==== 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 2B46 . 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) . 7964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 75.7 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 . 20 10.8 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 0 114 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.3 -26.3 33.1 7.0 2 2 X S - 0 0 91 183,-0.1 183,-0.1 1,-0.1 2,-0.1 -0.361 360.0 -66.7 -84.8 174.7 -26.2 32.7 3.2 3 3 X T + 0 0 26 181,-0.4 39,-0.2 1,-0.1 -1,-0.1 -0.336 43.4 169.0 -77.6 145.2 -23.3 33.9 1.0 4 4 X D + 0 0 100 37,-1.8 2,-0.4 -3,-0.1 38,-0.2 0.171 56.5 77.3-130.1 9.1 -22.2 37.5 0.6 5 5 X Y E -A 41 0A 65 36,-1.9 36,-2.0 162,-0.1 2,-0.5 -0.984 52.5-162.2-134.7 140.2 -18.9 37.1 -1.1 6 6 X W E -A 40 0A 70 -2,-0.4 2,-0.4 34,-0.2 34,-0.2 -0.975 8.6-164.3-121.2 118.4 -17.6 36.3 -4.6 7 7 X Q E +A 39 0A 14 32,-3.1 32,-2.2 -2,-0.5 2,-0.1 -0.870 20.6 156.7-101.2 131.5 -14.1 35.2 -5.2 8 8 X N E +A 38 0A 79 -2,-0.4 2,-0.5 30,-0.2 30,-0.2 -0.586 11.1 157.1-159.6 82.2 -12.8 35.3 -8.7 9 9 X W E +A 37 0A 93 28,-2.4 28,-2.4 -2,-0.1 2,-0.3 -0.955 9.9 173.1-116.4 129.8 -9.0 35.5 -8.9 10 10 X T E +A 36 0A 75 -2,-0.5 2,-0.3 26,-0.2 26,-0.2 -0.958 3.2 167.3-130.8 157.7 -6.9 34.5 -11.9 11 11 X F E +A 35 0A 132 24,-2.1 24,-1.8 -2,-0.3 23,-0.4 -0.961 53.2 32.7-158.7 145.0 -3.3 34.7 -12.9 12 12 X G S S- 0 0 59 -2,-0.3 2,-0.2 22,-0.2 24,-0.1 0.230 99.5 -73.9 99.8 -13.1 -1.0 33.3 -15.5 13 13 X G S S+ 0 0 45 22,-0.2 21,-1.5 1,-0.1 -2,-0.2 -0.633 77.2 81.4 124.3-178.8 -3.1 32.8 -18.6 14 14 X G S S- 0 0 54 19,-0.3 2,-0.4 -2,-0.2 18,-0.2 -0.245 78.1 -52.3 73.0-159.2 -5.8 30.8 -20.3 15 15 X I E +H 31 0B 109 16,-2.2 16,-2.0 19,-0.1 2,-0.3 -0.921 38.2 177.1-126.3 133.9 -9.5 31.1 -19.8 16 16 X V E -H 30 0B 32 -2,-0.4 2,-1.1 14,-0.2 14,-0.2 -0.851 8.9-168.4-136.3 95.8 -11.7 31.0 -16.7 17 17 X N E -H 29 0B 97 12,-3.3 12,-2.0 -2,-0.3 2,-0.5 -0.811 16.7-178.3 -80.7 94.9 -15.5 31.6 -17.4 18 18 X A E -H 28 0B 20 -2,-1.1 2,-0.5 10,-0.2 10,-0.2 -0.897 8.7-162.3 -95.3 126.2 -16.6 32.1 -13.8 19 19 X V E -H 27 0B 62 8,-2.6 8,-1.6 -2,-0.5 2,-1.1 -0.960 11.5-151.3-114.0 120.2 -20.4 32.7 -13.6 20 20 X N E -H 26 0B 86 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.775 35.0-178.2 -85.5 96.4 -21.7 34.3 -10.4 21 21 X G - 0 0 22 4,-1.2 2,-0.2 -2,-1.1 5,-0.0 0.075 28.9 -51.0 -90.0-163.4 -25.2 32.6 -10.4 22 22 X S S > S- 0 0 108 2,-0.1 3,-2.1 4,-0.0 -1,-0.2 -0.448 100.7 -21.1 -75.4 141.5 -28.3 32.8 -8.3 23 23 X G T 3 S- 0 0 66 1,-0.3 