==== 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 16-AUG-07 2Z79 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR E.VANDERMARLIERE,T.M.BOURGOIS,S.V.STRELKOV,J.A.DELCOUR,C.M.C . 368 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 47.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 40 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 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 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 6 2 5 2 1 0 0 0 0 0 0 0 1 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 1 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 0 135 0, 0.0 2,-0.1 0, 0.0 183,-0.1 0.000 360.0 360.0 360.0 41.1 -18.9 -9.8 35.4 2 3 A T + 0 0 30 181,-0.3 39,-0.2 1,-0.1 3,-0.1 -0.439 360.0 173.9 -69.8 146.8 -20.0 -8.3 32.1 3 4 A D + 0 0 109 37,-2.2 2,-0.4 -2,-0.1 38,-0.2 0.206 48.7 83.7-141.3 16.8 -22.8 -5.7 32.4 4 5 A Y E -A 40 0A 73 36,-2.1 36,-2.0 162,-0.1 2,-0.5 -0.988 51.1-163.0-129.9 134.1 -23.2 -4.3 28.9 5 6 A W E -A 39 0A 69 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.964 9.7-164.4-112.8 115.7 -25.1 -5.5 25.9 6 7 A Q E +A 38 0A 13 32,-3.1 32,-2.4 -2,-0.5 2,-0.2 -0.892 20.4 156.8-101.8 124.6 -24.1 -4.0 22.6 7 8 A N E +A 37 0A 78 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.664 9.3 154.4-152.6 89.0 -26.6 -4.5 19.8 8 9 A W E +A 36 0A 87 28,-2.6 28,-2.6 -2,-0.2 2,-0.3 -0.968 7.0 164.8-121.7 135.2 -26.5 -2.1 16.9 9 10 A T E -A 35 0A 53 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.989 40.3-134.9-140.5 148.7 -27.6 -2.5 13.3 10 11 A D - 0 0 81 24,-2.2 25,-0.1 -2,-0.3 3,-0.1 0.472 60.3-104.1 -77.1 -0.2 -28.2 -0.1 10.5 11 12 A G S S+ 0 0 56 1,-0.3 2,-0.2 23,-0.3 24,-0.1 0.259 76.2 139.4 97.9 -11.8 -31.3 -2.2 9.8 12 13 A G - 0 0 25 22,-0.3 21,-1.1 2,-0.1 -1,-0.3 -0.471 67.8 -31.6 -68.5 133.3 -30.0 -4.0 6.7 13 14 A G S S- 0 0 50 19,-0.3 2,-0.5 -2,-0.2 18,-0.2 -0.121 102.8 -37.6 58.1-150.6 -30.9 -7.7 6.5 14 15 A I E +H 30 0B 106 16,-2.5 16,-2.5 19,-0.1 2,-0.5 -0.942 45.8 176.7-117.7 125.7 -31.3 -9.9 9.6 15 16 A V E -H 29 0B 26 -2,-0.5 2,-1.2 14,-0.2 14,-0.2 -0.864 10.5-172.0-125.8 92.8 -29.1 -9.6 12.7 16 17 A N E +H 28 0B 91 12,-2.7 12,-2.0 -2,-0.5 2,-0.5 -0.753 11.4 180.0 -92.6 94.5 -30.6 -12.1 15.2 17 18 A A E -H 27 0B 22 -2,-1.2 2,-0.5 10,-0.2 10,-0.2 -0.843 11.9-160.3-102.5 129.9 -28.7 -11.3 18.4 18 19 A V E -H 26 0B 69 8,-2.7 8,-1.7 -2,-0.5 2,-1.1 -0.950 11.4-149.0-114.8 120.1 -29.4 -13.3 21.5 19 20 A N E -H 25 0B 86 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.771 35.3-174.4 -83.3 98.7 -28.4 -12.0 24.9 20 21 A G - 0 0 23 4,-1.4 2,-0.1 -2,-1.1 5,-0.1 0.047 31.3 -49.9 -87.0-165.5 -27.7 -15.3 26.7 21 22 A S S > S- 0 0 111 2,-0.1 3,-2.5 4,-0.0 -1,-0.2 -0.421 99.9 -33.3 -70.4 138.8 -26.8 -16.3 30.2 22 23 A G T 3 S- 0 0 60 1,-0.3 162,-0.1 -2,-0.1 -2,-0.0 -0.260 131.8 -11.4 56.3-125.1 -24.0 -14.5 31.9 23 24 A G T 3 S+ 0 0 13 16,-0.1 160,-1.8 -4,-0.0 2,-0.3 0.297 110.2 111.9 -88.5 8.6 -21.3 -13.4 29.5 24 25 A N E < + I 0 182B 44 -3,-2.5 -4,-1.4 158,-0.2 2,-0.3 -0.618 34.0 156.8 -92.4 139.5 -22.7 -15.5 26.6 25 26 A Y E -HI 19 181B 0 156,-2.6 156,-2.4 -2,-0.3 2,-0.3 -0.972 19.8-154.2-147.1 165.5 -24.3 -14.3 23.4 26 27 A S E -HI 18 180B 19 -8,-1.7 -8,-2.7 -2,-0.3 2,-0.4 -0.967 1.3-162.6-136.9 155.7 -25.0 -15.5 19.9 27 28 A V E -HI 17 179B 0 152,-2.2 152,-2.4 -2,-0.3 2,-0.4 -0.991 7.0-178.9-137.0 130.9 -25.5 -13.8 16.5 28 29 A N E +HI 16 178B 82 -12,-2.0 -12,-2.7 -2,-0.4 2,-0.3 -0.991 22.7 174.2-123.9 119.5 -27.0 -15.3 13.4 29 30 A W E -HI 15 177B 8 148,-2.5 148,-2.5 -2,-0.4 2,-0.3 -0.898 14.8-172.1-130.4 154.9 -27.0 -12.8 10.6 30 31 A S E -H 14 0B 36 -16,-2.5 -16,-2.5 -2,-0.3 146,-0.3 -0.967 64.4 -14.5-152.4 133.9 -27.8 -12.7 6.9 31 32 A N S S+ 0 0 129 -2,-0.3 145,-0.2 -18,-0.2 -16,-0.1 0.860 88.5 174.0 50.2 47.9 -27.5 -10.3 4.0 32 33 A T - 0 0 10 143,-2.3 -19,-0.3 1,-0.2 -1,-0.1 -0.091 39.3-143.0 -79.7 171.0 -26.8 -7.5 6.4 33 34 A G S S- 0 0 9 -21,-1.1 141,-2.2 1,-0.2 142,-0.5 0.254 70.8 -42.1 -87.0-127.8 -25.8 -3.9 6.1 34 35 A N E S+ B 0 173A 32 139,-0.2 -24,-2.2 140,-0.1 2,-0.3 -0.844 70.6 159.0-103.8 143.0 -23.4 -2.9 8.9 35 36 A F E -AB 9 172A 0 137,-2.0 137,-2.1 -2,-0.4 2,-0.3 -0.987 24.7-159.2-156.0 160.2 -23.8 -4.1 12.5 36 37 A V E +AB 8 171A 7 -28,-2.6 -28,-2.6 -2,-0.3 2,-0.4 -0.944 15.8 172.4-145.8 124.4 -21.9 -4.6 15.8 37 38 A V E +AB 7 170A 0 133,-2.6 133,-3.1 -2,-0.3 2,-0.3 -0.985 17.1 126.0-131.2 138.6 -23.1 -6.9 18.6 38 39 A G E -AB 6 169A 0 -32,-2.4 -32,-3.1 -2,-0.4 2,-0.3 -0.992 43.9-113.3-175.1 174.3 -21.2 -7.9 21.8 39 40 A K E +AB 5 168A 7 129,-1.3 129,-2.8 -2,-0.3 2,-0.3 -0.930 52.9 97.4-121.6 147.9 -21.0 -8.3 25.5 40 41 A G E -AB 4 167A 0 -36,-2.0 -37,-2.2 -2,-0.3 -36,-2.1 -0.812 64.1 -22.5 176.8-131.4 -18.7 -6.5 27.9 41 42 A W E - B 0 166A 19 125,-3.0 