==== 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)04-JUN-92 1DID . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP.; . AUTHOR C.A.COLLYER,J.D.GOLDBERG,D.M.BLOW . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35396.0 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 . 68 8.7 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 . 1 0.1 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 . 42 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 37.3 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 7 2 2 0 2 2 2 2 2 2 0 0 0 0 2 0 0 2 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 8 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 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 88 0, 0.0 315,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 110.7 35.1 65.1 34.7 2 3 A Q - 0 0 79 313,-0.1 2,-0.2 309,-0.0 43,-0.1 -0.982 360.0-134.6-124.6 118.1 33.2 68.2 35.6 3 4 A P - 0 0 35 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.516 21.6-174.2 -79.0 142.3 33.2 71.1 33.3 4 5 A T > - 0 0 70 -2,-0.2 3,-2.8 1,-0.0 4,-0.4 -0.982 44.4 -99.3-129.5 152.4 33.7 74.6 34.6 5 6 A P G > S+ 0 0 78 0, 0.0 3,-1.5 0, 0.0 42,-0.1 0.712 118.1 71.8 -40.0 -28.9 33.4 77.9 32.7 6 7 A A G 3 S+ 0 0 77 1,-0.3 41,-0.0 2,-0.1 0, 0.0 0.655 85.9 65.5 -56.6 -29.4 37.3 77.9 32.5 7 8 A D G < S- 0 0 36 -3,-2.8 -1,-0.3 38,-0.2 281,-0.2 0.680 101.3-136.6 -72.7 -29.0 37.1 75.0 30.0 8 9 A H < + 0 0 65 -3,-1.5 280,-2.3 -4,-0.4 2,-0.5 0.833 33.6 174.5 65.3 42.1 35.4 77.4 27.5 9 10 A F E -a 288 0A 1 36,-0.4 38,-2.9 -5,-0.2 39,-1.3 -0.708 7.0-174.0 -81.1 114.8 32.7 75.1 26.2 10 11 A T E -ab 289 48A 0 278,-1.8 280,-2.2 -2,-0.5 2,-0.3 -0.884 5.7-165.9-116.2 146.7 30.4 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 -0.968 19.7-123.6-129.3 147.9 27.1 75.7 22.3 12 13 A G E >> - b 0 50A 0 278,-1.0 3,-1.0 -2,-0.3 4,-0.7 -0.710 19.9-126.6 -90.4 154.7 25.0 77.0 19.5 13 14 A L H 3> S+ 0 0 12 37,-2.8 4,-1.2 -2,-0.3 38,-0.1 0.827 110.9 55.4 -63.5 -33.3 21.3 77.8 20.1 14 15 A W H 34 S+ 0 0 39 3,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.604 97.6 67.3 -70.3 -20.1 20.3 75.6 17.1 15 16 A T H X4 S+ 0 0 0 -3,-1.0 3,-2.1 2,-0.2 -2,-0.1 0.960 114.8 21.9 -68.7 -78.7 22.2 72.5 18.6 16 17 A V H 3< S+ 0 0 0 -4,-0.7 -2,-0.2 1,-0.3 -1,-0.1 0.737 125.1 58.4 -61.3 -24.1 20.1 71.8 21.8 17 18 A G T 3< S+ 0 0 18 -4,-1.2 2,-0.4 -5,-0.3 15,-0.3 0.438 74.5 129.0 -84.4 -5.6 17.1 73.7 20.1 18 19 A W < - 0 0 52 -3,-2.1 -3,-0.1 -4,-0.2 -4,-0.0 -0.352 48.2-156.0 -63.8 118.8 17.2 71.3 17.1 19 20 A T - 0 0 30 -2,-0.4 9,-2.5 -5,-0.1 10,-2.3 0.621 35.1-106.9 -72.7 -22.4 13.7 70.1 16.7 20 21 A G + 0 0 0 1,-0.3 2,-0.2 7,-0.3 276,-0.1 0.282 66.3 143.5 106.0 -7.3 14.2 66.8 14.9 21 22 A A + 0 0 46 8,-0.1 -1,-0.3 2,-0.1 5,-0.2 -0.424 19.3 166.1 -71.2 129.8 13.0 