162,-0.1 -2,-0.2 160,-0.0 -0.464 132.6 -22.6 67.6-132.5 -28.3 32.3 -4.5 24 24 X G T 3 S+ 0 0 11 -2,-0.2 160,-2.0 16,-0.1 -1,-0.3 0.187 109.7 119.3 -94.8 17.6 -25.1 30.5 -3.6 25 25 X N E < + I 0 183B 41 -3,-2.1 -4,-1.2 158,-0.3 2,-0.3 -0.585 29.3 156.6 -88.8 142.2 -24.6 29.0 -7.0 26 26 X Y E -HI 20 182B 0 156,-2.3 156,-2.4 -2,-0.2 2,-0.3 -0.962 19.9-155.2-148.2 162.7 -21.7 29.5 -9.4 27 27 X S E -HI 19 181B 18 -8,-1.6 -8,-2.6 -2,-0.3 2,-0.3 -0.926 2.4-161.1-131.3 161.1 -20.1 27.7 -12.3 28 28 X V E -HI 18 180B 0 152,-2.4 152,-2.5 -2,-0.3 2,-0.4 -0.986 7.7-177.5-138.7 134.4 -16.6 27.7 -13.8 29 29 X N E +HI 17 179B 72 -12,-2.0 -12,-3.3 -2,-0.3 2,-0.3 -0.995 21.3 173.0-124.5 126.8 -15.4 26.5 -17.2 30 30 X W E -HI 16 178B 6 148,-2.5 148,-2.8 -2,-0.4 2,-0.3 -0.965 16.1-172.1-135.2 147.9 -11.7 26.8 -17.6 31 31 X S E -H 15 0B 42 -16,-2.0 -16,-2.2 -2,-0.3 146,-0.3 -0.971 68.1 -14.4-143.0 132.9 -9.1 25.8 -20.2 32 32 X N S S+ 0 0 126 -2,-0.3 145,-0.2 -18,-0.2 -16,-0.1 0.820 87.2 174.1 55.1 44.6 -5.3 25.9 -20.2 33 33 X T - 0 0 8 143,-2.4 -19,-0.3 -18,-0.2 -1,-0.1 -0.123 38.1-146.5 -74.2 164.5 -5.1 28.1 -17.1 34 34 X G S S- 0 0 8 -21,-1.5 141,-2.3 -23,-0.4 142,-0.4 0.384 73.2 -34.2 -79.8-123.2 -2.3 29.4 -15.0 35 35 X N E +AB 11 174A 36 -24,-1.8 -24,-2.1 139,-0.2 2,-0.3 -0.751 67.3 164.4-100.1 148.8 -3.7 29.7 -11.5 36 36 X F E -AB 10 173A 0 137,-1.8 137,-2.0 -2,-0.3 2,-0.3 -0.984 21.6-165.7-157.0 150.9 -7.2 30.6 -10.4 37 37 X V E +AB 9 172A 2 -28,-2.4 -28,-2.4 -2,-0.3 2,-0.4 -0.929 17.5 172.6-135.0 116.3 -9.5 30.4 -7.4 38 38 X V E +AB 8 171A 0 133,-2.7 133,-3.0 -2,-0.3 2,-0.3 -0.955 18.4 124.6-117.7 142.1 -13.3 31.0 -7.9 39 39 X G E -AB 7 170A 0 -32,-2.2 -32,-3.1 -2,-0.4 2,-0.3 -0.976 46.2-118.2 179.0 166.6 -15.9 30.5 -5.2 40 40 X K E +AB 6 169A 9 129,-1.0 129,-2.6 -2,-0.3 2,-0.3 -0.911 52.9 102.4-118.4 150.3 -18.8 31.9 -3.1 41 41 X G E -AB 5 168A 0 -36,-2.0 -36,-1.9 -2,-0.3 -37,-1.8 -0.820 63.1 -31.8 176.3-131.4 -18.8 32.3 0.6 42 42 X W E - B 0 167A 2 125,-2.7 125,-2.1 -2,-0.3 3,-0.1 -0.935 28.7-137.7-130.7 142.3 -18.5 35.0 3.2 43 43 X T S S+ 0 0 71 -2,-0.4 2,-0.6 123,-0.2 -1,-0.1 0.833 102.6 41.7 -58.7 -36.5 -16.6 38.2 3.5 44 44 X T S S- 0 0 90 123,-0.1 -1,-0.2 122,-0.1 122,-0.2 -0.957 82.9-148.8-121.5 111.8 -15.7 37.3 7.1 45 45 X G - 0 0 4 120,-2.5 119,-0.1 -2,-0.6 121,-0.0 -0.360 11.3-158.1 -69.5 158.0 -14.7 33.8 7.8 46 46 X S > - 0 0 31 -2,-0.1 3,-0.7 1,-0.1 100,-0.1 -0.988 24.0-139.2-135.1 145.7 -15.5 32.2 11.1 47 47 X P T 3 S+ 0 0 28 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.647 