==== 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 ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)09-OCT-91 1XLC . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP.; . AUTHOR C.A.COLLYER,K.HENRICK,D.M.BLOW . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 43 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.5 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 6 3 1 0 2 2 1 3 2 2 0 0 0 0 2 0 0 2 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 8 3 0 0 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 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 V 0 0 91 0, 0.0 315,-0.1 0, 0.0 311,-0.1 0.000 360.0 360.0 360.0 124.5 35.2 65.1 34.7 2 3 A Q - 0 0 75 313,-0.1 2,-0.2 309,-0.1 43,-0.1 -0.978 360.0-133.6-139.1 118.5 33.1 68.2 35.4 3 4 A P - 0 0 30 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.422 21.3-174.5 -77.3 146.7 33.3 71.2 33.0 4 5 A T > - 0 0 72 -2,-0.2 3,-2.7 41,-0.0 4,-0.3 -0.963 45.8 -96.8-132.2 154.2 33.6 74.6 34.4 5 6 A P G > S+ 0 0 74 0, 0.0 3,-0.9 0, 0.0 42,-0.1 0.616 118.5 73.4 -48.4 -18.6 33.5 77.9 32.3 6 7 A A G 3 S+ 0 0 82 1,-0.3 41,-0.0 2,-0.1 0, 0.0 0.730 86.8 64.3 -64.6 -30.3 37.4 77.8 32.2 7 8 A D G < S- 0 0 35 -3,-2.7 -1,-0.3 38,-0.2 281,-0.1 0.766 101.6-138.0 -70.0 -28.1 37.1 74.9 29.7 8 9 A H < + 0 0 59 -3,-0.9 280,-2.4 -4,-0.3 2,-0.5 0.807 33.8 172.9 69.6 34.6 35.4 77.3 27.2 9 10 A F E -a 288 0A 2 36,-0.3 38,-3.1 -5,-0.3 39,-1.4 -0.654 8.1-174.9 -78.3 118.3 32.6 74.9 26.0 10 11 A T E -ab 289 48A 0 278,-1.9 280,-2.3 -2,-0.5 2,-0.4 -0.861 6.9-163.5-117.6 147.1 30.3 76.9 23.7 11 12 A F E -ab 290 49A 0 37,-1.1 39,-2.2 -2,-0.3 2,-0.3 -0.993 19.2-123.4-132.5 145.2 27.0 75.5 22.2 12 13 A G E >> - b 0 50A 0 278,-1.2 3,-1.1 -2,-0.4 4,-0.8 -0.642 19.5-128.3 -86.6 151.3 25.0 76.9 19.3 13 14 A L H 3> S+ 0 0 9 37,-2.7 4,-1.7 -2,-0.3 38,-0.1 0.886 110.2 56.8 -62.3 -36.2 21.3 77.6 20.1 14 15 A W H 34 S+ 0 0 36 36,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.632 98.7 63.9 -68.6 -17.2 20.3 75.5 17.0 15 16 A T H X4 S+ 0 0 0 -3,-1.1 3,-2.1 2,-0.2 -2,-0.2 0.954 115.9 23.0 -73.9 -75.5 22.2 72.4 18.4 16 17 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.832 125.6 57.8 -60.7 -30.7 20.2 71.7 21.6 17 18 A G T 3< S+ 0 0 15 -4,-1.7 15,-0.4 -5,-0.3 2,-0.4 0.452 74.7 124.6 -77.0 -8.3 17.3 73.6 20.0 18 19 A W < - 0 0 55 -3,-2.1 -3,-0.1 -4,-0.4 -4,-0.0 -0.454 50.1-156.1 -64.1 123.9 17.2 71.2 16.9 19 20 A T - 0 0 30 -2,-0.4 9,-2.2 10,-0.1 10,-2.0 0.459 36.5-104.4 -78.5 -17.6 13.6 69.9 16.7 20 21 A G + 0 0 0 1,-0.3 2,-0.2 7,-0.3 276,-0.1 0.368 67.8 140.4 102.6 -6.7 14.1 66.7 14.8 21 22 A A + 0 0 44 8,-0.1 -1,-0.3 2,-0.1 5,-0.2 -0.448 20.0 160.5 -75.5 142.6 12.9 67.4 11.3 22 23 A D B > -F 25 0B 66 3,-2.1 3,-1.5 -2,-0.2 5,-0.0 -0.819 57.9 -72.4-144.4-179.5 15.0 65.9 8.6 23 24 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.786 129.4 38.9 -53.9 -40.5 14.4 65.0 5.0 24 25 A F T 3 S+ 0 0 199 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.278 119.9 20.6 -98.1 6.3 12.1 62.1 5.7 25 26 A G B < -F 22 0B 24 -3,-1.5 -3,-2.1 -5,-0.0 -1,-0.1 -0.993 69.3 -95.2-172.4 165.9 10.1 63.4 8.6 26 27 A V - 0 0 118 -2,-0.3 -2,-0.1 -5,-0.2 0, 0.0 -0.199 57.7 -70.7 -81.5 167.8 8.8 66.1 10.9 27 28 A A - 0 0 43 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.285 32.1-165.1 -54.0 144.2 10.1 67.4 14.1 28 29 A T S S+ 0 0 49 -9,-2.2 2,-0.3 270,-0.1 -8,-0.2 0.325 71.2 54.1-112.9 -5.3 9.9 65.1 17.2 29 30 A R S S- 0 0 16 -10,-2.0 2,-0.1 270,-0.1 -8,-0.1 -0.910 83.7-113.2-127.8 154.8 10.5 67.8 19.8 30 31 A K - 0 0 73 -2,-0.3 -2,-0.1 1,-0.2 2,-0.0 -0.438 52.4 -78.1 -83.9 159.1 8.7 71.1 20.6 31 32 A N - 0 0 143 -2,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.287 44.6-125.5 -59.4 148.2 10.6 74.4 20.1 32 33 A L - 0 0 22 -15,-0.4 -1,-0.1 -19,-0.1 -15,-0.1 -0.872 17.9-127.2 -96.9 123.2 13.1 75.3 22.8 33 34 A D > - 0 0 91 -2,-0.5 4,-1.8 1,-0.1 3,-0.4 -0.501 17.8-134.2 -65.7 136.3 12.7 78.8 24.4 34 35 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.824 104.1 58.7 -61.7 -33.7 16.1 80.6 24.1 35 36 A V H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.937 107.7 47.9 -57.7 -48.7 15.9 81.8 27.7 36 37 A E H > S+ 0 0 90 -3,-0.4 4,-2.9 2,-0.2 5,-0.3 0.891 107.4 53.8 -61.4 -44.3 15.6 78.1 28.8 37 38 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.947 110.6 48.9 -57.8 -49.8 18.6 77.0 26.5 38 39 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.910 114.7 42.8 -52.4 -54.5 20.7 79.7 28.2 39 40 A H H X S+ 0 0 74 -4,-2.3 4,-2.4 2,-0.2 3,-0.3 0.967 116.4 48.0 -60.7 -52.1 19.7 78.7 31.8 40 41 A K H X S+ 0 0 56 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.906 112.4 47.4 -55.1 -47.5 20.1 75.0 31.1 41 42 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 -5,-0.3 4,-0.8 0.789 109.5 54.5 -67.9 -29.8 23.5 75.3 29.4 42 43 A A H ><5S+ 0 0 30 -4,-1.6 3,-0.8 -5,-0.3 -2,-0.2 0.929 107.3 51.7 -70.2 -43.1 24.7 77.5 32.3 43 44 A E H 3<5S+ 0 0 149 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.883 108.1 51.6 -63.7 -39.0 23.7 74.7 34.7 44 45 A L H 3<5S- 0 0 34 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.635 125.1 -96.3 -74.2 -16.0 25.6 72.1 32.7 45 46 A G T <<5 + 0 0 9 -4,-0.8 -36,-0.3 -3,-0.8 -3,-0.2 0.409 64.9 160.3 116.0 6.8 28.9 74.1 32.7 46 47 A A < - 0 0 3 -5,-2.5 -1,-0.2 1,-0.1 -36,-0.2 -0.214 30.2-158.6 -62.1 146.6 28.8 75.9 29.3 47 48 A Y - 0 0 56 -38,-3.1 36,-1.6 1,-0.3 2,-0.3 0.847 69.6 -4.8 -90.7 -41.5 31.0 79.0 29.0 48 49 A G E -bc 10 83A 0 -39,-1.4 -37,-1.1 34,-0.2 2,-0.3 -0.906 54.3-132.7-151.1 