==== 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 1XLJ . 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) . 35634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.4 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 . 2 0.3 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 . 44 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.4 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 1 1 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 8 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 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 4 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 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 93 0, 0.0 315,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 119.8 35.6 65.2 34.8 2 3 A Q - 0 0 79 313,-0.1 2,-0.1 309,-0.0 43,-0.1 -0.997 360.0-126.0-134.9 122.5 33.4 68.3 35.4 3 4 A P - 0 0 33 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.368 24.5-173.2 -74.5 147.3 33.5 71.3 33.1 4 5 A T > - 0 0 73 -2,-0.1 3,-3.4 1,-0.0 4,-0.4 -0.984 43.0-100.7-134.2 155.7 34.1 74.7 34.3 5 6 A P G > S+ 0 0 78 0, 0.0 3,-0.8 0, 0.0 42,-0.1 0.711 118.0 70.2 -45.8 -22.2 33.9 78.1 32.5 6 7 A A G 3 S+ 0 0 78 1,-0.2 41,-0.0 2,-0.1 0, 0.0 0.718 87.3 65.7 -66.4 -29.1 37.8 77.9 32.2 7 8 A D G < S- 0 0 36 -3,-3.4 -1,-0.2 38,-0.2 281,-0.1 0.689 99.9-138.3 -72.5 -30.4 37.4 75.1 29.8 8 9 A H < + 0 0 59 -3,-0.8 280,-2.5 -4,-0.4 2,-0.5 0.810 34.3 171.9 67.5 41.4 35.7 77.5 27.2 9 10 A F E -a 288 0A 1 36,-0.3 38,-3.2 -5,-0.3 39,-1.3 -0.673 8.1-175.7 -83.1 119.7 33.0 75.1 26.1 10 11 A T E -ab 289 48A 0 278,-1.9 280,-2.0 -2,-0.5 2,-0.3 -0.855 7.4-163.3-118.1 152.3 30.6 77.0 23.9 11 12 A F E -ab 290 49A 0 37,-1.3 39,-2.0 -2,-0.3 2,-0.3 -0.993 19.4-121.5-136.9 149.8 27.3 75.8 22.3 12 13 A G E >> - b 0 50A 0 278,-1.0 3,-1.5 -2,-0.3 4,-1.0 -0.658 19.2-130.7 -88.8 149.2 25.1 77.1 19.5 13 14 A L H 3> S+ 0 0 9 37,-2.2 4,-1.1 -2,-0.3 38,-0.1 0.866 111.1 54.2 -61.6 -35.1 21.4 77.9 20.3 14 15 A W H 34 S+ 0 0 34 3,-0.2 -1,-0.3 36,-0.2 4,-0.1 0.480 98.7 66.1 -72.6 -15.1 20.5 75.8 17.2 15 16 A T H X4 S+ 0 0 0 -3,-1.5 3,-1.6 2,-0.2 -2,-0.2 0.923 116.7 20.7 -79.4 -66.3 22.4 72.7 18.6 16 17 A V H 3< S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.3 -3,-0.1 0.826 125.8 60.8 -68.0 -25.0 20.4 71.8 21.7 17 18 A G T 3< S+ 0 0 17 -4,-1.1 2,-0.5 -5,-0.4 15,-0.4 0.527 73.6 121.8 -77.2 -11.6 17.6 73.8 20.0 18 19 A W < - 0 0 56 -3,-1.6 -3,-0.1 274,-0.2 -4,-0.0 -0.495 48.9-161.5 -65.9 118.4 17.5 71.4 17.0 19 20 A T - 0 0 29 -2,-0.5 9,-2.2 -5,-0.1 10,-2.0 0.489 38.1-102.4 -83.6 -13.8 13.9 70.1 16.9 20 21 A G + 0 0 0 1,-0.3 2,-0.2 7,-0.3 276,-0.1 0.375 64.9 143.8 104.6 -3.6 14.3 67.0 14.8 21 22 A A + 0 0 51 2,-0.1 -1,-0.3 3,-0.0 5,-0.2 -0.531 20.3 163.7 -75.5 136.9 13.1 67.7 11.3 22 23 A D B > -F 25 0B 