==== 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 1XLL . 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) . 35508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 69.1 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 . 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 . 42 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.9 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 . 16 2.0 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 8 1 2 0 1 3 1 3 1 3 0 0 0 0 2 0 1 1 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 95 0, 0.0 315,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 114.3 35.7 65.4 34.8 2 3 A Q - 0 0 77 313,-0.1 2,-0.1 309,-0.0 43,-0.1 -0.989 360.0-128.3-136.8 122.3 33.5 68.4 35.5 3 4 A P - 0 0 29 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.415 23.9-174.1 -69.1 144.5 33.5 71.3 33.1 4 5 A T > - 0 0 73 -2,-0.1 3,-2.8 1,-0.0 4,-0.4 -0.975 44.8-100.9-130.4 156.8 34.0 74.8 34.4 5 6 A P G > S+ 0 0 76 0, 0.0 3,-1.0 0, 0.0 42,-0.1 0.717 119.2 71.6 -48.2 -20.8 33.8 78.1 32.4 6 7 A A G 3 S+ 0 0 81 1,-0.3 41,-0.0 2,-0.1 0, 0.0 0.635 86.1 65.7 -64.7 -23.7 37.7 78.0 32.3 7 8 A D G < S- 0 0 36 -3,-2.8 -1,-0.3 38,-0.2 281,-0.1 0.714 101.3-139.2 -75.1 -32.6 37.3 75.1 29.8 8 9 A H < + 0 0 61 -3,-1.0 280,-2.4 -4,-0.4 2,-0.3 0.816 34.2 171.9 67.0 38.0 35.7 77.6 27.3 9 10 A F E -a 288 0A 1 36,-0.3 38,-2.5 -5,-0.3 39,-1.8 -0.560 8.3-173.6 -79.1 125.7 33.0 75.2 26.1 10 11 A T E -ab 289 48A 0 278,-1.9 280,-2.4 -2,-0.3 2,-0.3 -0.925 6.6-167.7-124.7 150.2 30.5 77.0 23.8 11 12 A F E -ab 290 49A 0 37,-1.1 39,-1.6 -2,-0.3 2,-0.3 -0.992 19.6-124.2-137.6 147.7 27.2 75.7 22.3 12 13 A G E >> - b 0 50A 0 278,-1.0 4,-1.2 -2,-0.3 3,-1.0 -0.626 18.4-128.6 -92.9 156.3 25.0 77.1 19.6 13 14 A L H 3> S+ 0 0 11 37,-2.1 4,-1.8 1,-0.3 38,-0.1 0.859 112.1 56.2 -65.7 -34.9 21.3 77.8 20.3 14 15 A W H 34 S+ 0 0 36 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.650 101.2 60.4 -71.7 -20.8 20.4 75.8 17.2 15 16 A T H X4 S+ 0 0 0 -3,-1.0 3,-1.7 2,-0.2 -2,-0.2 0.953 118.0 24.1 -77.5 -67.1 22.4 72.7 18.6 16 17 A V H 3< S+ 0 0 0 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.838 126.7 55.1 -68.3 -24.8 20.5 72.0 21.8 17 18 A G T 3< S+ 0 0 15 -4,-1.8 2,-0.5 -5,-0.3 15,-0.3 0.381 73.3 127.4 -85.6 1.7 17.4 73.7 20.2 18 19 A W < - 0 0 53 -3,-1.7 -3,-0.1 1,-0.2 -4,-0.1 -0.458 48.2-158.2 -62.9 119.5 17.5 71.4 17.1 19 20 A T - 0 0 28 -2,-0.5 10,-2.1 8,-0.1 9,-1.6 0.534 36.8-103.6 -81.9 -9.1 13.9 70.2 17.0 20 21 A G + 0 0 0 1,-0.3 276,-0.1 7,-0.3 2,-0.1 0.148 66.4 145.7 105.6 -13.6 14.3 67.1 15.0 21 22 A A + 0 0 50 8,-0.1 -1,-0.3 2,-0.1 5,-0.2 -0.363 21.1 166.1 -63.2 125.7 13.0 68.0 11.6 22 23 A D B > -F 25 0B 66 3,-2.0 3,-0.7 -2,-0.1 -1,-0.0 -0.646 54.1 -83.4-125.6-170.6 15.1 66.1 9.0 23 24 A P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.793 128.6 38.3 -66.4 -29.5 14.6 65.5 5.2 24 25 A