175.0 29.0 80.5 26.1 49 50 A I E -b 11 0A 0 34,-2.3 37,-0.4 -2,-0.3 2,-0.3 -0.949 17.5-166.7-130.9 144.5 26.2 80.3 23.6 50 51 A T E +b 12 0A 0 -39,-2.2 -37,-2.7 -2,-0.3 2,-0.3 -0.859 10.9 177.4-126.8 166.7 26.3 81.1 19.9 51 52 A F E -g 87 0C 0 35,-0.7 37,-2.1 -2,-0.3 2,-0.3 -0.980 31.9-115.8-162.9 165.2 23.4 81.6 17.4 52 53 A H E >> -g 88 0C 15 -2,-0.3 3,-2.0 35,-0.2 4,-1.1 -0.766 44.9-108.7 -94.2 145.8 22.3 82.4 13.8 53 54 A D H >> S+ 0 0 16 35,-1.5 4,-2.7 -2,-0.3 3,-0.6 0.851 119.5 45.8 -49.9 -46.8 20.3 85.7 13.5 54 55 A N H 34 S+ 0 0 46 2,-0.2 -1,-0.3 1,-0.2 5,-0.2 0.445 96.9 71.3 -80.4 2.4 17.0 83.8 12.8 55 56 A D H <4 S+ 0 0 53 -3,-2.0 -1,-0.2 3,-0.1 -2,-0.2 0.905 119.4 20.7 -74.6 -41.7 17.5 81.2 15.6 56 57 A L H << S+ 0 0 7 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.1 0.901 130.2 41.0 -88.4 -61.0 16.7 84.1 17.9 57 58 A I S < S- 0 0 14 -4,-2.7 -1,-0.2 -5,-0.2 9,-0.1 -0.892 85.3-124.6-106.3 114.8 14.9 86.7 15.8 58 59 A P > - 0 0 58 0, 0.0 3,-1.3 0, 0.0 -3,-0.1 0.010 21.7-116.1 -49.4 156.6 12.3 85.4 13.4 59 60 A F T 3 S+ 0 0 93 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.911 117.7 37.5 -61.5 -46.0 12.7 86.4 9.7 60 61 A D T 3 S+ 0 0 136 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.109 84.6 144.4 -91.4 10.5 9.4 88.3 9.8 61 62 A A < - 0 0 25 -3,-1.3 2,-0.1 4,-0.1 -4,-0.0 -0.272 46.8-130.3 -51.9 139.3 9.8 89.7 13.4 62 63 A T > - 0 0 77 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.349 29.6-101.3 -81.6 172.3 8.3 93.3 13.8 63 64 A E H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.937 124.0 49.6 -62.9 -47.3 10.6 95.9 15.5 64 65 A A H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 110.6 51.4 -58.0 -47.9 8.8 95.6 18.9 65 66 A E H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.905 107.1 53.1 -55.7 -45.1 9.1 91.7 18.7 66 67 A R H X S+ 0 0 82 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.886 110.0 48.5 -58.3 -46.4 12.9 92.0 18.0 67 68 A E H X S+ 0 0 118 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.881 111.2 48.6 -61.5 -45.2 13.4 94.2 21.1 68 69 A K H X S+ 0 0 125 -4,-2.2 4,-3.6 2,-0.2 5,-0.2 0.988 112.7 48.9 -58.8 -57.8 11.4 91.9 23.4 69 70 A I H X S+ 0 0 38 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.916 114.9 43.6 -51.4 -52.5 13.4 88.9 22.1 70 71 A L H X S+ 0 0 7 -4,-2.7 4,-3.5 2,-0.2 5,-0.2 0.872 113.1 52.2 -63.6 -35.5 16.8 90.6 22.6 71 72 A G H X S+ 0 0 40 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.925 112.0 47.3 -61.9 -45.9 15.6 92.0 26.1 72 73 A D H X S+ 0 0 62 -4,-3.6 4,-1.9 -5,-0.2 -2,-0.2 0.908 115.9 43.3 -62.7 -44.6 14.7 88.4 27.0 73 74 A F H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.895 113.4 50.2 -74.2 -40.5 18.0 87.0 25.8 74 75 A N H X S+ 0 0 75 -4,-3.5 4,-2.7 2,-0.2 