==== 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 17-OCT-08 3EXU . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR E.VANDERMARLIERE,A.POLLET,S.V.STRELKOV,J.A.DELCOUR,C.M.COURT . 358 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 49.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 36 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.5 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 1 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 2 0 3 8 5 3 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 . 0 0 0 2 0 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 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 A A 0 0 85 0, 0.0 2,-0.4 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 158.8 -8.4 16.8 31.0 2 2 A S - 0 0 111 183,-0.2 2,-0.2 2,-0.0 183,-0.1 -0.694 360.0-136.3 -77.1 130.2 -7.6 17.0 27.3 3 3 A T - 0 0 21 -2,-0.4 39,-0.2 181,-0.3 3,-0.1 -0.537 16.0-169.7 -71.7 153.9 -5.4 14.2 26.1 4 4 A D + 0 0 66 37,-2.2 194,-2.7 -2,-0.2 2,-0.4 0.153 59.0 68.4-131.6 16.2 -2.7 15.5 23.7 5 5 A Y E -AB 41 197A 11 36,-1.5 36,-2.8 192,-0.2 2,-0.4 -0.990 47.6-176.0-147.9 132.5 -1.3 12.2 22.4 6 6 A W E -AB 40 196A 6 190,-2.7 190,-2.8 -2,-0.4 2,-0.4 -0.993 13.1-173.5-125.3 134.8 -2.4 9.3 20.2 7 7 A Q E +AB 39 195A 1 32,-2.5 32,-2.5 -2,-0.4 2,-0.4 -0.992 13.5 173.6-131.7 131.6 -0.3 6.3 19.6 8 8 A N E +AB 38 194A 7 186,-2.4 186,-2.1 -2,-0.4 2,-0.5 -0.907 4.7 173.9-134.2 112.3 -0.7 3.3 17.3 9 9 A W E -AB 37 193A 45 28,-2.5 28,-2.3 -2,-0.4 2,-0.5 -0.984 8.2-177.5-109.5 121.9 2.2 0.8 17.1 10 10 A T E -AB 36 192A 5 182,-2.8 182,-2.3 -2,-0.5 2,-0.4 -0.983 3.7-169.6-124.9 122.8 1.3 -2.3 15.0 11 11 A F E -AB 35 191A 48 24,-3.4 24,-1.8 -2,-0.5 23,-0.8 -0.902 51.5 -8.9-113.2 137.3 3.8 -5.2 14.6 12 12 A G S S- 0 0 42 178,-2.7 21,-0.1 -2,-0.4 177,-0.0 -0.308 92.9 -48.0 76.3-161.1 3.4 -8.1 12.2 13 13 A G S S+ 0 0 51 19,-0.1 21,-0.8 20,-0.1 22,-0.1 0.350 77.7 81.6 -90.8-144.9 0.4 -8.9 10.0 14 14 A G S S- 0 0 54 19,-0.2 2,-0.5 20,-0.1 18,-0.2 -0.108 84.8 -59.4 71.5-172.2 -3.3 -9.3 10.5 15 15 A I E +P 31 0B 117 16,-2.6 16,-2.7 2,-0.0 2,-0.4 -0.948 46.6 173.6-111.6 125.9 -5.9 -6.5 10.6 16 16 A V E -P 30 0B 8 -2,-0.5 2,-1.1 14,-0.2 14,-0.2 -0.867 7.7-173.6-131.9 95.1 -5.6 -3.7 13.2 17 17 A N E +P 29 0B 88 12,-3.3 12,-2.3 -2,-0.4 2,-0.4 -0.764 13.2 176.9 -94.1 89.4 -8.3 -1.1 12.5 18 18 A A E -P 28 0B 17 -2,-1.1 2,-0.5 10,-0.2 10,-0.2 -0.772 12.5-158.4 -99.5 138.9 -7.4 1.6 15.0 19 19 A V E -P 27 0B 60 8,-3.2 8,-1.7 -2,-0.4 2,-1.0 -0.973 13.3-150.6-125.5 120.6 -9.4 4.9 15.1 20 20 A N E -P 26 0B 47 -2,-0.5 6,-0.2 182,-0.2 182,-0.2 -0.822 