==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)01-SEP-94 2GYI . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVOCHROMOGENES; . AUTHOR K.N.ALLEN,A.LAVIE,G.A.PETSKO,D.RINGE . 770 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.6 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 . 41 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 4 4 4 0 2 2 0 4 1 2 1 0 0 0 2 0 1 1 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 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 Y 0 0 99 0, 0.0 308,-0.1 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 61.1 11.2 32.4 -16.0 2 3 A Q - 0 0 165 307,-0.1 2,-0.1 304,-0.0 43,-0.1 -0.858 360.0-132.7-102.7 128.6 14.7 32.2 -14.8 3 4 A P + 0 0 19 0, 0.0 43,-0.1 0, 0.0 303,-0.0 -0.369 23.6 179.0 -74.9 160.0 15.4 29.8 -11.9 4 5 A T > - 0 0 44 -2,-0.1 3,-2.6 41,-0.0 5,-0.3 -0.925 50.7 -85.6-147.9 171.1 17.4 30.5 -8.6 5 6 A P G > S+ 0 0 69 0, 0.0 3,-1.7 0, 0.0 42,-0.1 0.738 119.1 75.1 -57.6 -20.1 18.2 28.3 -5.5 6 7 A E G 3 S+ 0 0 165 1,-0.3 40,-0.1 2,-0.1 41,-0.1 0.785 88.0 59.9 -62.4 -24.0 14.9 29.5 -4.0 7 8 A D G < S- 0 0 29 -3,-2.6 -1,-0.3 38,-0.2 275,-0.1 0.600 99.9-136.6 -83.2 -5.8 13.1 27.1 -6.4 8 9 A R < + 0 0 77 -3,-1.7 274,-3.2 -4,-0.2 2,-0.5 0.862 38.9 167.2 44.4 53.9 14.9 23.9 -5.0 9 10 A F E -a 282 0A 2 36,-0.3 38,-3.2 -5,-0.3 39,-0.9 -0.804 9.0-179.4 -96.1 124.5 15.6 22.4 -8.3 10 11 A T E -ab 283 48A 0 272,-2.0 274,-2.4 -2,-0.5 2,-0.3 -0.741 13.4-165.1-125.5 165.4 18.1 19.5 -8.2 11 12 A F E -ab 284 49A 0 37,-1.0 39,-1.2 -2,-0.2 274,-0.1 -0.927 22.7-121.8-154.3 126.1 19.7 17.1 -10.8 12 13 A G E >> - b 0 50A 0 272,-1.1 3,-1.6 -2,-0.3 4,-0.7 -0.365 25.7-121.4 -64.1 146.7 21.6 13.8 -10.4 13 14 A L H 3> S+ 0 0 13 37,-2.4 4,-1.0 1,-0.3 -1,-0.1 0.872 114.2 61.6 -52.3 -34.8 25.1 13.7 -11.8 14 15 A W H 34 S+ 0 0 40 36,-0.2 -1,-0.3 2,-0.1 37,-0.1 0.651 95.3 61.4 -67.9 -17.6 23.8 10.8 -13.9 15 16 A T H X4 S+ 0 0 0 -3,-1.6 3,-1.9 2,-0.2 -2,-0.2 0.993 115.6 23.6 -80.1 -72.1 21.2 12.9 -15.7 16 17 A V H 3< S+ 0 0 2 -4,-0.7 -2,-0.1 1,-0.3 -1,-0.1 0.700 121.6 63.4 -65.7 -17.8 23.2 15.7 -17.7 17 18 A G T 3< S+ 0 0 20 -4,-1.0 15,-0.3 -5,-0.3 -1,-0.3 0.311 71.1 129.2 -87.2 7.7 26.1 13.2 -17.5 18 19 A W < - 0 0 47 -3,-1.9 -3,-0.1 268,-0.2 -4,-0.0 -0.429 47.7-157.0 -65.7 123.9 24.4 10.6 -19.6 19 20 A Q - 0 0 55 -2,-0.3 10,-1.8 2,-0.1 9,-1.8 0.546 37.0-116.1 -82.5 -4.4 26.8 9.6 -22.4 20 21 A G + 0 0 0 1,-0.3 2,-0.4 7,-0.3 270,-0.1 0.612 60.6 147.4 84.8 12.4 23.9 8.3 -24.7 21 22 A R + 0 0 106 6,-0.1 -1,-0.3 8,-0.1 5,-0.2 -0.725 21.4 169.5 -79.3 130.0 24.6 4.6 -25.0 22 23 A D B > -F 25 0B 28 3,-0.9 3,-0.9 -2,-0.4 5,-0.0 -0.486 54.3 -68.2-119.3-162.0 21.1 3.0 -25.3 23 24 A P T 3 S+ 0 0 42 0, 0.0 384,-0.1 0, 0.0 456,-0.0 0.928 