69 3,-1.7 3,-1.2 -2,-0.2 5,-0.0 -0.719 56.7 -73.9-134.7-173.7 15.2 65.9 8.7 23 24 A P T 3 S+ 0 0 115 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.712 131.0 34.2 -56.0 -31.9 14.6 65.1 5.0 24 25 A F T 3 S+ 0 0 201 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.177 120.3 35.4-113.8 16.7 12.1 62.3 5.8 25 26 A G B < -F 22 0B 27 -3,-1.2 -3,-1.7 -5,-0.0 2,-0.1 -0.996 66.8-109.0-168.3 163.8 10.4 63.7 8.9 26 27 A V - 0 0 120 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.414 58.2 -68.5 -88.7 167.7 8.9 66.4 11.1 27 28 A A - 0 0 43 1,-0.1 -7,-0.3 -2,-0.1 -1,-0.2 -0.175 34.4-165.1 -51.0 144.9 10.3 67.7 14.4 28 29 A T S S+ 0 0 50 -9,-2.2 2,-0.3 -3,-0.1 -8,-0.2 0.423 71.4 53.5-110.4 -10.8 10.1 65.3 17.4 29 30 A R S S- 0 0 17 -10,-2.0 2,-0.1 270,-0.1 3,-0.1 -0.885 85.6-110.5-123.9 156.4 10.7 67.9 20.1 30 31 A K - 0 0 71 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.372 51.7 -78.0 -83.3 158.1 9.0 71.2 20.9 31 32 A N - 0 0 147 -2,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.275 45.3-126.1 -60.5 147.1 10.8 74.5 20.3 32 33 A L - 0 0 23 -15,-0.4 -1,-0.1 -19,-0.1 -13,-0.0 -0.875 17.0-127.5 -96.2 124.9 13.3 75.5 23.0 33 34 A D > - 0 0 87 -2,-0.5 4,-1.9 1,-0.1 3,-0.2 -0.567 15.0-135.3 -70.1 136.6 12.9 78.9 24.6 34 35 A P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.815 103.5 57.9 -57.5 -39.2 16.2 80.8 24.4 35 36 A V H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.920 108.6 45.1 -58.7 -51.2 16.0 81.9 28.0 36 37 A E H > S+ 0 0 84 -3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.835 108.6 57.4 -63.9 -35.5 15.8 78.3 29.1 37 38 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.935 108.5 47.6 -56.6 -51.0 18.8 77.3 26.8 38 39 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.872 115.2 43.2 -56.5 -48.3 21.0 79.9 28.5 39 40 A H H X S+ 0 0 70 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.942 114.6 49.7 -68.1 -49.8 20.1 78.9 32.0 40 41 A K H X S+ 0 0 57 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.897 112.3 46.9 -58.9 -44.1 20.3 75.1 31.3 41 42 A L H X>S+ 0 0 0 -4,-2.3 5,-2.3 -5,-0.3 4,-0.9 0.871 110.6 52.7 -67.2 -39.3 23.8 75.4 29.6 42 43 A A H ><5S+ 0 0 29 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.946 107.3 52.4 -63.9 -44.2 25.1 77.6 32.5 43 44 A E H 3<5S+ 0 0 139 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.923 108.3 53.3 -57.7 -39.3 23.9 74.9 35.0 44 45 A L H 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.662 124.4 -98.7 -72.2 -19.0 26.0 72.4 32.8 45 46 A G T <<5 + 0 0 11 -3,-1.1 -36,-0.3 -4,-0.9 -38,-0.2 0.398 65.0 160.4 114.6 0.8 29.3 74.3 32.9 46 47 A A < - 0 0 4 -5,-2.3 -1,-0.2 -6,-0.1 -36,-0.2 -0.049 31.8-155.4 -54.8 152.3 29.1 76.0 29.5 47 48 A Y - 0 0 55 -38,-3.2 36,-1.5 1,-0.4 2,-0.3 0.862 68.9 -10.7 -95.3 -48.0 31.3 79.1 29.1 48 49 A G E -bc 10 