F T 3 S+ 0 0 204 1,-0.1 2,-0.3 2,-0.1 -3,-0.1 0.345 121.8 27.0-103.4 6.7 12.3 62.4 5.8 25 26 A G B < -F 22 0B 26 -3,-0.7 -3,-2.0 -5,-0.1 -1,-0.1 -0.999 69.2-103.8-164.8 164.7 10.3 63.8 8.9 26 27 A V - 0 0 119 -2,-0.3 -4,-0.1 -5,-0.2 -2,-0.1 -0.345 59.9 -67.3 -82.3 169.1 8.9 66.5 11.2 27 28 A A - 0 0 43 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.236 34.0-165.0 -55.1 145.7 10.2 67.8 14.5 28 29 A T S S+ 0 0 50 -9,-1.6 2,-0.3 270,-0.1 -8,-0.2 0.348 72.4 54.3-111.0 -6.9 10.1 65.3 17.4 29 30 A R S S- 0 0 17 -10,-2.1 2,-0.1 270,-0.1 -8,-0.1 -0.919 85.5-110.7-126.4 154.5 10.7 67.9 20.1 30 31 A K - 0 0 71 -2,-0.3 -2,-0.1 1,-0.2 2,-0.0 -0.363 52.2 -80.4 -78.0 157.9 9.0 71.3 21.0 31 32 A N - 0 0 144 -2,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.267 45.0-122.0 -61.5 148.6 10.8 74.5 20.4 32 33 A L - 0 0 24 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.1 -0.797 16.0-129.4 -94.0 131.5 13.3 75.6 23.0 33 34 A D > - 0 0 88 -2,-0.4 4,-1.5 1,-0.1 3,-0.3 -0.703 16.3-137.9 -76.1 133.7 12.9 79.0 24.8 34 35 A P H > S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.812 102.8 57.3 -57.8 -41.0 16.3 80.8 24.5 35 36 A V H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.917 109.0 46.5 -55.6 -49.6 16.1 82.0 28.1 36 37 A E H > S+ 0 0 83 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.840 108.6 55.6 -61.4 -37.5 15.8 78.4 29.1 37 38 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.918 110.0 47.2 -60.3 -47.3 18.8 77.4 26.8 38 39 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.900 115.0 43.6 -58.6 -51.8 20.9 80.0 28.5 39 40 A H H X S+ 0 0 71 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.926 114.4 49.8 -66.2 -48.9 20.0 79.0 32.1 40 41 A K H X S+ 0 0 54 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.893 112.2 46.3 -59.0 -45.7 20.3 75.2 31.4 41 42 A L H X>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-1.2 0.828 108.2 56.9 -67.3 -39.8 23.8 75.5 29.7 42 43 A A H ><5S+ 0 0 30 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.942 107.2 49.5 -62.3 -45.0 25.1 77.7 32.5 43 44 A E H 3<5S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.808 107.2 55.7 -67.2 -23.0 24.2 75.0 35.0 44 45 A L H 3<5S- 0 0 32 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.753 126.0 -94.7 -76.7 -26.1 26.0 72.3 32.9 45 46 A G T <<5 + 0 0 9 -4,-1.2 -36,-0.3 -3,-0.7 -38,-0.2 0.406 67.2 160.5 125.7 5.1 29.3 74.2 32.9 46 47 A A < - 0 0 4 -5,-2.5 -36,-0.2 1,-0.1 -1,-0.1 -0.079 32.4-157.9 -62.3 151.1 29.1 76.1 29.7 47 48 A Y - 0 0 56 -38,-2.5 36,-1.5 1,-0.3 2,-0.3 0.866 69.1 -13.7 -91.1 -49.3 31.3 79.1 29.1 48 49 A G E -bc 10 83A 0 -39,-1.8 -37,-1.1 34,-0.2 -1,-0.3 -0.934 53.5-124.5-154.5 175.5 29.1 80.8 26.4 49 50 A I E -b 11 0A 0 34,-2.1 37,-0.5 -2,-0.3 2,-0.3 -0.815 19.0-168.1-121.9 153.8 26.3 80.6 23.9 50 51 A T E +b 12 0A 0 -39,-1.6 -37,-2.1 -2,-0.3 2,-0.3 -0.937 10.7 174.5-138.6 158.7 26.4 81.4 