0B 97 13,-2.6 13,-1.3 -2,-0.2 2,-0.6 -0.879 48.4-174.9-115.0 100.9 55.1 27.3 24.8 15 17 A F E +H 26 0B 28 -2,-0.7 2,-0.3 -5,-0.3 11,-0.2 -0.873 6.8 171.4 -99.3 120.0 51.8 26.8 22.9 16 18 A T E +H 25 0B 76 9,-2.2 9,-2.4 -2,-0.6 2,-0.3 -0.933 6.7 166.8-124.3 146.1 49.2 29.6 23.1 17 19 A Y E -H 24 0B 47 -2,-0.3 2,-0.3 7,-0.3 7,-0.2 -0.988 28.9-160.6-157.1 162.9 45.9 29.8 21.1 18 20 A D E >> -H 23 0B 75 5,-2.2 5,-1.9 -2,-0.3 4,-1.1 -0.889 8.0-166.8-148.6 105.3 42.5 31.4 20.7 19 21 A E T 45S+ 0 0 49 -2,-0.3 -17,-0.4 1,-0.2 -1,-0.1 0.763 88.0 56.5 -66.6 -28.5 40.1 29.4 18.6 20 22 A S T 45S+ 0 0 118 1,-0.2 -1,-0.2 -19,-0.1 -18,-0.1 0.887 113.0 38.8 -73.1 -40.2 37.7 32.4 18.3 21 23 A A T 45S- 0 0 54 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.612 106.5-128.6 -80.5 -15.7 40.4 34.7 16.9 22 24 A G T <5 + 0 0 4 -4,-1.1 158,-2.8 1,-0.2 2,-0.3 0.818 66.6 124.8 69.9 33.3 41.8 31.8 14.8 23 25 A T E < +HI 18 179B 45 -5,-1.9 -5,-2.2 156,-0.2 2,-0.3 -0.872 29.0 161.6-123.8 155.1 45.4 32.6 16.1 24 26 A F E -HI 17 178B 4 154,-2.0 154,-2.7 -2,-0.3 2,-0.3 -0.961 14.6-159.1-158.7 160.9 48.1 30.5 17.9 25 27 A S E -HI 16 177B 20 -9,-2.4 -9,-2.2 -2,-0.3 2,-0.4 -0.974 1.5-162.7-145.7 156.3 51.8 30.7 18.6 26 28 A M E -HI 15 176B 0 150,-2.4 150,-1.8 -2,-0.3 2,-0.5 -0.976 4.0-169.2-141.9 122.7 54.5 28.3 19.5 27 29 A Y E +HI 14 175B 89 -13,-1.3 -13,-2.6 -2,-0.4 148,-0.2 -0.964 19.9 159.7-113.6 127.9 57.9 29.2 21.0 28 30 A W > + 0 0 5 146,-2.9 3,-2.0 -2,-0.5 147,-0.2 -0.238 23.3 142.5-138.3 42.9 60.6 26.5 21.2 29 31 A E T 3 + 0 0 117 144,-0.3 144,-0.1 1,-0.3 3,-0.1 0.512 68.9 55.6 -62.6 -12.1 63.5 29.0 21.5 30 32 A D T 3 S- 0 0 169 1,-0.3 -1,-0.3 144,-0.1 143,-0.1 0.365 118.0-107.4 -96.5 -5.7 65.4 26.8 24.0 31 33 A G < - 0 0 29 -3,-2.0 -1,-0.3 143,-0.2 2,-0.3 -0.153 25.3-128.9 99.1 161.0 65.3 23.9 21.6 32 34 A V B -L 172 0C 18 140,-1.0 140,-0.6 -3,-0.1 138,-0.1 -0.945 13.1-172.6-141.8 150.8 63.5 20.7 21.4 33 35 A S S S+ 0 0 123 -2,-0.3 2,-0.3 138,-0.2 138,-0.1 0.119 72.7 56.5-135.3 24.6 64.8 17.1 20.8 34 36 A S S S- 0 0 63 -25,-0.1 2,-0.2 135,-0.1 135,-0.1 -0.958 93.5 -84.5-147.6 160.5 61.5 15.3 20.4 35 37 A D + 0 0 47 -2,-0.3 2,-0.3 135,-0.1 135,-0.2 -0.432 40.2 173.4 -74.0 133.9 