135.5 22.9 -58.3 -40.0 20.1 -0.7 -26.3 24 25 A F T 3 S+ 0 0 31 499,-0.1 2,-0.4 454,-0.1 -3,-0.0 0.114 115.4 81.0-114.5 25.1 21.3 -0.3 -29.9 25 26 A G B < -F 22 0B 8 -3,-0.9 -3,-0.9 546,-0.0 455,-0.2 -0.985 62.8-135.3-148.1 138.5 23.7 2.6 -29.6 26 27 A D - 0 0 61 453,-3.0 -2,-0.1 -2,-0.4 -4,-0.0 -0.494 54.0 -78.7 -76.4 158.1 27.2 3.5 -28.6 27 28 A A - 0 0 20 -2,-0.2 -7,-0.3 1,-0.1 -1,-0.1 -0.272 36.2-167.0 -59.3 133.4 27.8 6.5 -26.4 28 29 A T + 0 0 33 -9,-1.8 -8,-0.2 -3,-0.1 -1,-0.1 0.326 67.3 56.8 -99.6 -0.3 27.6 9.9 -28.3 29 30 A R S S- 0 0 18 -10,-1.8 2,-0.1 264,-0.1 -8,-0.1 -0.993 79.9-115.1-136.2 149.6 29.1 12.0 -25.5 30 31 A P - 0 0 105 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.433 49.1 -93.8 -65.4 148.2 32.3 12.2 -23.4 31 32 A A - 0 0 66 -2,-0.1 2,-0.4 1,-0.1 -13,-0.1 -0.260 42.4-124.9 -65.1 153.6 31.9 11.5 -19.6 32 33 A L - 0 0 39 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.1 -0.868 16.0-118.5 -97.9 137.8 31.4 14.8 -17.6 33 34 A D > - 0 0 99 -2,-0.4 4,-1.8 1,-0.1 3,-0.2 -0.612 21.7-134.1 -59.8 132.1 33.6 15.6 -14.7 34 35 A P H > S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.911 106.4 56.0 -49.0 -47.9 31.3 15.8 -11.6 35 36 A V H > S+ 0 0 36 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.859 106.1 50.8 -58.3 -37.0 33.0 19.1 -10.5 36 37 A E H > S+ 0 0 80 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 108.6 53.1 -64.4 -46.3 32.1 20.6 -14.0 37 38 A T H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.918 105.9 50.0 -59.9 -42.2 28.5 19.6 -13.5 38 39 A V H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.901 114.4 48.7 -69.0 -29.1 28.0 21.2 -10.1 39 40 A Q H X S+ 0 0 80 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.894 112.8 44.4 -68.0 -47.5 29.5 24.5 -11.7 40 41 A R H X S+ 0 0 74 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.900 115.7 46.9 -69.8 -38.7 27.3 24.4 -14.8 41 42 A L H X>S+ 0 0 0 -4,-2.5 5,-3.1 2,-0.2 4,-0.7 0.825 110.5 53.6 -71.1 -29.5 24.1 23.6 -12.8 42 43 A A H ><5S+ 0 0 29 -4,-1.6 3,-1.4 -5,-0.3 -2,-0.2 0.971 107.7 50.6 -66.3 -46.9 24.9 26.3 -10.3 43 44 A E H 3<5S+ 0 0 121 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.812 108.6 53.0 -60.7 -29.5 25.3 28.8 -13.1 44 45 A L H 3<5S- 0 0 55 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.625 128.1 -95.7 -83.2 -8.8 21.9 27.8 -14.5 45 46 A G T <<5 + 0 0 10 -3,-1.4 -36,-0.3 -4,-0.7 -38,-0.2 0.583 66.9 159.6 112.9 8.4 20.2 28.3 -11.2 46 47 A A < - 0 0 4 -5,-3.1 -36,-0.2 -6,-0.1 -1,-0.1 -0.076 40.3-143.2 -64.4 160.2 20.1 24.9 -9.5 47 48 A H - 0 0 29 -38,-3.2 36,-2.1 1,-0.3 2,-0.3 0.713 69.0 -54.5 -88.4 -41.5 19.8 24.2 -5.8 48 49 A G E -bc 10 83A 0 -39,-0.9 -37,-1.0 34,-0.3 -1,-0.3 -0.977 51.8 -94.8 178.3-176.8 22.2 21.2 -5.8 49 50 A