35.0-167.6 -84.4 102.2 -8.2 8.2 16.6 21 21 A G - 0 0 20 4,-1.7 2,-0.1 -2,-1.0 5,-0.0 -0.150 27.6 -68.9 -87.6-176.9 -11.6 9.7 17.5 22 22 A S S > S- 0 0 111 2,-0.1 3,-1.9 179,-0.0 -1,-0.2 -0.464 99.5 -16.6 -76.1 147.3 -12.7 13.1 18.6 23 23 A G T 3 S- 0 0 63 1,-0.2 162,-0.0 -2,-0.1 -21,-0.0 -0.404 134.3 -21.4 59.1-126.6 -11.5 14.4 22.0 24 24 A G T 3 S+ 0 0 11 -2,-0.1 160,-2.2 16,-0.1 2,-0.3 0.238 108.2 117.3 -98.4 11.7 -10.3 11.5 24.2 25 25 A N E < + Q 0 183B 41 -3,-1.9 -4,-1.7 158,-0.3 2,-0.3 -0.579 31.2 157.3 -84.6 140.7 -12.2 8.8 22.2 26 26 A Y E -PQ 20 182B 0 156,-2.6 156,-2.3 -2,-0.3 2,-0.3 -0.981 16.8-162.6-148.3 163.6 -10.6 6.0 20.3 27 27 A S E -PQ 19 181B 18 -8,-1.7 -8,-3.2 -2,-0.3 2,-0.3 -0.966 2.2-164.6-139.0 161.9 -11.5 2.5 19.0 28 28 A V E -PQ 18 180B 0 152,-2.1 152,-2.3 -2,-0.3 2,-0.4 -0.949 4.4-175.9-143.9 129.2 -9.8 -0.6 17.7 29 29 A N E +PQ 17 179B 80 -12,-2.3 -12,-3.3 -2,-0.3 2,-0.3 -0.998 23.7 172.3-116.9 126.9 -11.1 -3.6 15.8 30 30 A W E -PQ 16 178B 10 148,-2.8 148,-2.6 -2,-0.4 2,-0.3 -0.933 21.4-175.1-135.1 154.4 -8.6 -6.3 15.2 31 31 A S E S-PQ 15 177B 47 -16,-2.7 -16,-2.6 -2,-0.3 146,-0.3 -0.920 73.1 -8.2-149.7 130.9 -8.1 -9.9 13.9 32 32 A N S S+ 0 0 122 144,-0.6 145,-0.2 -2,-0.3 -19,-0.1 0.811 82.7 177.2 59.7 36.3 -5.1 -12.2 13.9 33 33 A T - 0 0 4 143,-1.7 142,-0.3 -18,-0.2 -19,-0.2 -0.206 33.4-148.1 -59.9 151.8 -2.7 -9.5 15.0 34 34 A G S S- 0 0 25 -21,-0.8 141,-2.6 -23,-0.8 2,-0.3 0.821 75.5 -41.9 -72.9 -88.6 0.9 -10.0 15.7 35 35 A N E +AC 11 174A 33 -24,-1.8 -24,-3.4 139,-0.2 2,-0.3 -0.991 66.3 174.8-141.4 142.1 1.2 -7.4 18.5 36 36 A F E -AC 10 173A 0 137,-1.9 137,-1.8 -2,-0.3 2,-0.4 -0.991 17.2-163.3-145.4 151.7 -0.2 -3.9 18.7 37 37 A V E +AC 9 172A 7 -28,-2.3 -28,-2.5 -2,-0.3 2,-0.4 -0.966 17.7 174.1-132.5 116.0 -0.4 -1.1 21.3 38 38 A V E +AC 8 171A 0 133,-2.9 133,-3.2 -2,-0.4 2,-0.3 -0.979 13.3 147.4-122.2 135.8 -3.0 1.6 20.7 39 39 A G E -AC 7 170A 0 -32,-2.5 -32,-2.5 -2,-0.4 2,-0.4 -0.985 38.2-138.0-166.9 154.6 -3.8 4.4 23.1 40 40 A K E +AC 6 169A 7 129,-1.4 129,-2.7 -2,-0.3 -34,-0.2 -0.936 53.3 92.8-112.6 139.6 -4.8 7.9 23.9 41 41 A G E -AC 5 168A 0 -36,-2.8 -37,-2.2 -2,-0.4 -36,-1.5 -0.748 66.4 -30.3-178.5-129.0 -3.1 10.0 26.6 42 42 A W E - C 0 167A 13 125,-2.9 125,-2.4 -2,-0.2 3,-0.1 -0.935 30.7-138.0-132.1 142.2 -0.3 12.5 27.3 43 43 A T S S+ 0 0 48 -2,-0.3 2,-0.6 123,-0.2 -1,-0.1 0.818 100.4 43.7 -67.4 -33.0 3.1 13.1 25.7 44 44 A T S S- 0 0 95 122,-0.1 122,-0.2 123,-0.1 -1,-0.2 -0.957 83.6-150.2-119.4 111.1 4.7 13.6 29.1 45 45 A G - 0 0 5 120,-3.3 119,-0.2 -2,-0.6 121,-0.1 -0.340 9.1-160.6 -75.8 163.2 3.7 11.1 31.7 46 46 A S > - 0 