67.7 11.4 22 23 A D B > -F 25 0B 66 3,-2.3 3,-1.0 -2,-0.2 5,-0.0 -0.728 55.5 -82.9-129.0-178.6 15.1 65.9 8.7 23 24 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.677 128.2 40.7 -64.7 -22.7 14.5 65.4 5.0 24 25 A F T 3 S+ 0 0 200 1,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.272 120.3 24.1-108.6 4.7 12.2 62.3 5.6 25 26 A G B < S-F 22 0B 26 -3,-1.0 -3,-2.3 -5,-0.0 -1,-0.2 -0.986 70.8-100.5-170.0 160.7 10.2 63.5 8.6 26 27 A V - 0 0 119 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.212 57.2 -65.9 -80.0 168.1 8.8 66.2 10.9 27 28 A A - 0 0 46 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.071 34.0-167.7 -51.2 144.0 10.0 67.6 14.1 28 29 A T S S+ 0 0 49 -9,-2.5 2,-0.3 1,-0.1 -8,-0.2 0.529 70.3 53.6-112.6 -9.3 10.0 65.3 17.1 29 30 A R S S- 0 0 16 -10,-2.3 -8,-0.1 270,-0.1 -1,-0.1 -0.941 84.4-112.5-126.7 150.3 10.6 68.0 19.8 30 31 A K - 0 0 74 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.362 51.2 -83.1 -75.8 155.3 8.8 71.2 20.6 31 32 A N - 0 0 143 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.330 45.1-127.4 -59.7 147.5 10.7 74.5 20.0 32 33 A L - 0 0 27 -15,-0.3 -1,-0.1 -3,-0.1 -15,-0.1 -0.907 16.0-122.2-102.5 128.3 13.0 75.5 22.9 33 34 A D > - 0 0 96 -2,-0.5 4,-1.9 1,-0.1 3,-0.4 -0.493 17.2-136.3 -67.7 132.1 12.8 79.0 24.4 34 35 A P H > S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.777 104.8 57.8 -56.5 -34.4 16.2 80.7 24.1 35 36 A V H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.934 108.2 46.7 -63.6 -48.3 15.9 81.9 27.7 36 37 A E H > S+ 0 0 81 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.828 108.2 54.6 -64.8 -36.8 15.5 78.3 28.8 37 38 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.939 110.0 49.0 -61.9 -46.6 18.5 77.2 26.7 38 39 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.914 113.6 44.4 -54.2 -54.3 20.7 79.8 28.4 39 40 A H H X S+ 0 0 70 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.966 116.9 46.1 -59.1 -54.6 19.6 78.8 31.9 40 41 A K H X S+ 0 0 60 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.900 113.6 47.6 -57.1 -47.3 20.0 75.1 31.2 41 42 A L H X>S+ 0 0 0 -4,-3.1 5,-2.1 -5,-0.2 4,-0.7 0.880 110.7 53.5 -64.2 -37.1 23.4 75.5 29.5 42 43 A A H ><5S+ 0 0 29 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.906 106.9 50.9 -61.6 -45.7 24.6 77.7 32.4 43 44 A E H 3<5S+ 0 0 146 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 107.6 55.5 -64.0 -38.3 23.6 75.0 34.9 44 45 A L H 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.655 123.0 -97.8 -72.6 -16.4 25.6 72.4 32.9 45 46 A G T <<5 + 0 0 9 -3,-1.0 -36,-0.4 -4,-0.7 -38,-0.2 0.460 66.4 156.8 113.7 4.5 29.0 74.3 32.9 46 47 A A < - 0 0 1 -5,-2.1 -1,-0.3 -6,-0.2 -36,-0.2 -0.266 33.2-156.0 -61.0 152.8 28.8 76.0 29.5 47 48 A Y - 0 0 57 -38,-2.9 36,-1.8 1,-0.3 2,-0.3 0.667 67.6 -14.7 -99.1 -32.0 30.9 