58.6 15.8 18.0 36 38 A F E - B 0 169A 0 133,-2.1 133,-1.6 -2,-0.2 2,-0.4 -0.984 10.7-173.8-129.1 151.6 55.7 18.3 18.5 37 39 A V E +AB 8 168A 4 -29,-2.0 -29,-2.2 -2,-0.3 2,-0.3 -0.947 18.1 166.6-137.6 115.9 52.8 19.2 16.1 38 40 A V E +AB 7 167A 0 129,-2.4 129,-2.3 -2,-0.4 2,-0.3 -0.934 13.6 108.8-129.0 153.1 50.5 22.1 17.3 39 41 A G E -AB 6 166A 0 -33,-1.9 -33,-2.7 -2,-0.3 2,-0.3 -0.976 51.8 -90.5 168.6-173.6 47.9 24.2 15.5 40 42 A L E +AB 5 165A 0 125,-1.4 125,-2.4 -2,-0.3 2,-0.2 -0.951 53.4 104.5-128.8 149.1 44.3 25.1 14.9 41 43 A G E -AB 4 164A 0 -37,-2.4 -38,-2.2 -2,-0.3 -37,-1.6 -0.793 56.7 -43.2-179.7-140.1 41.7 23.7 12.5 42 44 A W E - B 0 163A 51 121,-2.7 121,-2.1 -2,-0.2 3,-0.1 -0.932 31.5-130.4-131.4 143.7 38.7 21.5 11.9 43 45 A T S S+ 0 0 57 -2,-0.3 2,-0.4 119,-0.2 -1,-0.1 0.772 102.8 38.5 -66.6 -26.6 37.6 18.1 13.0 44 46 A T S S- 0 0 91 119,-0.1 118,-0.2 118,-0.1 -1,-0.2 -0.988 84.8-141.4-126.7 122.9 36.8 17.1 9.4 45 47 A G + 0 0 6 116,-2.7 2,-0.3 -2,-0.4 115,-0.2 -0.210 20.9 177.9 -72.4 167.8 39.0 18.2 6.6 46 48 A S - 0 0 39 2,-0.2 112,-0.0 112,-0.0 97,-0.0 -0.915 43.3-101.2-155.1 177.9 37.9 19.3 3.2 47 49 A S S S+ 0 0 56 -2,-0.3 97,-1.1 96,-0.1 98,-0.1 0.287 73.6 128.9 -94.5 12.1 39.3 20.6 -0.1 48 50 A N - 0 0 116 95,-0.2 95,-0.2 1,-0.1 -2,-0.2 -0.344 68.5 -96.4 -65.2 149.0 38.4 24.2 0.6 49 51 A A - 0 0 57 93,-0.1 2,-0.4 94,-0.1 93,-0.2 -0.327 34.5-148.5 -65.6 144.1 41.1 26.9 0.3 50 52 A I E -J 141 0B 8 91,-2.1 91,-2.2 -3,-0.1 2,-0.4 -0.974 7.0-161.9-118.8 130.2 42.9 27.9 3.5 51 53 A T E +J 140 0B 57 -2,-0.4 130,-2.6 89,-0.2 2,-0.3 -0.952 20.6 162.9-114.8 132.0 44.2 31.5 4.0 52 54 A Y E -JK 139 180B 6 87,-2.3 87,-2.2 -2,-0.4 2,-0.3 -0.940 26.7-154.6-142.6 166.0 46.8 32.1 6.6 53 55 A S E +JK 138 179B 60 126,-2.2 126,-2.6 -2,-0.3 2,-0.3 -0.991 24.0 175.2-143.8 134.3 49.4 34.6 7.7 54 56 A A E - K 0 178B 10 83,-2.1 2,-0.5 -2,-0.3 124,-0.2 -0.985 37.3-148.5-146.1 154.5 52.5 33.8 9.9 55 57 A E E + K 0 177B 152 122,-2.2 122,-2.3 -2,-0.3 2,-0.4 -0.995 40.3 175.0-109.1 120.9 55.7 35.0 11.4 56 58 A Y E + K 0 176B 28 -2,-0.5 2,-0.5 120,-0.2 120,-0.2 -0.990 16.0 176.5-141.0 126.0 57.8 31.8 11.3 57 59 A S E + K 0 175B 61 118,-3.1 118,-2.0 -2,-0.4 28,-0.1 -0.947 