0 33 -2,-0.1 3,-1.1 1,-0.0 100,-0.1 -0.993 26.3-136.0-146.0 140.4 3.6 11.9 35.4 47 47 A P T 3 S+ 0 0 24 0, 0.0 103,-0.3 0, 0.0 104,-0.2 0.540 108.3 53.5 -71.2 -5.1 3.6 9.7 38.5 48 48 A F T 3 S+ 0 0 158 98,-0.1 99,-0.1 99,-0.1 100,-0.1 0.347 79.3 128.0-110.2 1.2 0.8 11.9 39.9 49 49 A R < - 0 0 58 -3,-1.1 97,-1.4 96,-0.1 2,-0.6 -0.307 48.6-148.2 -66.8 140.6 -1.6 11.8 37.0 50 50 A T E -R 145 0B 71 95,-0.2 2,-0.6 96,-0.1 95,-0.2 -0.955 17.8-158.8-104.3 115.0 -5.3 10.8 37.6 51 51 A I E -R 144 0B 0 93,-2.5 93,-2.8 -2,-0.6 2,-0.4 -0.833 6.8-168.4 -99.3 122.0 -6.5 9.0 34.5 52 52 A N E +R 143 0B 41 133,-2.9 133,-3.3 -2,-0.6 2,-0.3 -0.903 16.5 159.5-107.1 137.4 -10.2 8.9 33.8 53 53 A Y E -RS 142 184B 2 89,-2.6 89,-3.5 -2,-0.4 2,-0.4 -0.985 29.9-154.5-149.3 163.6 -11.7 6.6 31.2 54 54 A N E - S 0 183B 38 129,-2.1 129,-2.2 -2,-0.3 2,-1.2 -0.940 11.2-154.8-140.1 114.8 -14.9 4.8 30.1 55 55 A A E - S 0 182B 1 85,-0.4 84,-0.4 -2,-0.4 127,-0.3 -0.776 12.8-179.8 -89.9 92.9 -14.6 1.7 28.0 56 56 A G E S+ 0 0 54 -2,-1.2 2,-0.4 125,-0.8 -1,-0.2 0.813 78.1 25.0 -59.3 -33.7 -17.9 1.7 26.1 57 57 A V E + S 0 181B 62 124,-1.8 124,-2.5 -3,-0.1 2,-0.4 -0.984 60.1 169.6-134.3 123.1 -16.8 -1.6 24.5 58 58 A W E + S 0 180B 36 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.857 21.8 147.2-127.9 99.9 -14.4 -4.1 25.9 59 59 A A E + S 0 179B 37 120,-2.6 120,-1.3 -2,-0.4 2,-0.1 -0.439 14.1 170.8-135.8 62.4 -14.6 -7.2 23.7 60 60 A P E - S 0 178B 23 0, 0.0 2,-0.5 0, 0.0 118,-0.3 -0.472 20.3-158.8 -71.4 143.2 -11.3 -9.1 23.3 61 61 A N E S- S 0 177B 116 116,-3.0 116,-1.7 -2,-0.1 2,-0.3 -0.787 75.3 -20.7-115.8 81.0 -11.5 -12.6 21.6 62 62 A G S S+ 0 0 18 -2,-0.5 25,-1.2 114,-0.2 2,-0.5 -0.896 123.5 8.6 116.4-152.0 -8.3 -14.0 23.0 63 63 A N S S+ 0 0 30 111,-0.4 111,-1.8 -2,-0.3 2,-0.3 -0.556 75.8 133.7 -75.2 115.3 -5.2 -12.2 24.4 64 64 A G E -D 173 0A 0 -2,-0.5 22,-1.0 24,-0.2 2,-0.4 -0.951 36.3-148.3-158.9 140.7 -5.8 -8.4 24.9 65 65 A Y E -DE 172 85A 23 107,-2.3 107,-2.2 -2,-0.3 2,-0.6 -0.941 8.8-157.1-114.3 138.8 -5.2 -5.9 27.7 66 66 A L E +DE 171 84A 0 18,-2.7 17,-2.4 -2,-0.4 18,-1.7 -0.958 49.1 148.8-105.4 107.6 -7.1 -2.8 28.7 67 67 A T E -DE 170 82A 0 103,-2.1 103,-3.3 -2,-0.6 15,-0.3 -0.995 59.4-115.2-150.6 137.7 -4.3 -1.0 30.5 68 68 A L E -DE 169 81A 0 13,-2.6 13,-1.9 -2,-0.3 2,-0.3 -0.569 48.2-173.2 -62.4 141.8 -2.6 2.2 31.5 69 69 A Y E +DE 168 80A 12 99,-2.5 99,-2.9 11,-0.2 2,-0.3 -0.996 14.9 133.9-149.3 134.9 0.7 2.1 29.6 70 70 A G E -DE 167 79A 0 9,-1.9 9,-2.6 -2,-0.3 2,-0.3 -0.981 32.4-123.2-167.7 179.0 3.9 4.2 29.6 71 71 A W E - 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