79.1 29.2 48 49 A G E -bc 10 83A 0 -39,-1.3 -37,-1.3 34,-0.2 -1,-0.3 -0.976 54.0-123.8-167.5 174.9 28.9 80.7 26.4 49 50 A I E -b 11 0A 0 34,-2.2 37,-0.5 -2,-0.3 2,-0.3 -0.896 15.0-165.2-132.5 150.0 26.3 80.5 23.7 50 51 A T E +b 12 0A 0 -39,-2.0 -37,-2.8 -2,-0.3 2,-0.3 -0.874 12.7 178.1-132.2 161.7 26.3 81.3 19.9 51 52 A F E -g 87 0C 0 35,-0.7 37,-1.9 -2,-0.3 2,-0.4 -0.987 31.6-115.5-159.2 167.7 23.5 81.8 17.5 52 53 A H E >> -g 88 0C 20 -2,-0.3 3,-2.1 35,-0.2 4,-0.9 -0.865 43.4-111.1-100.3 142.8 22.4 82.6 13.9 53 54 A D H >> S+ 0 0 15 35,-1.7 4,-2.6 -2,-0.4 3,-1.2 0.855 118.9 47.3 -45.3 -51.9 20.4 85.9 13.6 54 55 A N H 34 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.456 97.8 68.8 -76.0 -2.8 17.2 83.9 12.8 55 56 A D H <4 S+ 0 0 50 -3,-2.1 -1,-0.3 3,-0.1 -2,-0.2 0.761 120.2 20.7 -76.7 -35.8 17.6 81.4 15.7 56 57 A L H << S+ 0 0 10 -3,-1.2 -2,-0.2 -4,-0.9 -3,-0.1 0.802 130.3 40.2 -96.4 -61.1 16.9 84.3 17.9 57 58 A I S < S- 0 0 17 -4,-2.6 -1,-0.2 -5,-0.2 9,-0.1 -0.835 85.0-125.0-104.8 112.8 15.0 86.9 15.8 58 59 A P > - 0 0 53 0, 0.0 3,-1.6 0, 0.0 -3,-0.1 -0.105 22.2-115.0 -52.8 150.9 12.4 85.7 13.4 59 60 A F T 3 S+ 0 0 94 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.898 116.6 36.4 -55.2 -51.1 12.8 86.7 9.7 60 61 A D T 3 S+ 0 0 134 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.124 84.5 143.3 -91.7 17.3 9.6 88.7 9.8 61 62 A A < - 0 0 25 -3,-1.6 2,-0.1 1,-0.1 -4,-0.0 -0.306 47.3-129.5 -57.7 139.6 9.9 90.1 13.4 62 63 A T > - 0 0 77 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.324 28.6-104.0 -80.3 170.6 8.6 93.7 13.9 63 64 A E H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.888 122.1 53.1 -66.3 -38.6 10.9 96.1 15.6 64 65 A A H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.965 112.5 46.8 -61.6 -51.8 9.0 96.0 18.9 65 66 A E H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 108.9 54.0 -56.2 -42.5 9.3 92.2 18.8 66 67 A R H X S+ 0 0 86 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.902 110.8 47.2 -60.4 -42.7 13.1 92.4 18.0 67 68 A E H X S+ 0 0 121 -4,-2.0 4,-2.3 -3,-0.2 -1,-0.2 0.893 110.5 50.9 -63.6 -43.1 13.6 94.6 21.0 68 69 A K H X S+ 0 0 131 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.981 110.9 48.7 -59.0 -58.9 11.6 92.3 23.3 69 70 A I H X S+ 0 0 39 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.896 112.6 46.5 -51.4 -50.5 13.5 89.2 22.3 70 71 A L H X S+ 0 0 8 -4,-2.0 4,-3.6 -5,-0.2 -1,-0.2 0.889 110.9 54.1 -62.8 -40.5 17.0 90.9 22.7 71 72 A G H X S+ 0 0 41 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.935 112.2 43.8 -58.3 -49.4 15.8 92.2 26.1 72 73 A D H X S+ 0 0 74 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.897 115.9 47.6 -62.1 -44.6 14.9 88.7 27.2 73 74 A F H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.933 113.1 46.6 -67.4 -46.8 18.1 87.2 25.8 