83A 0 -39,-1.3 -37,-1.3 34,-0.2 -1,-0.4 -0.924 55.9-130.0-152.9 171.7 29.2 80.8 26.3 49 50 A I E -b 11 0A 0 34,-2.0 37,-0.4 -2,-0.3 2,-0.3 -0.855 18.3-163.9-124.7 151.0 26.4 80.5 23.9 50 51 A T E -b 12 0A 0 -39,-2.0 -37,-2.2 -2,-0.3 2,-0.3 -0.861 10.3-179.4-133.8 165.0 26.4 81.3 20.2 51 52 A F E -g 87 0C 0 35,-0.6 37,-2.2 -2,-0.3 2,-0.4 -0.987 30.1-117.8-160.8 165.1 23.5 81.9 17.7 52 53 A H E >> -g 88 0C 17 -2,-0.3 3,-2.2 35,-0.2 4,-1.0 -0.865 44.2-109.6 -97.8 144.6 22.4 82.6 14.1 53 54 A D H >> S+ 0 0 14 35,-1.8 4,-2.8 -2,-0.4 3,-0.8 0.830 119.0 43.5 -43.3 -53.2 20.4 85.9 13.8 54 55 A N H 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.413 97.3 72.8 -81.5 4.3 17.1 84.0 13.0 55 56 A D H <4 S+ 0 0 51 -3,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.884 119.9 18.7 -72.4 -43.7 17.7 81.4 15.8 56 57 A L H << S+ 0 0 9 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.1 0.898 130.5 43.0 -89.6 -67.3 16.8 84.3 18.1 57 58 A I S < S- 0 0 10 -4,-2.8 -1,-0.2 -5,-0.2 9,-0.1 -0.798 85.6-125.9 -98.3 114.3 15.0 87.0 16.0 58 59 A P > - 0 0 59 0, 0.0 3,-1.1 0, 0.0 -3,-0.1 -0.115 22.4-116.4 -51.5 150.9 12.4 85.6 13.6 59 60 A F T 3 S+ 0 0 93 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.862 117.4 36.2 -55.6 -45.5 12.9 86.7 9.9 60 61 A D T 3 S+ 0 0 136 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.338 86.2 142.0 -88.7 -3.9 9.6 88.6 10.0 61 62 A A < - 0 0 23 -3,-1.1 2,-0.1 1,-0.1 -4,-0.0 -0.043 47.9-129.8 -41.0 138.6 9.9 89.8 13.7 62 63 A T > - 0 0 76 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.347 27.9-100.7 -81.9 175.0 8.6 93.4 14.1 63 64 A E H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.859 124.9 48.9 -63.0 -39.9 10.7 96.1 16.0 64 65 A A H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.967 112.3 51.0 -68.6 -51.9 8.8 95.7 19.3 65 66 A E H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.923 109.0 49.9 -52.7 -47.3 9.2 91.9 18.9 66 67 A R H X S+ 0 0 87 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.878 110.5 50.3 -56.4 -46.4 13.0 92.1 18.3 67 68 A E H X S+ 0 0 124 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.878 109.9 48.8 -64.1 -38.4 13.4 94.4 21.3 68 69 A K H X S+ 0 0 131 -4,-1.8 4,-2.6 -3,-0.3 3,-0.3 0.983 112.2 49.2 -64.1 -55.4 11.5 92.0 23.7 69 70 A I H X S+ 0 0 40 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.872 113.2 46.3 -52.2 -50.7 13.5 89.0 22.5 70 71 A L H X S+ 0 0 12 -4,-2.5 4,-3.0 1,-0.2 -1,-0.3 0.845 111.0 53.3 -60.4 -38.7 16.8 90.9 23.0 71 72 A G H X S+ 0 0 42 -4,-1.9 4,-1.4 -3,-0.3 -1,-0.2 0.868 111.6 44.9 -66.0 -40.5 15.7 92.1 26.4 72 73 A D H X S+ 0 0 74 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.892 116.2 46.5 -71.9 -38.1 14.9 88.6 27.6 73 74 A F H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.919 113.3 47.4 -71.2 -45.0 18.1 87.2 26.1 74 75 