125,-2.1 -2,-0.3 3,-0.1 -0.870 32.8-138.2-124.8 141.5 -18.5 -3.5 30.2 42 43 A T S S+ 0 0 65 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.844 101.2 38.1 -63.9 -35.8 -20.5 -0.3 30.6 43 44 A T S S- 0 0 90 122,-0.1 122,-0.2 123,-0.1 -1,-0.2 -0.973 85.7-141.2-121.1 117.3 -17.3 1.6 31.3 44 45 A G - 0 0 4 120,-2.9 119,-0.1 -2,-0.5 121,-0.1 -0.299 14.4-157.8 -70.0 159.3 -14.1 0.6 29.4 45 46 A S > - 0 0 30 1,-0.0 3,-0.8 3,-0.0 100,-0.1 -0.999 24.2-144.2-140.4 141.4 -10.7 0.6 31.0 46 47 A P T 3 S+ 0 0 24 0, 0.0 103,-0.2 0, 0.0 104,-0.2 0.487 105.9 53.7 -78.2 -1.9 -7.2 0.8 29.6 47 48 A F T 3 S+ 0 0 169 98,-0.1 2,-0.3 99,-0.1 -3,-0.0 0.289 83.8 114.2-112.7 4.4 -6.2 -1.7 32.4 48 49 A R < - 0 0 63 -3,-0.8 97,-1.2 96,-0.1 2,-0.6 -0.588 52.3-152.9 -83.2 137.7 -8.8 -4.4 31.6 49 50 A T E -J 144 0B 60 -2,-0.3 2,-0.4 95,-0.2 95,-0.2 -0.962 18.3-149.5-105.5 119.5 -7.8 -7.9 30.4 50 51 A I E -J 143 0B 0 93,-2.5 93,-2.8 -2,-0.6 2,-0.4 -0.771 9.2-162.5 -94.8 129.2 -10.7 -9.3 28.4 51 52 A N E +J 142 0B 40 133,-2.9 133,-2.4 -2,-0.4 2,-0.3 -0.877 17.4 161.2-106.4 144.2 -11.3 -13.0 28.4 52 53 A Y E -JK 141 183B 2 89,-2.3 89,-3.1 -2,-0.4 2,-0.4 -0.992 28.1-158.1-154.5 161.0 -13.5 -14.8 25.8 53 54 A N E - K 0 182B 19 129,-2.1 129,-2.2 -2,-0.3 2,-1.0 -0.940 13.6-154.1-139.2 114.6 -14.2 -18.1 24.3 54 55 A A E - K 0 181B 1 85,-0.5 84,-0.5 -2,-0.4 127,-0.3 -0.807 10.4-176.0 -90.1 99.7 -15.8 -18.2 20.8 55 56 A G E S+ 0 0 35 125,-1.0 2,-0.3 -2,-1.0 -1,-0.2 0.800 79.3 17.1 -65.1 -31.5 -17.6 -21.5 20.7 56 57 A V E + K 0 180B 26 124,-1.8 124,-2.6 -3,-0.1 2,-0.3 -0.976 61.5 169.6-139.9 131.1 -18.6 -20.7 17.1 57 58 A W E + K 0 179B 0 -2,-0.3 122,-0.2 122,-0.2 302,-0.2 -0.859 18.7 151.2-137.8 102.3 -17.0 -18.1 14.8 58 59 A A E - K 0 178B 2 120,-2.8 120,-1.5 -2,-0.3 140,-0.2 -0.581 16.6-179.4-138.5 71.3 -18.3 -18.7 11.3 59 60 A P E - K 0 177B 5 0, 0.0 2,-0.5 0, 0.0 118,-0.3 -0.440 16.6-155.8 -70.1 145.5 -18.4 -15.6 9.2 60 61 A N E S- K 0 176B 77 116,-3.2 116,-2.0 -2,-0.1 2,-0.4 -0.870 74.1 -25.5-119.1 90.6 -19.8 -15.9 5.6 61 62 A G S S+ 0 0 15 -2,-0.5 25,-1.5 114,-0.2 2,-0.8 -0.835 124.1 9.0 102.4-144.0 -18.1 -12.9 4.0 62 63 A N S S+ 0 0 34 111,-0.5 111,-2.3 -2,-0.4 2,-0.3 -0.648 78.4 125.8 -87.4 108.7 -17.0 -9.8 5.8 63 64 A G E -C 172 0A 0 -2,-0.8 22,-1.0 109,-0.2 2,-0.4 -0.976 39.0-143.8-156.1 152.3 -17.1 -10.0 9.6 64 65 A Y E -CD 171 84A 13 107,-2.2 107,-2.5 -2,-0.3 2,-0.6 -0.930 10.8-151.9-120.4 144.9 -14.8 -9.4 12.6 65 66 A L E +CD 170 83A 0 18,-2.5 17,-2.3 -2,-0.4 18,-1.7 -0.973 52.2 148.1-106.0 110.4 -14.4 -11.1 15.9 66 67 A T E -CD 169 81A 0 103,-2.5 103,-3.4 -2,-0.6 15,-0.3 -0.997 59.8-109.8-153.3 139.9 -13.0 -8.1 17.8 67 68 A L E -CD 168 80A 0 13,-2.7 13,-1.7 -2,-0.3 2,-0.4 -0.571 48.6-172.5 -62.3 142.3 -12.7 -6.1 20.9 68 69 A Y E +CD 167 79A 12 99,-2.8 99,-3.2 11,-0.2 2,-0.3 -0.991 16.2 128.8-148.8 131.7 -14.7 -3.0 20.3 69 70 A G E -CD 166 78A 0 9,-1.8 9,-2.8 -2,-0.4 2,-0.3 -0.981 33.1-125.7-168.5 178.9 -15.2 0.2 22.2 70 71 A W E - D 0 77A 2 95,-1.6 94,-2.3 -2,-0.3 2,-0.3 -0.967 6.0-164.0-136.3 152.7 -15.3 4.0 22.4 71 72 A T E > -CD 163 76A 0 5,-2.0 5,-1.9 -2,-0.3 2,-0.3 -0.892 12.5-149.1-119.5 162.0 -13.9 6.9 24.2 72 73 A R E 5 +C 162 0A 82 90,-2.9 90,-2.2 -2,-0.3 89,-0.2 -0.824 66.9 70.6-115.6 165.3 -15.1 10.5 24.2 73 74 A S T 5S+ 0 0 84 -2,-0.3 88,-1.7 87,-0.2 -1,-0.2 0.949 128.7 19.4 57.2 59.9 -12.9 13.6 24.6 74 75 A P T 5S- 0 0 79 0, 0.0 2,-0.6 0, 0.0 86,-0.4 0.535 107.6-124.5 -88.6 168.7 -11.9 12.9 21.9 75 76 A L T 5 + 0 0 30 -3,-0.2 50,-0.7 48,-0.1 2,-0.4 -0.608 42.5 164.9 -71.0 113.8 -14.4 10.6 20.2 76 77 A I E < -De 71 125A 4 -5,-1.9 -5,-2.0 -2,-0.6 2,-0.5 -1.000 28.3-154.6-135.7 134.1 -12.5 7.5 19.1 77 78 A E E -De 70 126A 11 48,-1.6 50,-2.2 -2,-0.4 2,-0.3 -0.937 24.8-168.0-103.2 129.9 -13.8 4.1 18.0 78 79 A Y E -De 69 127A 0 -9,-2.8 -9,-1.8 -2,-0.5 2,-0.4 -0.903 11.3-170.0-129.1 154.3 -11.3 1.3 18.6 79 80 A Y E -De 68 128A 8 48,-2.1 50,-1.9 -2,-0.3 2,-0.5 -0.994 19.1-167.7-138.2 139.5 -10.8 -2.3 17.7 80 81 A V E -De 67 129A 0 -13,-1.7 -13,-2.7 -2,-0.4 2,-0.6 -0.901 28.3-159.7-121.0 101.3 -8.6 -5.3 18.6 81 82 A V E +De 66 130A 0 48,-3.1 50,-2.7 -2,-0.5 -15,-0.2 -0.719 23.2 169.1 -90.9 116.3 -9.4 -7.7 15.8 82 83 A D E + 0 0 0 -17,-2.3 53,-3.0 -2,-0.6 2,-0.3 0.771 68.0 3.0 -93.9 -32.8 -8.6 -11.3 16.5 83 84 A S E +D 65 0A 0 -18,-1.7 -18,-2.5 51,-0.2 2,-0.3 -0.953 60.8 178.8-150.3 168.3 -10.3 -13.0 13.6 84 85 A W E -D 64 0A 21 -2,-0.3 -20,-0.2 -20,-0.3 4,-0.1 -0.867 24.0-121.2-157.2-179.5 -12.2 -12.1 10.4 85 86 A G S S- 0 0 10 -22,-1.0 -23,-0.2 2,-0.5 -1,-0.2 0.571 81.7 -23.6-101.0-107.3 -14.0 -13.6 7.4 86 87 A T S S+ 0 0 107 -25,-1.5 2,-0.5 1,-0.1 -24,-0.2 0.650 126.1 55.8 -85.9 -18.3 -13.1 -12.8 3.8 87 88 A Y - 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