20.1 51 52 A F E -g 87 0C 0 35,-0.7 37,-2.4 -2,-0.3 2,-0.3 -0.976 32.2-113.9-159.5 170.2 23.5 81.8 17.6 52 53 A H E >> -g 88 0C 16 -2,-0.3 3,-1.9 35,-0.2 4,-1.1 -0.837 45.5-106.7-102.6 146.1 22.4 82.7 14.1 53 54 A D H >> S+ 0 0 16 35,-1.6 4,-2.5 -2,-0.3 3,-0.8 0.837 120.0 43.6 -44.4 -55.9 20.4 85.9 13.7 54 55 A N H 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.489 95.6 73.8 -78.0 -1.0 17.1 83.9 13.1 55 56 A D H <4 S+ 0 0 55 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.930 120.5 17.8 -68.4 -42.9 17.7 81.3 15.8 56 57 A L H << S+ 0 0 9 -4,-1.1 -2,-0.2 -3,-0.8 -3,-0.1 0.878 130.2 43.3 -88.6 -60.3 16.7 84.2 18.1 57 58 A I S < S- 0 0 13 -4,-2.5 -1,-0.2 -5,-0.3 9,-0.1 -0.882 85.7-125.3-105.8 114.0 15.0 86.8 16.1 58 59 A P > - 0 0 57 0, 0.0 3,-1.2 0, 0.0 -3,-0.1 -0.131 19.7-118.3 -52.6 151.0 12.4 85.6 13.6 59 60 A F T 3 S+ 0 0 91 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.861 115.9 38.2 -56.6 -46.0 12.9 86.6 9.9 60 61 A D T 3 S+ 0 0 138 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 0.209 84.9 138.9 -89.1 2.9 9.5 88.4 10.0 61 62 A A < - 0 0 25 -3,-1.2 -4,-0.0 1,-0.1 2,-0.0 -0.248 48.4-132.8 -56.2 134.0 9.7 89.9 13.6 62 63 A T > - 0 0 80 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.255 31.4 -99.4 -76.5 175.2 8.5 93.5 14.0 63 64 A E H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.810 123.8 51.4 -67.8 -33.8 10.7 95.9 16.0 64 65 A A H > S+ 0 0 73 2,-0.2 4,-1.9 3,-0.2 3,-0.5 0.997 112.0 49.1 -67.6 -60.7 8.7 95.6 19.3 65 66 A E H > S+ 0 0 96 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.883 111.7 47.7 -45.0 -51.5 9.0 91.8 18.9 66 67 A R H X S+ 0 0 89 -4,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.890 110.8 52.4 -57.3 -46.4 12.8 92.1 18.3 67 68 A E H X S+ 0 0 129 -4,-2.0 4,-1.6 -3,-0.5 -1,-0.2 0.885 110.4 46.2 -60.0 -40.5 13.3 94.4 21.2 68 69 A K H >X S+ 0 0 128 -4,-1.9 4,-3.0 -3,-0.3 3,-0.6 0.979 111.7 51.3 -66.3 -53.6 11.5 92.1 23.7 69 70 A I H 3X S+ 0 0 37 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.846 112.8 46.3 -50.4 -50.7 13.3 89.0 22.5 70 71 A L H 3X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.767 110.8 51.8 -62.9 -35.5 16.6 90.8 22.9 71 72 A G H S- 0 0 77 -4,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.429 86.3-118.3 -68.4 148.8 14.3 81.2 3.7 95 96 A P G > S+ 0 0 94 0, 0.0 3,-2.4 0, 0.0 4,-0.1 0.839 110.0 73.0 -49.6 -34.7 13.3 80.2 0.1 96 97 A V G 3 S+ 0 0 40 1,-0.3 3,-0.5 2,-0.1 13,-0.1 0.857 93.9 54.6 -50.0 -39.6 15.0 83.5 -1.2 97 98 A F G X + 0 0 1 -3,-2.1 3,-2.3 1,-0.2 -1,-0.3 0.226 69.1 118.7 -83.1 16.9 18.4 81.8 -0.5 98 99 A K T < S+ 0 0 164 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.684 86.5 33.0 -56.9 -27.0 17.7 78.7 -2.7 99 100 A D T 3 S- 0 0 36 1,-0.6 41,-0.4 -3,-0.5 -1,-0.3 0.119 130.5 -80.4-111.5 9.9 20.7 79.6 -5.0 100 101 A G < - 0 0 0 -3,-2.3 -1,-0.6 39,-0.1 39,-0.1 -0.592 27.5-113.4 116.8 173.7 22.9 81.2 -2.3 101 102 A G S > S+ 0 0 0 -2,-0.2 3,-1.6 -3,-0.1 12,-0.2 0.577 109.5 20.4-107.3 -87.4 23.2 84.4 -0.5 102 103 A F T 3 S+ 0 0 10 1,-0.3 57,-0.1 11,-0.1 -2,-0.1 0.745 135.9 39.0 -52.4 -35.2 26.5 86.0 -1.6 103 104 A T T 3 S+ 0 0 3 52,-0.1 -1,-0.3 53,-0.0 37,-0.2 0.115 79.6 138.3-110.7 23.0 26.8 83.8 -4.8 104 105 A S < - 0 0 5 -3,-1.6 -4,-0.1 2,-0.2 -3,-0.1 -0.288 57.7-133.2 -60.9 153.2 23.1 83.8 -5.9 105 106 A N S S+ 0 0 105 -5,-0.1 2,-0.4 -6,-0.0 -1,-0.1 0.859 91.9 82.6 -73.4 -39.2 22.8 84.3 -9.7 106 107 A D S > S- 0 0 78 1,-0.1 4,-2.2 2,-0.0 -2,-0.2 -0.480 72.3-155.0 -73.2 123.0 20.1 86.9 -8.8 107 108 A R H > S+ 0 0 151 -2,-0.4 4,-1.8 2,-0.2 -1,-0.1 0.864 90.9 55.2 -68.1 -34.4 21.7 90.3 -8.0 108 109 A S H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.974 109.3 49.2 -69.4 -44.3 18.9 91.7 -5.8 109 110 A I H > S+ 0 0 32 1,-0.3 4,-3.4 2,-0.2 5,-0.4 0.943 106.8 56.3 -52.0 -47.4 19.2 88.5 -3.6 110 111 A R H X S+ 0 0 51 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.936 110.2 45.4 -55.3 -44.1 23.0 89.0 -3.4 111 112 A R H X S+ 0 0 152 -4,-1.8 4,-3.0 -3,-0.4 -2,-0.2 0.922 111.7 49.7 -69.8 -39.9 22.4 92.6 -2.0 112 113 A F H X S+ 0 0 90 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.974 111.3 52.1 -59.2 -49.4 19.7 91.5 0.5 113 114 A A H X S+ 0 0 0 -4,-3.4 4,-1.8 1,-0.3 -2,-0.2 0.940 112.7 42.8 -50.4 -53.5 22.2 88.8 1.6 114 115 A L H X S+ 0 0 33 -4,-2.3 4,-2.5 -5,-0.4 -1,-0.3 0.932 113.0 52.8 -62.9 -39.8 25.0 91.2 2.1 115 116 A A H X S+ 0 0 38 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.955 108.2 52.1 -57.1 -49.3 22.6 93.8 3.8 116 117 A K H X S+ 0 0 21 -4,-3.5 4,-1.5 1,-0.2 -1,-0.2 0.814 110.8 48.3 -57.8 -37.7 21.5 91.0 6.2 117 118 A V H X S+ 0 0 2 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.916 109.8 50.3 -69.7 -49.3 25.2 90.3 7.1 118 119 A L H X S+ 0 0 38 -4,-2.5 4,-1.4 2,-0.2 3,-0.5 0.966 110.8 48.5 -56.3 -50.3 26.2 93.9 7.7 119 120 A H H >X S+ 0 0 139 -4,-2.3 4,-1.6 1,-0.3 3,-0.7 0.953 111.2 52.2 -54.0 -51.3 23.2 94.5 10.1 120 121 A N H 3X S+ 0 0 6 -4,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.830 101.3 59.9 -58.5 -32.7 24.2 91.2 11.9 121 122 A I H 3X S+ 0 0 0 -4,-1.9 4,-2.0 -3,-0.5 -1,-0.2 0.908 104.4 52.2 -61.6 -40.0 27.9 92.5 12.3 122 123 A D H S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.3 4,-0.5 0.912 109.6 48.6 -54.6 -46.0 27.5 90.7 17.0 125 126 A A H ><5S+ 0 0 27 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.3 0.924 109.6 51.3 -66.0 -41.4 29.5 93.7 18.1 126 127 A E H 3<5S+ 0 0 128 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.945 108.1 54.8 -66.0 -41.8 26.7 94.8 20.6 127 128 A M T 3<5S- 0 0 23 -4,-3.1 -43,-0.4 -5,-0.1 -1,-0.3 0.528 115.5-115.0 -64.1 -11.4 26.8 91.2 22.0 128 129 A G T < 5 + 0 0 40 -3,-1.0 -3,-0.2 -4,-0.5 2,-0.1 0.661 57.0 161.0 83.5 16.9 30.5 91.3 22.8 129 130 A A < - 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