V E -b 11 0A 0 34,-1.7 37,-0.3 -2,-0.3 2,-0.3 -0.819 20.8-155.1-120.9 160.7 23.1 17.8 -7.2 50 51 A T E -b 12 0A 0 -39,-1.2 -37,-2.4 -2,-0.3 2,-0.3 -0.843 16.6-173.7-120.5 172.8 22.4 14.2 -6.2 51 52 A F E -g 87 0C 0 35,-0.6 37,-1.8 -2,-0.3 2,-0.3 -0.974 28.1-122.7-158.5 165.3 24.5 11.1 -7.0 52 53 A H E >> -g 88 0C 10 -2,-0.3 3,-1.8 35,-0.2 4,-1.3 -0.806 45.5-107.8-102.2 148.1 24.8 7.3 -6.9 53 54 A D H >> S+ 0 0 12 35,-1.2 4,-2.3 -2,-0.3 3,-1.1 0.943 121.7 48.0 -40.4 -53.1 27.9 6.1 -5.0 54 55 A D H 34 S+ 0 0 40 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.503 101.5 66.7 -77.5 -1.1 29.5 5.0 -8.3 55 56 A D H <4 S+ 0 0 46 -3,-1.8 -1,-0.3 3,-0.1 -2,-0.2 0.830 113.8 28.2 -75.6 -41.7 28.6 8.3 -9.9 56 57 A L H << S+ 0 0 5 -4,-1.3 -2,-0.2 -3,-1.1 -3,-0.1 0.836 129.5 37.4 -91.8 -32.3 31.0 10.2 -7.6 57 58 A I S < S- 0 0 9 -4,-2.3 -1,-0.3 -5,-0.3 3,-0.1 -0.944 91.8-117.4-123.6 113.4 33.6 7.5 -6.9 58 59 A P > - 0 0 66 0, 0.0 3,-2.6 0, 0.0 2,-0.2 -0.107 40.1 -95.9 -54.1 137.7 34.5 5.1 -9.8 59 60 A F T 3 S+ 0 0 93 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.438 114.3 18.8 -60.0 125.8 33.6 1.4 -9.1 60 61 A G T 3 S+ 0 0 71 -2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.198 82.6 149.3 97.3 -5.2 36.8 -0.2 -7.8 61 62 A S < - 0 0 17 -3,-2.6 4,-0.2 1,-0.1 -2,-0.1 0.511 50.9-121.2 -32.6 -41.8 38.5 3.1 -6.8 62 63 A S >> - 0 0 75 3,-0.1 4,-2.2 2,-0.1 3,-1.6 0.424 36.1 -88.0 79.8 133.1 40.6 2.1 -3.8 63 64 A D H 3> S+ 0 0 109 1,-0.3 4,-1.1 2,-0.3 5,-0.1 0.772 125.5 49.2-125.2 16.3 40.0 3.8 -0.8 64 65 A T H 3> S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.915 111.4 49.9-125.7 -28.9 42.6 7.0 -1.5 65 66 A E H <> S+ 0 0 103 -3,-1.6 4,-2.3 2,-0.2 -2,-0.3 0.852 112.3 48.6 -70.3 -39.8 41.2 7.6 -5.0 66 67 A R H X S+ 0 0 36 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.944 108.8 52.8 -60.8 -51.4 37.9 7.5 -3.2 67 68 A E H X S+ 0 0 127 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.917 111.1 48.0 -48.2 -47.7 39.3 10.0 -0.7 68 69 A S H X S+ 0 0 10 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.920 108.1 50.5 -67.9 -44.9 40.3 12.2 -3.5 69 70 A H H X S+ 0 0 51 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.940 112.0 50.4 -62.5 -38.0 37.0 12.2 -5.5 70 71 A I H X S+ 0 0 31 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 109.3 49.8 -65.8 -39.7 35.2 13.1 -2.3 71 72 A K H X S+ 0 0 109 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.954 112.2 47.4 -68.4 -38.4 37.5 16.0 -1.4 72 73 A R H X S+ 0 0 101 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.929 112.9 48.9 -68.7 -38.8 37.2 17.6 -4.9 73 74 A F H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.907 111.4 50.5 -66.7 -47.2 33.4 17.2 -4.9 74 75 A R H X S+ 0 0 86 