==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-NOV-11 4A8L . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR K.DECANNIERE,L.-D.PATINO-LOPEZ,M.SLEUTEL,C.EVRARD,C.VAN DE W . 386 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 23 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 3 2 1 0 1 1 1 1 0 1 1 0 0 0 1 0 1 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 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 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 N 0 0 102 0, 0.0 310,-0.1 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 24.7 -5.2 -10.9 35.2 2 3 A Y + 0 0 57 1,-0.2 308,-0.2 308,-0.1 309,-0.1 0.840 360.0 173.1 61.8 44.5 -7.5 -10.7 32.1 3 4 A Q - 0 0 137 307,-0.1 -1,-0.2 1,-0.0 2,-0.1 -0.764 22.7-139.5 -93.7 122.6 -8.7 -14.3 32.2 4 5 A P - 0 0 19 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.438 19.0-173.9 -81.4 152.9 -11.4 -15.1 29.7 5 6 A T > - 0 0 71 -2,-0.1 3,-2.5 1,-0.0 5,-0.4 -0.910 44.3 -95.8-133.4 165.0 -14.4 -17.2 30.5 6 7 A P G > S+ 0 0 70 0, 0.0 3,-2.0 0, 0.0 42,-0.1 0.805 118.7 70.4 -55.2 -27.2 -17.1 -18.5 28.3 7 8 A E G 3 S+ 0 0 87 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.739 85.4 68.5 -63.1 -17.8 -19.3 -15.6 29.3 8 9 A D G < S- 0 0 41 -3,-2.5 -1,-0.3 38,-0.2 275,-0.2 0.569 102.2-133.7 -75.7 -9.6 -17.0 -13.4 27.3 9 10 A R < + 0 0 38 -3,-2.0 274,-2.4 -4,-0.3 2,-0.4 0.767 41.6 165.2 64.2 36.2 -18.2 -15.0 24.0 10 11 A F E -a 283 0A 1 -5,-0.4 38,-3.1 36,-0.3 39,-1.4 -0.651 11.2-178.1 -83.1 131.4 -14.8 -15.6 22.4 11 12 A T E -ab 284 49A 0 272,-2.1 274,-2.7 -2,-0.4 2,-0.3 -0.873 10.7-162.9-128.4 160.1 -15.0 -18.1 19.5 12 13 A F E -ab 285 50A 0 37,-1.2 39,-1.9 -2,-0.3 2,-0.2 -1.000 22.5-116.7-141.8 142.8 -12.4 -19.6 17.1 13 14 A G E >> - b 0 51A 0 272,-1.4 3,-1.9 -2,-0.3 4,-0.7 -0.463 22.8-126.5 -74.0 147.4 -12.6 -21.3 13.8 14 15 A L H 3> S+ 0 0 12 37,-2.6 4,-1.2 1,-0.3 -1,-0.1 0.871 112.6 58.6 -56.0 -33.4 -11.4 -24.9 13.6 15 16 A W H 34 S+ 0 0 40 36,-0.2 -1,-0.3 3,-0.2 37,-0.1 0.454 97.6 63.1 -77.2 -3.9 -9.1 -23.8 10.8 16 17 A T H X4 S+ 0 0 0 -3,-1.9 3,-2.0 2,-0.2 -2,-0.1 0.922 116.3 21.6 -84.7 -75.3 -7.3 -21.2 13.0 17 18 A V H 3< S+ 0 0 0 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.754 125.8 59.4 -60.9 -26.0 -5.6 -23.2 15.7 18 19 A G T 3< S+ 0 0 19 -4,-1.2 15,-0.4 -5,-0.4 -1,-0.3 0.452 72.9 124.7 -83.3 0.7 -5.9 -26.2 13.3 19 20 A W < - 0 0 53 -3,-2.0 -3,-0.1 1,-0.2 -4,-0.0 -0.429 51.5-154.2 -63.4 125.4 -3.8 -24.4 10.6 20 21 A Q - 0 0 47 -2,-0.3 9,-2.4 9,-0.1 10,-2.0 0.518 41.6-106.1 -82.6 -4.4 -0.9 -26.8 9.8 21 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 270,-0.1 0.547 64.2 151.5 96.0 7.4 1.4 -23.9 8.5 22 23 A R + 0 0 137 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.560 16.9 163.3 -71.1 132.5 1.3 -24.4 4.8 23 24 A D B > -F 26 0B 66 3,-1.8 3,-1.6 -2,-0.3 5,-0.0 -0.718 54.3 -71.2-135.9-166.5 