5,-0.2 0.887 109.4 53.3 -63.1 -38.1 20.2 89.8 27.3 75 76 A Q H X S+ 0 0 110 -4,-2.1 4,-3.5 -5,-0.2 5,-0.2 0.976 109.4 48.3 -58.7 -52.8 18.4 89.2 30.6 76 77 A A H X S+ 0 0 2 -4,-1.9 4,-3.0 1,-0.2 6,-0.3 0.910 111.5 50.0 -52.5 -46.9 19.2 85.5 30.5 77 78 A L H X>S+ 0 0 21 -4,-2.3 4,-3.2 2,-0.2 5,-0.5 0.969 113.1 46.3 -57.7 -52.3 22.9 86.2 29.7 78 79 A K H <5S+ 0 0 80 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 114.7 47.7 -58.8 -46.4 23.1 88.7 32.6 79 80 A D H <5S+ 0 0 101 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.884 122.0 33.6 -64.8 -38.0 21.4 86.3 34.9 80 81 A T H <5S- 0 0 36 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.769 96.0-126.7 -91.5 -28.5 23.6 83.3 34.0 81 82 A G T <5 + 0 0 50 -4,-3.2 -3,-0.2 1,-0.3 2,-0.2 0.408 54.5 153.3 94.2 3.9 26.9 84.8 33.2 82 83 A L < - 0 0 15 -5,-0.5 -1,-0.3 -6,-0.3 -34,-0.2 -0.435 33.3-142.7 -74.1 144.8 27.1 83.2 29.8 83 84 A K B -c 48 0A 112 -36,-1.6 -34,-2.3 -2,-0.2 45,-0.1 -0.430 7.3-136.4 -93.6 165.4 29.1 84.9 27.1 84 85 A V + 0 0 6 43,-0.3 -34,-0.1 -36,-0.2 -36,-0.1 -0.763 31.7 164.5-127.9 78.6 28.4 85.1 23.3 85 86 A P + 0 0 9 0, 0.0 46,-2.3 0, 0.0 45,-1.8 0.768 63.7 29.5 -72.5 -29.8 31.7 84.4 21.6 86 87 A M E - h 0 131C 2 -37,-0.4 -35,-0.7 43,-0.2 2,-0.3 -0.984 56.4-176.8-138.0 147.1 30.3 83.8 18.1 87 88 A V E -gh 51 132C 0 44,-1.5 46,-1.5 -2,-0.3 2,-0.3 -0.977 12.3-177.0-139.3 141.9 27.3 85.0 16.0 88 89 A T E -gh 52 133C 6 -37,-2.1 -35,-1.5 -2,-0.3 2,-0.4 -0.798 20.9-117.2-137.1 169.8 26.5 83.8 12.5 89 90 A T - 0 0 8 44,-0.6 2,-1.0 -37,-0.3 46,-0.3 -0.915 16.8-127.8-115.1 144.0 23.9 84.5 9.8 90 91 A N + 0 0 13 -2,-0.4 4,-0.2 1,-0.1 26,-0.0 -0.806 41.7 154.4 -92.8 105.0 21.2 82.3 8.3 91 92 A L + 0 0 18 -2,-1.0 47,-0.3 44,-0.3 -1,-0.1 -0.223 68.6 52.3-116.3 35.8 21.8 82.5 4.5 92 93 A F S S+ 0 0 31 45,-0.1 8,-0.1 8,-0.1 -2,-0.1 0.592 89.0 65.2-144.4 -23.8 20.2 79.1 3.8 93 94 A S S S+ 0 0 77 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.870 79.8 78.3 -79.2 -42.4 16.7 78.7 5.3 94 95 A H S > S- 0 0 71 -4,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.436 85.5-123.0 -63.6 144.4 14.5 81.1 3.5 95 96 A P G > S+ 0 0 93 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.786 108.5 73.2 -60.0 -18.0 13.5 79.9 -0.0 96 97 A V G 3 S+ 0 0 44 1,-0.3 3,-0.4 2,-0.1 13,-0.1 0.819 92.9 54.6 -61.8 -34.1 15.0 83.2 -1.4 97 98 A F G X S+ 0 0 0 -3,-2.1 3,-1.9 1,-0.2 -1,-0.3 0.208 70.2 120.3 -88.7 18.9 18.5 81.7 -0.7 98 99 A K T < S+ 0 0 159 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.653 87.4 31.5 -56.5 -23.7 17.7 78.5 -2.8 99 100 A D T 3 S- 0 0 35 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.211 130.9 -82.9-116.5 5.9 20.7 79.3 -5.1 100 101 A G < - 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