==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-SEP-05 2B45 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.SANSEN,M.DEWILDE,C.J.DE RANTER,J.F.SORENSEN,O.SIBBESEN, . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 48.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 17 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 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 1 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 . 0 0 0 1 0 2 2 3 1 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 . 0 0 0 1 0 0 1 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 1 X A 0 0 113 0, 0.0 184,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.5 -26.5 32.6 7.2 2 2 X S - 0 0 95 1,-0.1 183,-0.1 183,-0.1 39,-0.0 0.127 360.0 -77.4 -69.0 167.8 -26.3 32.7 3.4 3 3 X T + 0 0 25 181,-0.4 39,-0.2 1,-0.1 -1,-0.1 -0.266 39.4 172.9 -68.0 145.7 -23.3 33.7 1.2 4 4 X D + 0 0 99 37,-2.0 2,-0.4 1,-0.1 38,-0.2 0.258 55.7 73.5-128.4 9.1 -22.3 37.4 0.8 5 5 X Y E -A 41 0A 66 36,-1.9 36,-2.0 162,-0.1 2,-0.4 -0.986 53.9-159.9-138.8 137.9 -19.1 37.2 -1.1 6 6 X W E -A 40 0A 73 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.976 9.8-163.4-122.2 126.1 -18.0 36.3 -4.7 7 7 X Q E +A 39 0A 16 32,-2.8 32,-1.9 -2,-0.4 2,-0.2 -0.938 21.4 155.7-114.0 128.5 -14.5 35.3 -5.5 8 8 X N E +A 38 0A 81 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.682 14.3 157.4-156.0 86.0 -13.1 35.3 -9.0 9 9 X W E +A 37 0A 108 28,-2.6 28,-2.2 -2,-0.2 2,-0.3 -0.976 10.3 174.0-119.6 129.8 -9.3 35.6 -9.2 10 10 X T E +A 36 0A 77 -2,-0.4 2,-0.3 26,-0.2 26,-0.2 -0.946 3.4 170.0-133.9 159.8 -7.2 34.6 -12.1 11 11 X F E +A 35 0A 122 24,-1.9 24,-2.0 -2,-0.3 23,-0.3 -0.963 52.6 26.5-162.0 140.2 -3.5 34.8 -13.0 12 12 X G S S- 0 0 62 -2,-0.3 2,-0.2 22,-0.2 24,-0.1 0.332 100.2 -62.5 96.0 -4.2 -1.1 33.5 -15.6 13 13 X G S S+ 0 0 47 22,-0.2 21,-1.5 1,-0.1 -2,-0.2 -0.681 78.7 76.7 127.4-178.5 -3.2 32.7 -18.7 14 14 X G S S- 0 0 52 19,-0.3 2,-0.4 -2,-0.2 18,-0.2 -0.153 78.8 -58.4 66.1-163.5 -5.9 30.7 -20.4 15 15 X I E -H 31 0B 84 16,-2.3 16,-2.3 19,-0.1 2,-0.4 -0.952 37.9-177.6-121.0 133.5 -9.7 31.2 -20.0 16 16 X V E -H 30 0B 30 -2,-0.4 2,-0.9 14,-0.2 14,-0.2 -0.920 6.8-170.2-129.5 104.9 -11.7 31.1 -16.9 17 17 X N E +H 29 0B 99 12,-3.2 12,-1.9 -2,-0.4 2,-0.4 -0.845 14.7 178.0 -95.9 99.1 -15.4 31.6 -17.6 18 18 X A E -H 28 0B 25 -2,-0.9 2,-0.5 10,-0.2 10,-0.2 -0.899 12.8-161.0-109.1 133.3 -17.0 32.1 -14.1 19 19 X V E -H 27 0B 82 8,-2.7 8,-1.7 -2,-0.4 2,-1.0 -0.954 14.0-145.3-117.6 124.6 -20.7 32.8 -13.6 20 20 X N E -H 26 0B 89 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.807 36.3-170.1 -85.5 101.1 -22.2 34.3 -10.5 21 21 X G - 0 0 23 4,-1.6 2,-0.2 -2,-1.0 5,-0.1 0.070 28.7 -59.5 -87.2-168.9 -25.5 32.4 -10.4 22 22 X S S > S- 0 0 110 2,-0.1 3,-1.9 4,-0.0 -1,-0.2 -0.537 100.5 -21.2 -76.7 141.8 -28.7 32.7 -8.3 23 23 X G T 3 S- 0 0 65 1,-0.3 162,-0.1 -2,-0.2 -2,-0.0 -0.388 134.0 -18.6 64.7-137.1 -28.4 32.3 -4.5 24 24 X G T 3 S+ 0 0 12 -2,-0.1 160,-1.8 16,-0.1 -1,-0.3 0.306 110.4 119.3 -83.7 11.3 -25.3 30.4 -3.5 25 25 X N E < + I 0 183B 42 -3,-1.9 -4,-1.6 158,-0.3 2,-0.3 -0.546 30.2 156.8 -87.4 140.9 -24.9 29.0 -7.1 26 26 X Y E -HI 20 182B 0 156,-2.6 156,-2.4 -2,-0.2 2,-0.3 -0.982 20.9-151.9-149.1 161.2 -22.0 29.5 -9.4 27 27 X S E -HI 19 181B 19 -8,-1.7 -8,-2.7 -2,-0.3 2,-0.4 -0.968 4.4-164.0-131.9 150.6 -20.4 27.8 -12.4 28 28 X V E +HI 18 180B 0 152,-2.4 152,-2.5 -2,-0.3 2,-0.4 -1.000 8.7 177.7-131.8 135.8 -16.9 27.6 -13.8 29 29 X N E +HI 17 179B 74 -12,-1.9 -12,-3.2 -2,-0.4 2,-0.3 -0.989 20.6 173.1-130.8 127.6 -15.7 26.5 -17.2 30 30 X W E -HI 16 178B 9 148,-2.6 148,-2.6 -2,-0.4 2,-0.3 -0.955 16.9-168.6-140.4 151.6 -11.9 26.8 -17.8 31 31 X S E -H 15 0B 37 -16,-2.3 -16,-2.3 -2,-0.3 146,-0.2 -0.988 67.5 -15.5-145.8 136.0 -9.2 26.0 -20.3 32 32 X N S S+ 0 0 131 -2,-0.3 145,-0.2 -18,-0.2 -16,-0.1 0.809 88.9 177.2 51.2 43.0 -5.4 26.0 -20.4 33 33 X T - 0 0 8 143,-2.3 -19,-0.3 -19,-0.1 -1,-0.1 -0.086 38.2-146.1 -77.1 168.2 -5.2 28.2 -17.3 34 34 X G S S- 0 0 6 -21,-1.5 141,-2.5 -23,-0.3 2,-0.4 0.420 70.8 -40.6 -83.5-123.7 -2.6 29.6 -15.1 35 35 X N E +AB 11 174A 38 -24,-2.0 -24,-1.9 139,-0.2 2,-0.3 -0.873 68.0 163.3-108.9 143.3 -3.9 29.8 -11.5 36 36 X F E -AB 10 173A 1 137,-1.8 137,-1.9 -2,-0.4 2,-0.4 -0.991 23.7-161.9-153.6 153.2 -7.4 30.7 -10.4 37 37 X V E +AB 9 172A 6 -28,-2.2 -28,-2.6 -2,-0.3 2,-0.4 -0.972 17.1 172.8-135.2 125.6 -9.8 30.5 -7.5 38 38 X V E +AB 8 171A 0 133,-2.3 133,-3.0 -2,-0.4 2,-0.3 -0.990 20.7 115.7-128.7 135.0 -13.5 31.0 -8.0 39 39 X G E -AB 7 170A 0 -32,-1.9 -32,-2.8 -2,-0.4 2,-0.3 -0.988 50.0-108.1-177.9 177.8 -16.2 30.5 -5.4 40 40 X K E +AB 6 169A 8 129,-1.1 129,-2.5 -2,-0.3 2,-0.3 -0.924 53.8 104.1-122.3 148.5 -19.0 31.9 -3.1 41 41 X G E -AB 5 168A 0 -36,-2.0 -37,-2.0 -2,-0.3 -36,-1.9 -0.850 61.9 -34.0 179.3-134.3 -18.8 32.3 0.6 42 42 X W E - B 0 167A 3 125,-2.6 125,-2.1 -2,-0.3 3,-0.1 -0.931 27.5-139.5-128.7 137.7 -18.4 35.0 3.2 43 43 X T S S+ 0 0 75 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.873 102.5 41.9 -56.7 -42.2 -16.6 38.2 3.5 44 44 X T S S- 0 0 89 122,-0.1 -1,-0.2 123,-0.1 122,-0.2 -0.943 84.4-147.3-113.1 112.9 -15.7 37.3 7.1 45 45 X G - 0 0 3 120,-2.6 119,-0.1 -2,-0.6 121,-0.1 -0.239 11.1-157.0 -68.0 157.1 -14.7 33.8 7.8 46 46 X S > - 0 0 32 1,-0.0 