1.9 -21.2 2.9 24 25 A P T 3 S+ 0 0 109 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.810 132.8 21.6 -58.1 -26.8 2.8 -19.9 -0.7 25 26 A F T 3 S+ 0 0 191 2,-0.1 2,-0.3 1,-0.0 -3,-0.0 0.077 117.3 65.3-130.8 17.5 6.3 -21.1 -0.2 26 27 A G B < -F 23 0B 15 -3,-1.6 -3,-1.8 0, 0.0 3,-0.1 -0.998 61.3-128.4-157.3 144.3 6.2 -23.7 2.5 27 28 A D - 0 0 136 -2,-0.3 -2,-0.1 -5,-0.2 -4,-0.0 -0.268 56.9 -65.4 -81.0 172.1 5.1 -27.1 3.6 28 29 A A - 0 0 36 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.255 36.9-170.6 -60.4 143.3 3.2 -27.9 6.9 29 30 A T S S+ 0 0 61 -9,-2.4 2,-0.3 1,-0.1 -8,-0.2 0.471 70.8 45.6-109.0 -6.1 5.1 -27.3 10.1 30 31 A R S S- 0 0 15 -10,-2.0 -1,-0.1 264,-0.1 -8,-0.1 -0.976 84.4-109.5-135.6 151.5 2.4 -28.9 12.4 31 32 A R - 0 0 115 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.312 49.1 -86.0 -68.0 159.9 0.4 -32.1 12.3 32 33 A A - 0 0 69 1,-0.1 2,-0.5 -12,-0.0 -1,-0.1 -0.336 42.2-133.3 -62.7 144.0 -3.3 -32.0 11.7 33 34 A L - 0 0 36 -15,-0.4 -1,-0.1 -19,-0.1 -15,-0.1 -0.874 12.1-125.6 -99.1 135.0 -5.5 -31.5 14.8 34 35 A D >> - 0 0 71 -2,-0.5 4,-1.9 1,-0.1 3,-1.0 -0.638 22.5-128.3 -66.9 131.6 -8.6 -33.6 15.5 35 36 A P H 3> S+ 0 0 28 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.825 109.0 62.1 -50.9 -33.4 -11.5 -31.1 15.9 36 37 A V H 3> S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.904 104.2 45.7 -58.2 -44.5 -12.3 -32.9 19.2 37 38 A E H <> S+ 0 0 68 -3,-1.0 4,-3.0 2,-0.2 5,-0.2 0.907 111.4 52.4 -69.6 -37.9 -8.9 -32.0 20.6 38 39 A S H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.931 108.9 50.5 -65.7 -40.4 -9.3 -28.3 19.4 39 40 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.929 113.4 45.5 -60.5 -45.4 -12.7 -28.1 21.2 40 41 A R H X S+ 0 0 46 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 115.6 45.7 -61.7 -45.6 -11.1 -29.4 24.4 41 42 A R H X S+ 0 0 72 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.894 113.9 48.2 -65.4 -44.3 -8.1 -27.2 24.2 42 43 A L H X>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.2 4,-0.5 0.917 110.1 52.0 -63.7 -40.6 -10.1 -24.0 23.4 43 44 A A H ><5S+ 0 0 27 -4,-2.4 3,-1.5 -5,-0.3 -1,-0.2 0.911 105.9 54.8 -61.4 -41.3 -12.5 -24.7 26.2 44 45 A E H 3<5S+ 0 0 148 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.850 105.3 54.2 -63.3 -29.9 -9.6 -25.1 28.7 45 46 A L H 3<5S- 0 0 47 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.567 126.8-100.4 -76.3 -11.3 -8.4 -21.6 27.6 46 47 A G T <<5 + 0 0 8 -3,-1.5 -36,-0.3 -4,-0.5 -38,-0.2 0.570 67.3 156.4 101.4 10.9 -11.9 -20.1 28.4 47 48 A A < - 0 0 2 -5,-2.4 -1,-0.2 -6,-0.1 -36,-0.2 -0.322 37.3-147.7 -65.4 158.1 -13.3 -19.9 24.8 48 49 A H - 0 0 48 -38,-3.1 36,-2.1 1,-0.2 2,-0.3 0.707 66.0 -28.3 -90.0 -36.5 -17.1 -19.9 24.4 49 50 A G E -bc 11 84A 0 -39,-1.4 -37,-1.2 34,-0.3 2,-0.3 -0.981 51.5-116.0-168.9-178.8 -17.3 -21.8 21.1 50 51 A V E -b 12 0A 0 34,-2.3 