107.7 52.7 -72.0 -14.1 -13.9 29.2 12.9 48 48 X F T 3 S+ 0 0 168 98,-0.1 2,-0.2 99,-0.1 100,-0.0 0.392 83.1 118.5-101.9 -1.7 -17.5 28.2 13.9 49 49 X R < - 0 0 49 -3,-0.7 97,-1.2 96,-0.1 2,-0.6 -0.448 52.5-150.8 -72.2 136.2 -19.1 28.2 10.4 50 50 X T E -J 145 0B 57 95,-0.2 2,-0.5 -2,-0.2 95,-0.2 -0.960 17.2-151.2-100.1 114.6 -20.5 25.1 8.9 51 51 X I E -J 144 0B 0 93,-2.2 93,-2.6 -2,-0.6 2,-0.4 -0.796 9.1-162.6 -89.0 125.3 -20.1 25.5 5.1 52 52 X N E +J 143 0B 36 133,-3.2 133,-2.6 -2,-0.5 2,-0.3 -0.850 19.1 158.6-104.1 140.6 -22.8 23.7 3.1 53 53 X Y E -JK 142 184B 2 89,-2.3 89,-3.1 -2,-0.4 2,-0.3 -0.990 30.2-157.4-153.5 161.8 -22.3 23.0 -0.6 54 54 X N E - K 0 183B 29 129,-1.8 129,-2.2 -2,-0.3 2,-1.1 -0.907 10.8-156.8-140.5 113.3 -23.3 20.8 -3.4 55 55 X A E + K 0 182B 0 85,-0.4 84,-0.7 -2,-0.3 127,-0.3 -0.814 13.6 178.8 -85.8 93.2 -21.0 20.4 -6.4 56 56 X G E S+ 0 0 52 -2,-1.1 2,-0.4 125,-1.1 -1,-0.2 0.781 76.5 29.8 -65.0 -31.8 -23.4 19.4 -9.1 57 57 X V E + K 0 181B 66 124,-1.8 124,-2.4 -3,-0.1 2,-0.4 -0.987 60.9 168.7-130.3 119.9 -20.5 19.3 -11.6 58 58 X W E + K 0 180B 36 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.845 20.7 148.6-124.2 97.3 -17.0 18.4 -10.5 59 59 X A E + K 0 179B 45 120,-2.7 120,-1.5 -2,-0.4 2,-0.2 -0.478 13.9 171.2-136.5 62.4 -15.1 17.9 -13.8 60 60 X P E - K 0 178B 30 0, 0.0 2,-0.5 0, 0.0 118,-0.3 -0.462 20.7-158.5 -68.7 140.4 -11.5 18.8 -13.6 61 61 X N E S- K 0 177B 117 116,-3.3 116,-1.8 -2,-0.2 2,-0.4 -0.814 77.7 -19.9-119.3 86.3 -9.4 17.8 -16.7 62 62 X G S S+ 0 0 18 -2,-0.5 25,-0.9 114,-0.2 2,-0.9 -0.898 125.8 5.1 106.6-145.9 -6.0 17.9 -14.9 63 63 X N S S+ 0 0 22 111,-0.5 111,-2.2 112,-0.4 2,-0.3 -0.668 72.9 135.1 -89.9 101.8 -5.3 19.7 -11.6 64 64 X G E -C 173 0A 0 -2,-0.9 22,-0.9 109,-0.2 2,-0.4 -0.980 35.6-144.9-136.0 153.8 -8.2 21.3 -9.9 65 65 X Y E -CD 172 85A 15 107,-2.1 107,-2.4 -2,-0.3 2,-0.6 -0.939 8.0-155.4-115.8 140.5 -9.4 21.4 -6.2 66 66 X L E +CD 171 84A 0 18,-2.3 17,-2.7 -2,-0.4 18,-1.7 -0.972 49.5 145.0-105.8 108.0 -12.8 21.4 -4.8 67 67 X T E -CD 170 82A 0 103,-2.4 103,-3.5 -2,-0.6 15,-0.3 -0.998 61.5-111.3-155.3 139.5 -12.1 23.1 -1.5 68 68 X L E -CD 169 81A 0 13,-2.3 13,-1.5 -2,-0.3 2,-0.3 -0.559 48.1-171.0 -62.6 142.3 -13.0 25.3 1.3 69 69 X Y E +CD 168 80A 12 99,-2.5 99,-3.2 11,-0.2 2,-0.3 -0.989 15.7 135.6-148.5 133.7 -10.6 28.2 0.9 70 70 X G E -CD 167 79A 0 9,-1.7 9,-3.0 -2,-0.3 2,-0.3 -0.989 32.3-128.9-172.7 168.9 -9.9 31.1 3.1 71 71 X W E - 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