74 75 A N H X S+ 0 0 77 -4,-3.6 4,-3.1 2,-0.2 -1,-0.2 0.832 110.1 55.0 -65.2 -34.2 20.4 89.8 27.3 75 76 A Q H X S+ 0 0 108 -4,-2.0 4,-3.6 -5,-0.2 -2,-0.2 0.950 108.8 48.2 -58.8 -52.1 18.5 89.4 30.7 76 77 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 6,-0.3 0.902 112.7 48.5 -55.8 -48.5 19.3 85.6 30.5 77 78 A L H X S+ 0 0 17 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.938 113.4 47.0 -56.6 -50.6 23.0 86.4 29.7 78 79 A K H < S+ 0 0 78 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.938 113.5 48.3 -58.3 -48.7 23.2 88.9 32.6 79 80 A D H < S+ 0 0 104 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.924 122.4 31.8 -61.9 -44.1 21.5 86.5 35.1 80 81 A T H < S- 0 0 39 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.699 98.6-122.2 -88.3 -22.9 23.7 83.5 34.2 81 82 A G < + 0 0 61 -4,-2.8 -3,-0.1 -5,-0.3 -4,-0.1 0.400 53.6 155.2 96.3 -2.9 27.0 84.9 33.3 82 83 A L - 0 0 18 -5,-0.4 -1,-0.3 -6,-0.3 -34,-0.2 -0.335 31.0-147.6 -65.9 139.6 27.1 83.3 29.8 83 84 A K B -c 48 0A 64 -36,-1.8 -34,-2.2 -2,-0.1 45,-0.1 -0.459 7.8-137.7 -93.8 166.6 29.3 85.1 27.2 84 85 A V + 0 0 4 43,-0.3 -34,-0.1 -36,-0.2 -36,-0.1 -0.792 29.3 168.8-131.0 86.5 28.5 85.2 23.4 85 86 A P + 0 0 5 0, 0.0 46,-2.1 0, 0.0 45,-1.6 0.672 62.7 27.6 -77.0 -24.1 31.8 84.6 21.7 86 87 A M E - h 0 131C 3 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.995 56.6-174.0-141.5 147.1 30.5 84.0 18.1 87 88 A V E -gh 51 132C 0 44,-1.6 46,-1.8 -2,-0.3 2,-0.3 -0.951 11.5-174.9-134.7 153.1 27.4 85.1 16.0 88 89 A T E -gh 52 133C 6 -37,-1.9 -35,-1.7 -2,-0.3 2,-0.4 -0.848 19.6-118.8-144.8 167.3 26.5 83.9 12.5 89 90 A T - 0 0 10 44,-0.7 2,-0.9 -37,-0.3 46,-0.3 -0.921 16.8-128.2-116.3 143.4 23.9 84.6 9.8 90 91 A N + 0 0 12 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.845 39.6 156.0 -95.7 110.3 21.3 82.3 8.3 91 92 A L + 0 0 17 -2,-0.9 47,-0.3 44,-0.3 -1,-0.1 -0.197 67.3 55.5-118.8 31.7 21.7 82.6 4.5 92 93 A F S S+ 0 0 34 45,-0.1 8,-0.1 8,-0.1 -1,-0.1 0.650 87.5 63.9-137.0 -29.5 20.2 79.2 3.8 93 94 A S S S+ 0 0 79 3,-0.1 -2,-0.1 2,-0.0 5,-0.0 0.877 79.6 76.3 -73.6 -51.2 16.6 78.7 5.2 94 95 A H S > S- 0 0 74 -4,-0.2 3,-1.9 1,-0.1 4,-0.1 -0.322 87.5-117.8 -61.1 146.2 14.3 81.2 3.5 95 96 A P G > S+ 0 0 97 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.753 109.0 74.1 -57.4 -22.1 13.3 80.2 -0.1 96 97 A V G 3 S+ 0 0 40 1,-0.3 3,-0.4 2,-0.1 13,-0.1 0.805 92.1 55.2 -60.3 -36.0 15.0 83.4 -1.4 97 98 A F G X + 0 0 1 -3,-1.9 3,-2.2 1,-0.2 -1,-0.3 0.170 68.6 120.8 -86.4 20.7 18.5 81.8 -0.7 98 99 A K T < S+ 0 0 167 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.696 87.9 30.6 -57.5 -25.6 17.7 78.6 -2.9 99 100 A D T 3 S- 0 0 35 1,-0.5 41,-0.3 -3,-0.4 -1,-0.3 0.009 131.1 -82.4-115.2 15.6 20.7 79.4 -5.1 100 101 A G < - 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