37,-0.5 -2,-0.3 2,-0.3 -0.898 15.2-153.1-134.4 162.0 -16.0 -22.8 17.8 51 52 A T E -b 13 0A 0 -39,-1.9 -37,-2.6 -2,-0.3 2,-0.3 -0.850 14.5-166.5-131.0 165.7 -16.9 -22.3 14.1 52 53 A F E -g 88 0C 0 35,-0.7 37,-2.2 -2,-0.3 2,-0.4 -0.999 25.3-131.0-153.8 148.8 -16.3 -24.4 11.0 53 54 A H E >> -g 89 0C 16 -2,-0.3 3,-2.1 35,-0.2 4,-1.3 -0.787 45.4-110.0 -80.5 149.2 -16.3 -24.7 7.3 54 55 A D H >> S+ 0 0 14 35,-1.7 4,-2.4 -2,-0.4 3,-0.7 0.885 118.9 50.0 -38.0 -54.0 -18.0 -27.8 6.1 55 56 A D H 34 S+ 0 0 41 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.539 101.9 61.0 -79.6 -2.7 -14.7 -29.4 5.0 56 57 A D H <4 S+ 0 0 48 -3,-2.1 -1,-0.3 3,-0.1 -2,-0.2 0.781 115.1 33.9 -84.8 -27.5 -12.9 -28.6 8.3 57 58 A L H << S+ 0 0 3 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.1 0.838 130.5 28.8 -92.4 -36.2 -15.4 -30.8 10.2 58 59 A I S < S- 0 0 7 -4,-2.4 -1,-0.3 -5,-0.3 3,-0.1 -0.988 92.7-117.3-125.5 114.1 -16.1 -33.5 7.6 59 60 A P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.299 43.3 -94.4 -51.0 142.4 -13.3 -34.2 5.1 60 61 A F T 3 S+ 0 0 96 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.235 111.6 24.0 -56.9 137.1 -14.3 -33.4 1.6 61 62 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 -6,-0.0 0.557 85.7 157.9 84.4 8.7 -15.7 -36.5 -0.2 62 63 A S < - 0 0 23 -3,-1.7 -1,-0.2 -4,-0.1 2,-0.1 -0.345 41.5-119.3 -64.3 147.9 -16.7 -38.4 3.0 63 64 A S > - 0 0 52 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.333 32.5-100.7 -74.9 170.4 -19.4 -41.1 2.8 64 65 A D H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 124.4 50.3 -62.3 -39.9 -22.6 -40.7 4.9 65 66 A S H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 111.2 47.6 -71.6 -37.1 -21.3 -43.1 7.5 66 67 A E H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 112.0 51.5 -61.7 -44.4 -18.0 -41.2 7.8 67 68 A R H X S+ 0 0 46 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.930 108.8 50.8 -56.9 -49.3 -20.0 -37.9 8.0 68 69 A E H X S+ 0 0 145 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.884 110.8 47.8 -60.2 -40.3 -22.2 -39.2 10.8 69 70 A E H X S+ 0 0 98 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.891 110.6 50.8 -69.4 -42.4 -19.2 -40.3 12.8 70 71 A H H X S+ 0 0 68 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.939 114.7 44.7 -58.8 -43.5 -17.3 -37.0 12.4 71 72 A V H X S+ 0 0 25 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.926 111.8 52.5 -68.2 -40.4 -20.4 -35.1 13.5 72 73 A K H X S+ 0 0 137 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.918 111.1 46.4 -61.1 -49.1 -21.1 -37.5 16.5 73 74 A R H X S+ 0 0 110 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.888 113.6 48.9 -62.1 -41.3 -17.5 -37.1 17.8 74 75 A F H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.943 109.7 51.2 -64.7 -43.8 -17.7 -33.3 17.5 75 76 A R H X S+ 0 0 94 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.875 108.3 