3,-0.9 3,-0.0 100,-0.1 -0.998 23.9-141.9-137.5 142.1 -15.5 32.1 11.1 47 47 X P T 3 S+ 0 0 25 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.541 107.0 54.4 -74.6 -5.0 -13.9 29.1 12.9 48 48 X F T 3 S+ 0 0 164 98,-0.1 2,-0.2 99,-0.1 99,-0.0 0.358 82.2 116.9-106.7 -1.7 -17.5 28.2 13.9 49 49 X R < - 0 0 53 -3,-0.9 97,-1.3 96,-0.1 2,-0.7 -0.446 52.8-151.1 -76.5 136.5 -19.1 28.1 10.4 50 50 X T E -J 145 0B 59 95,-0.2 2,-0.5 -2,-0.2 95,-0.2 -0.965 18.7-150.3 -99.8 113.3 -20.6 25.0 8.9 51 51 X I E -J 144 0B 0 93,-2.2 93,-2.4 -2,-0.7 2,-0.4 -0.778 9.6-162.0 -85.6 125.4 -20.2 25.4 5.2 52 52 X N E +J 143 0B 39 133,-3.0 133,-2.6 -2,-0.5 2,-0.3 -0.891 19.7 156.9-104.3 138.3 -22.9 23.6 3.2 53 53 X Y E -JK 142 184B 3 89,-2.2 89,-2.8 -2,-0.4 2,-0.3 -0.992 30.2-157.2-153.3 164.1 -22.4 22.9 -0.6 54 54 X N E - K 0 183B 29 129,-1.9 129,-1.8 -2,-0.3 2,-1.1 -0.918 11.0-156.2-141.6 112.8 -23.5 20.7 -3.4 55 55 X A E + K 0 182B 1 85,-0.4 84,-0.6 -2,-0.3 127,-0.3 -0.793 13.6 178.4 -88.2 96.1 -21.2 20.3 -6.4 56 56 X G E S+ 0 0 53 -2,-1.1 2,-0.4 125,-0.9 -1,-0.2 0.789 77.0 30.8 -65.4 -32.5 -23.6 19.3 -9.1 57 57 X V E + K 0 181B 61 124,-1.9 124,-2.2 -3,-0.1 2,-0.3 -0.994 59.9 167.4-129.4 121.3 -20.7 19.2 -11.6 58 58 X W E + K 0 180B 36 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.835 21.8 145.7-127.5 98.3 -17.2 18.3 -10.6 59 59 X A E + K 0 179B 47 120,-2.5 120,-1.2 -2,-0.3 2,-0.1 -0.413 14.4 168.9-137.3 59.6 -15.3 17.8 -13.9 60 60 X P E - K 0 178B 29 0, 0.0 2,-0.4 0, 0.0 118,-0.3 -0.444 21.9-156.8 -71.4 144.7 -11.7 18.9 -13.7 61 61 X N E S- K 0 177B 125 116,-3.2 116,-1.6 -2,-0.1 2,-0.4 -0.821 76.6 -17.1-120.6 85.6 -9.5 17.8 -16.7 62 62 X G S S+ 0 0 16 -2,-0.4 25,-1.2 114,-0.2 2,-0.8 -0.909 125.7 3.1 109.4-147.3 -6.1 17.9 -15.0 63 63 X N S S+ 0 0 21 111,-0.4 111,-2.3 -2,-0.4 2,-0.3 -0.682 73.8 131.6 -91.6 106.0 -5.4 19.8 -11.8 64 64 X G E -C 173 0A 0 -2,-0.8 22,-0.8 109,-0.2 2,-0.4 -0.975 37.0-144.7-141.8 154.7 -8.3 21.4 -10.0 65 65 X Y E -CD 172 85A 17 107,-2.5 107,-2.3 -2,-0.3 2,-0.6 -0.934 8.3-152.9-119.6 141.1 -9.5 21.3 -6.3 66 66 X L E +CD 171 84A 0 18,-2.5 17,-2.5 -2,-0.4 18,-1.7 -0.968 51.6 143.4-107.9 108.8 -13.0 21.4 -4.9 67 67 X T E -CD 170 82A 0 103,-2.2 103,-3.3 -2,-0.6 2,-0.3 -0.993 62.4-108.4-155.4 141.3 -12.1 23.0 -1.6 68 68 X L E -CD 169 81A 0 13,-2.4 13,-1.6 -2,-0.3 2,-0.3 -0.619 47.0-172.7 -62.4 139.1 -13.0 25.3 1.3 69 69 X Y E +CD 168 80A 15 99,-2.5 99,-3.0 -2,-0.3 2,-0.3 -0.993 15.6 132.8-143.3 133.3 -10.6 28.2 0.8 70 70 X G E -CD 167 79A 0 9,-1.8 9,-2.8 -2,-0.3 2,-0.3 -0.989 32.2-129.8-170.3 174.4 -9.9 31.1 3.1 71 71 X W E - 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