A N H X S+ 0 0 76 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.796 110.1 54.9 -66.6 -28.5 20.3 89.9 27.6 75 76 A Q H X S+ 0 0 105 -4,-1.4 4,-3.5 2,-0.2 -2,-0.2 0.979 109.1 47.3 -64.2 -55.7 18.5 89.4 31.0 76 77 A A H X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.3 6,-0.3 0.862 111.5 50.2 -49.9 -50.0 19.4 85.6 30.9 77 78 A L H X>S+ 0 0 19 -4,-2.5 4,-2.6 2,-0.2 5,-0.5 0.937 113.7 45.6 -58.0 -49.0 23.0 86.4 30.0 78 79 A K H <5S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.928 113.7 49.9 -61.3 -48.4 23.2 88.9 32.9 79 80 A D H <5S+ 0 0 100 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.930 124.1 27.5 -56.7 -52.0 21.6 86.5 35.2 80 81 A T H <5S- 0 0 42 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.626 96.9-125.6 -87.6 -21.2 23.9 83.5 34.4 81 82 A G T <5 + 0 0 61 -4,-2.6 -3,-0.2 -5,-0.3 -4,-0.1 0.497 50.7 159.8 83.6 11.9 27.1 85.2 33.3 82 83 A L < - 0 0 15 -5,-0.5 -1,-0.3 -6,-0.3 -34,-0.2 -0.364 31.3-140.2 -65.4 144.8 27.3 83.4 29.9 83 84 A K B -c 48 0A 53 -36,-1.5 -34,-2.0 -2,-0.0 45,-0.1 -0.571 3.9-138.7 -99.4 161.9 29.4 85.1 27.3 84 85 A V + 0 0 3 43,-0.4 -34,-0.1 -36,-0.2 3,-0.1 -0.809 30.4 167.3-123.8 84.6 28.5 85.4 23.5 85 86 A P + 0 0 0 0, 0.0 46,-2.2 0, 0.0 45,-1.3 0.724 62.1 22.5 -76.7 -24.0 31.9 84.6 21.8 86 87 A M E - h 0 131C 1 -37,-0.4 -35,-0.6 43,-0.2 2,-0.3 -0.993 56.6-173.2-146.0 147.9 30.6 84.1 18.2 87 88 A V E -gh 51 132C 0 44,-1.7 46,-1.5 -2,-0.3 2,-0.3 -0.979 11.1-172.7-137.3 144.7 27.5 85.2 16.2 88 89 A T E -gh 52 133C 6 -37,-2.2 -35,-1.8 -2,-0.3 2,-0.3 -0.818 20.1-118.8-137.2 165.7 26.6 84.0 12.6 89 90 A T - 0 0 10 44,-0.6 2,-0.9 -2,-0.3 46,-0.3 -0.847 18.3-127.3-107.3 150.9 24.0 84.8 10.0 90 91 A N + 0 0 15 -2,-0.3 4,-0.2 1,-0.1 -38,-0.0 -0.873 41.2 155.3-100.0 107.7 21.4 82.5 8.5 91 92 A L + 0 0 22 -2,-0.9 47,-0.3 44,-0.3 -1,-0.1 -0.216 66.7 57.0-116.6 35.4 21.8 82.8 4.7 92 93 A F S S+ 0 0 37 45,-0.1 -1,-0.1 46,-0.1 8,-0.1 0.649 86.1 63.3-139.3 -23.0 20.3 79.4 4.0 93 94 A S S S+ 0 0 76 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.839 80.5 76.8 -83.2 -37.7 16.8 78.8 5.4 94 95 A H S > S- 0 0 76 -4,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.485 85.8-119.6 -70.1 148.6 14.5 81.2 3.7 95 96 A P G > S+ 0 0 95 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.838 110.1 73.4 -54.8 -30.0 13.5 80.2 0.1 96 97 A V G 3 S+ 0 0 41 1,-0.3 3,-0.5 2,-0.1 13,-0.1 0.885 93.6 54.6 -51.8 -39.9 15.1 83.5 -1.1 97 98 A F G X S+ 0 0 1 -3,-2.1 3,-2.1 1,-0.2 -1,-0.3 0.213 70.4 118.4 -83.3 18.4 18.5 81.9 -0.4 98 99 A K T < S+ 0 0 163 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.714 86.7 32.3 -58.2 -29.6 17.8 78.8 -2.7 99 100 A D T 3 S- 0 0 35 1,-0.5 41,-0.4 -3,-0.5 -1,-0.3 0.105 130.7 -82.1-111.3 13.9 20.8 79.6 -5.0 100 101 A G < - 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