53.0 -58.0 -41.7 -21.1 -33.2 19.2 76 77 A Q H X S+ 0 0 105 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.917 108.9 49.1 -62.4 -40.4 -19.6 -35.3 22.1 77 78 A A H X S+ 0 0 2 -4,-2.0 4,-1.3 2,-0.2 6,-0.3 0.915 111.4 49.1 -63.6 -41.8 -16.7 -32.8 22.4 78 79 A L H X>S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 5,-0.7 0.944 114.2 45.8 -60.3 -45.6 -19.2 -29.9 22.5 79 80 A D H <5S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.869 110.9 53.0 -68.6 -34.9 -21.3 -31.6 25.1 80 81 A D H <5S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.765 122.3 29.5 -67.8 -26.5 -18.2 -32.6 27.2 81 82 A T H <5S- 0 0 47 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.616 99.3-121.1-110.2 -20.3 -17.0 -29.0 27.3 82 83 A G T <5 + 0 0 43 -4,-2.4 -3,-0.2 1,-0.3 -4,-0.1 0.554 59.1 154.7 81.6 7.9 -20.1 -26.8 27.1 83 84 A M < - 0 0 4 -5,-0.7 -1,-0.3 -6,-0.3 -34,-0.3 -0.424 30.7-146.0 -69.7 146.9 -18.7 -25.2 23.9 84 85 A K B -c 49 0A 120 -36,-2.1 -34,-2.3 -3,-0.1 45,-0.1 -0.633 11.3-139.9-105.7 169.4 -21.2 -23.7 21.4 85 86 A V + 0 0 5 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.811 30.2 164.4-126.4 87.2 -21.2 -23.4 17.6 86 87 A P + 0 0 21 0, 0.0 45,-1.7 0, 0.0 46,-1.5 0.702 63.2 26.1 -84.1 -14.3 -22.5 -19.9 16.9 87 88 A M E + h 0 132C 1 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.996 57.5 178.1-147.4 145.9 -21.4 -19.7 13.2 88 89 A A E -gh 52 133C 0 44,-1.7 46,-2.2 -2,-0.3 2,-0.3 -0.930 6.7-177.5-142.2 168.8 -20.6 -22.0 10.3 89 90 A T E -gh 53 134C 4 -37,-2.2 -35,-1.7 -2,-0.3 2,-0.4 -0.932 25.0-105.2-156.1 175.0 -19.6 -21.5 6.7 90 91 A T - 0 0 9 44,-0.6 2,-1.1 -2,-0.3 46,-0.3 -0.880 22.9-127.5-112.0 144.2 -18.8 -23.3 3.4 91 92 A N + 0 0 11 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.770 42.1 155.8 -88.9 101.8 -15.5 -23.9 1.9 92 93 A L + 0 0 16 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.128 66.3 53.7-113.1 37.1 -16.0 -22.6 -1.7 93 94 A F S S+ 0 0 35 45,-0.1 -1,-0.1 8,-0.1 8,-0.1 0.634 90.0 60.2-140.7 -25.5 -12.3 -21.9 -2.2 94 95 A T S S+ 0 0 95 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.921 82.5 79.7 -79.8 -47.1 -9.9 -24.9 -1.6 95 96 A H S > S- 0 0 67 -4,-0.2 3,-2.5 1,-0.1 4,-0.0 -0.413 84.4-124.6 -63.6 139.8 -11.1 -27.5 -4.1 96 97 A P G > S+ 0 0 93 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.726 106.4 74.5 -55.0 -24.2 -9.7 -26.9 -7.7 97 98 A V G 3 S+ 0 0 51 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.819 94.2 53.8 -59.6 -26.4 -13.3 -26.9 -9.0 98 99 A F G X S+ 0 0 0 -3,-2.5 3,-2.2 1,-0.2 -1,-0.3 0.193 70.5 119.6 -91.7 20.7 -13.7 -23.4 -7.4 99 100 A K T < S+ 0 0 147 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.731 86.2 32.0 -62.2 -24.0 -10.6 -22.0 -9.2 100 101 A D T 3 S- 0 0 30 1,-0.5 41,-0.4 -3,-0.5 -1,-0.3 0.198 131.5 -74.9-109.0 13.5 -12.8 -19.4 -10.9 101 102 A G < - 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