22.3 137.2-135.3 108.4 61.4 31.4 12.3 58 60 A A > + 0 0 8 -2,-0.5 3,-1.6 116,-0.2 28,-0.3 0.038 13.3 150.0-148.4 37.2 63.0 28.0 12.2 59 61 A S T 3 S+ 0 0 106 1,-0.3 114,-0.3 26,-0.2 3,-0.1 -0.493 81.3 20.2 -71.3 135.6 66.5 28.2 10.7 60 62 A G T 3 S+ 0 0 43 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.680 108.2 106.3 75.3 17.7 68.6 25.4 12.2 61 63 A S S < S- 0 0 0 -3,-1.6 25,-1.8 111,-0.2 2,-1.4 -0.992 74.8-131.2-128.8 133.0 65.5 23.6 13.2 62 64 A A E +C 171 0A 7 109,-0.7 108,-2.0 -2,-0.4 109,-0.6 -0.745 66.2 134.3 -79.5 95.7 64.0 20.5 11.6 63 65 A S E -C 169 0A 0 -2,-1.4 22,-2.1 106,-0.2 2,-0.3 -0.950 44.3-151.2-146.7 158.8 60.5 22.1 11.4 64 66 A Y E -CD 168 84A 8 104,-2.1 104,-2.0 -2,-0.3 2,-0.6 -0.978 13.1-155.2-135.7 144.3 57.5 22.8 9.1 65 67 A L E +CD 167 83A 1 18,-2.5 17,-2.1 -2,-0.3 18,-1.3 -0.993 52.6 152.2-107.7 112.2 54.9 25.5 8.7 66 68 A A E -CD 166 81A 4 100,-2.4 100,-2.9 -2,-0.6 2,-0.5 -0.955 60.7-117.6-147.7 155.9 52.2 23.3 7.0 67 69 A V E -CD 165 80A 1 13,-1.9 13,-2.2 -2,-0.3 2,-0.3 -0.870 52.7-177.2 -87.7 131.6 48.6 22.4 6.3 68 70 A Y E +CD 164 79A 9 96,-2.8 96,-2.8 -2,-0.5 2,-0.3 -0.961 14.6 125.8-137.9 147.1 48.4 19.0 8.0 69 71 A G E -CD 163 78A 0 9,-1.5 9,-2.4 -2,-0.3 2,-0.3 -0.985 37.7-105.6 180.0-173.8 45.7 16.3 8.3 70 72 A W E - D 0 77A 5 92,-1.7 91,-2.6 -2,-0.3 2,-0.4 -0.932 6.3-146.7-138.2 156.2 44.6 12.7 8.0 71 73 A V E > -CD 160 76A 0 5,-2.4 5,-1.7 -2,-0.3 89,-0.2 -0.974 16.8-145.6-120.1 134.3 42.5 10.4 5.8 72 74 A N T 5S+ 0 0 54 87,-2.8 3,-0.2 -2,-0.4 -1,-0.1 0.957 77.6 43.5 -67.0 -54.8 40.8 7.5 7.7 73 75 A Y T 5S+ 0 0 182 86,-0.4 -1,-0.3 1,-0.4 85,-0.1 -0.993 119.2 25.9-144.2 132.7 41.0 4.9 4.9 74 76 A P T 5S- 0 0 63 0, 0.0 -1,-0.4 0, 0.0 82,-0.4 0.684 111.0-125.7 -58.7 135.3 43.3 4.3 3.1 75 77 A Q T 5 + 0 0 28 -3,-0.2 51,-2.0 49,-0.2 2,-0.4 -0.424 43.6 164.3 -65.6 120.7 45.1 5.8 6.1 76 78 A A E < -De 71 126A 3 -5,-1.7 -5,-2.4 -2,-0.3 2,-0.4 -1.000 32.7-153.3-143.1 138.4 47.2 8.6 5.2 77 79 A E E -De 70 127A 17 49,-2.4 51,-1.7 -2,-0.4 2,-0.3 -0.908 29.0-168.2-100.0 134.9 49.0 11.5 6.9 78 80 A Y E -De 69 128A 0 -9,-2.4 -9,-1.5 -2,-0.4 2,-0.4 -0.958 14.6-169.9-135.6 150.5 49.5 14.5 4.6 79 81 A Y E -De 68 129A 9 49,-2.2 51,-1.6 -2,-0.3 2,-0.6 -0.996 15.6-166.0-135.0 139.9 51.4 17.8 4.5 80 82 A I E -De 67 130A 0 -13,-2.2 -13,-1.9 -2,-0.4 2,-0.7 -0.930 28.6-154.7-120.0 98.8 51.3 20.9 2.3 81 83 A V E +De 66 131A 0 49,-2.6 51,-2.7 -2,-0.6 -15,-0.2 -0.684 23.6 173.5 -85.0 112.4 54.6 22.5 3.5 82 84 A E E S- 0 0 3 -17,-2.1 54,-1.6 -2,-0.7 2,-0.3 0.808 72.9 -3.9 -84.7 -36.5 54.6 26.3 2.9 83 85 A D E +D 65 0A 29 -18,-1.3 -18,-2.5 52,-0.2 -1,-0.3 -0.950 69.6 175.3-151.9 160.4 57.9 26.9 4.7 84 86 A Y E -D 64 0A 60 -2,-0.3 -20,-0.2 -20,-0.2 -26,-0.2 -0.969 23.6-123.2-160.6 173.3 60.4 24.8 6.6 85 87 A G S S- 0 0 17 -22,-2.1 -23,-0.2 -2,-0.3 -26,-0.2 0.499 74.1 -31.2 -93.9-121.1 63.8 24.7 8.4 86 88 A D S S+ 0 0 109 -25,-1.8 2,-0.5 -28,-0.3 -24,-0.2 0.611 113.8 72.9 -76.6 -19.9 66.8 22.4 7.7 87 89 A Y - 0 0 88 -26,-0.4 -2,-0.2 -24,-0.2 -24,-0.1 -0.902 53.3-167.6-115.5 127.1 64.9 19.3 6.5 88 90 A N > - 0 0 26 -2,-0.5 3,-1.3 1,-0.1 4,-0.5 -0.938 12.6-155.3-106.6 114.7 63.1 18.7 3.2 89 91 A P G >> S+ 0 0 5 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.824 90.6 60.3 -61.9 -30.0 61.0 15.5 3.5 90 92 A a G 34 S+ 0 0 14 1,-0.2 20,-0.1 2,-0.2 18,-0.1 0.714 86.4 74.5 -74.6 -16.2 61.1 14.9 -0.3 91 93 A S G <4 S+ 0 0 90 -3,-1.3 -1,-0.2 1,-0.2 4,-0.1 0.838 112.2 27.5 -59.9 -34.7 64.9 14.7 -0.4 92 94 A S T <4 S+ 0 0 87 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.632 111.0 80.2 -99.8 -21.2 64.5 11.2 1.2 93 95 A A S < S- 0 0 16 -4,-1.1 2,-0.5 1,-0.1 18,-0.2 -0.321 90.3 -80.8 -93.3 172.8 61.1 10.1 -0.0 94 96 A T E -F 110 0A 91 16,-1.9 16,-2.0 -2,-0.1 -1,-0.1 -0.592 50.5-126.0 -71.7 115.7 59.7 8.6 -3.2 95 97 A S E +F 109 0A 93 -2,-0.5 14,-0.3 14,-0.2 3,-0.1 -0.376 30.1 177.0 -68.9 142.4 59.1 11.3 -5.8 96 98 A L E - 0 0 33 12,-2.8 2,-0.4 1,-0.4 13,-0.2 0.470 49.1 -96.6-120.4 -18.2 55.7 11.6 -7.3 97 99 A G E -F 108 0A 28 11,-1.2 11,-2.3 2,-0.0 -1,-0.4 -0.981 44.6 -63.5 136.8-150.6 56.1 14.7 -9.5 98 100 A T E -F 107 0A 77 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.969 32.5-163.7-143.4 142.1 55.4 18.4 -9.2 99 101 A V E -F 106 0A 17 7,-1.7 7,-2.3 -2,-0.3 2,-0.5 -0.946 13.0-143.4-125.4 148.1 52.2 20.3 -8.8 100 102 A Y E +F 105 0A 152 -2,-0.3 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