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.874 108.9 50.4 -55.0 -49.4 33.2 18.8 -1.4 75 76 A Q H X S+ 0 0 125 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.875 109.9 50.6 -61.8 -39.8 35.3 21.8 -2.4 76 77 A A H X S+ 0 0 9 -4,-2.2 4,-1.7 2,-0.2 6,-0.3 0.906 110.7 48.7 -69.7 -37.6 33.1 22.4 -5.5 77 78 A L H X>S+ 0 0 13 -4,-2.2 4,-2.0 1,-0.2 5,-1.2 0.954 113.0 48.4 -62.5 -44.3 29.9 22.3 -3.4 78 79 A D H <5S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 107.5 56.3 -65.7 -31.2 31.4 24.7 -0.9 79 80 A A H <5S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 119.5 28.6 -67.0 -38.6 32.5 26.9 -3.7 80 81 A T H <5S- 0 0 55 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.555 100.2-116.5-102.6 -9.0 29.0 27.3 -5.1 81 82 A G T <5 + 0 0 66 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.745 61.2 156.7 72.6 21.0 26.6 27.0 -2.2 82 83 A M < - 0 0 10 -5,-1.2 -34,-0.3 -6,-0.3 -1,-0.3 -0.637 29.4-146.5 -79.9 135.2 25.2 23.8 -4.0 83 84 A T B -c 48 0A 54 -36,-2.1 -34,-1.7 -2,-0.3 45,-0.1 -0.422 13.4-142.1 -98.7 173.0 23.5 21.3 -1.7 84 85 A V + 0 0 4 43,-0.3 -34,-0.1 -36,-0.2 3,-0.1 -0.827 28.5 166.2-135.4 83.6 23.3 17.5 -1.7 85 86 A P + 0 0 19 0, 0.0 46,-1.6 0, 0.0 45,-1.4 0.705 63.9 19.4 -76.5 -21.3 19.7 16.8 -0.5 86 87 A M E - h 0 131C 1 -37,-0.3 -35,-0.6 43,-0.2 2,-0.3 -0.991 58.2-174.4-149.2 151.5 19.6 13.1 -1.5 87 88 A A E -gh 51 132C 0 44,-1.8 46,-2.2 -2,-0.3 2,-0.3 -0.953 6.7-171.6-145.4 165.7 21.8 10.3 -2.4 88 89 A T E -gh 52 133C 2 -37,-1.8 -35,-1.2 -2,-0.3 2,-0.3 -0.878 21.9-112.5-148.7 173.1 21.3 6.7 -3.6 89 90 A T - 0 0 11 44,-0.7 2,-0.8 -2,-0.3 46,-0.3 -0.883 21.5-128.2-114.1 148.8 23.2 3.5 -4.3 90 91 A N + 0 0 11 -2,-0.3 4,-0.1 1,-0.1 46,-0.1 -0.861 42.0 152.8 -98.5 106.4 23.9 1.9 -7.7 91 92 A L + 0 0 16 -2,-0.8 47,-0.4 44,-0.3 -1,-0.1 -0.205 65.4 56.0-122.7 42.7 22.8 -1.7 -7.4 92 93 A F S S+ 0 0 12 45,-0.1 318,-0.1 46,-0.1 320,-0.1 0.552 88.6 62.6-147.4 -25.8 22.0 -2.2 -11.2 93 94 A T S S+ 0 0 41 318,-0.2 319,-2.1 3,-0.0 -2,-0.1 0.928 86.0 73.1 -75.3 -46.2 25.1 -1.5 -13.4 94 95 A H S > S- 0 0 67 317,-0.2 3,-1.9 -4,-0.1 4,-0.1 -0.475 85.5-123.4 -74.3 136.8 27.6 -4.0 -12.4 95 96 A P G > S+ 0 0 35 0, 0.0 3,-2.5 0, 0.0 4,-0.2 0.774 106.2 73.9 -48.2 -27.0 26.9 -7.7 -13.5 96 97 A V G 3 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 4,-0.0 0.855 99.4 50.4 -55.7 -24.7 27.0 -9.0 -9.7 97 98 A F G X S+ 0 0 0 -3,-1.9 3,-2.1 1,-0.2 -1,-0.3 0.410 74.3 112.9 -87.6 0.1 23.6 -7.3 -9.7 98 99 A K T < S+ 0 0 71 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.668 90.0 33.3 -55.2 -22.0 22.2 -9.0 -12.9 99 100 A D T 3 S- 0 0 29 1,-0.4 41,-0.5 -3,-0.4 -1,-0.3 0.378 131.5 -74.8-108.3 1.0 19.6 -10.9 -10.7 100 101 A G < - 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