==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-NOV-11 3UW2 . COMPND 2 MOLECULE: PHOSPHOGLUCOMUTASE/PHOSPHOMANNOMUTASE FAMILY PROT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 458 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 34 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 0 1 1 2 2 0 3 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 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 . 3 3 3 3 1 0 1 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 2 1 0 1 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 1 A M 0 0 202 0, 0.0 23,-0.1 0, 0.0 139,-0.0 0.000 360.0 360.0 360.0 142.8 10.2 -14.1 3.2 2 2 A I - 0 0 15 1,-0.1 2,-0.5 134,-0.1 18,-0.1 -0.277 360.0-130.1 -71.3 147.6 10.2 -12.5 -0.2 3 3 A S > - 0 0 42 16,-0.3 3,-1.3 1,-0.1 4,-0.2 -0.837 1.0-149.3-101.3 128.6 13.4 -11.9 -2.1 4 4 A Q G > S+ 0 0 84 -2,-0.5 3,-2.1 1,-0.2 -1,-0.1 0.799 90.3 76.9 -60.0 -31.7 14.0 -8.4 -3.6 5 5 A S G 3 S+ 0 0 64 1,-0.3 -1,-0.2 -3,-0.0 8,-0.1 0.649 84.2 61.9 -58.4 -17.3 16.0 -10.0 -6.4 6 6 A I G < S+ 0 0 2 -3,-1.3 7,-2.2 1,-0.1 2,-1.2 0.619 82.5 87.8 -84.4 -11.8 12.9 -11.2 -8.3 7 7 A F B < +A 12 0A 5 -3,-2.1 5,-0.2 5,-0.2 -1,-0.1 -0.769 67.4 177.7 -88.9 95.4 11.7 -7.6 -8.7 8 8 A K - 0 0 70 3,-1.8 413,-0.1 -2,-1.2 124,-0.1 -0.144 43.6 -89.5 -94.1-174.6 13.5 -6.8 -12.0 9 9 A A S S+ 0 0 28 411,-0.5 120,-2.7 1,-0.2 123,-0.2 0.896 119.9 14.0 -61.1 -40.9 13.5 -3.7 -14.2 10 10 A Y S S- 0 0 41 118,-0.2 110,-0.4 410,-0.1 2,-0.3 0.470 131.3 -8.5-122.0 -4.0 10.6 -4.6 -16.4 11 11 A D S S- 0 0 9 108,-0.1 -3,-1.8 -5,-0.1 2,-0.4 -0.882 72.9 -86.7-168.8-170.5 8.9 -7.5 -14.6 12 12 A I E +AB 7 118A 0 106,-1.8 106,-2.8 -2,-0.3 2,-0.3 -0.989 43.5 172.5-122.1 132.3 9.1 -10.0 -11.8 13 13 A R E + B 0 117A 79 -7,-2.2 2,-0.3 -2,-0.4 104,-0.2 -0.994 5.2 150.8-144.4 140.0 10.9 -13.3 -12.5 14 14 A G E - B 0 116A 5 102,-2.3 102,-2.2 -2,-0.3 2,-0.5 -0.891 41.5-101.4-160.1 176.1 11.9 -16.1 -10.1 15 15 A V E >>> - B 0 115A 16 -2,-0.3 4,-2.7 100,-0.2 3,-2.3 -0.961 40.7-111.8-119.1 122.4 12.6 -19.9 -9.9 16 16 A I B 345S+h 20 0B 58 98,-2.5 5,-0.2 -2,-0.5 98,-0.0 -0.172 102.2 16.5 -48.7 135.7 9.9 -22.3 -8.5 17 17 A G T 345S+ 0 0 71 3,-1.8 -1,-0.3 1,-0.1 4,-0.1 0.405 130.1 52.5 79.5 -4.8 10.9 -23.8 -5.2 18 18 A K T <45S- 0 0 157 -3,-2.3 -2,-0.2 2,-0.4 -1,-0.1 0.650 130.4 -7.8-126.2 -56.9 13.6 -21.2 -4.7 19 19 A T T <5S+ 0 0 42 -4,-2.7 2,-0.4 1,-0.2 -16,-0.3 0.413 125.0 56.5-119.2 -2.6 12.4 -17.7 -5.1 20 20 A L B < +h 16 0B 2 -5,-1.6 -3,-1.8 -18,-0.1 -2,-0.4 -0.990 55.1 132.4-135.7 135.7 8.9 -18.2 -6.3 21 21 A D > - 0 0 72 -2,-0.4 4,-2.4 -5,-0.2 5,-0.2 -0.896 69.1 -74.4-160.1-175.9 5.9 -20.2 -4.9 22 22 A A H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.862 128.0 53.9 -58.1 -40.4 2.2 -19.7 -4.2 23 23 A D H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 109.4 48.8 -62.4 -43.8 2.8 -17.5 -1.1 24 24 A V H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.931 111.1 49.0 -59.1 -47.7 5.0 -15.2 -3.3 25 25 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.928 110.9 51.1 -58.3 -45.9 2.3 -15.0 -6.0 26 26 A R H X S+ 0 0 92 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.922 110.1 47.9 -60.7 -45.0 -0.4 -14.2 -3.5 27 27 A S H X S+ 0 0 38 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.863 112.7 50.1 -65.8 -32.0 1.7 -11.3 -1.9 28 28 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.928 111.1 48.4 -72.4 -38.6 2.4 -10.0 -5.4 29 29 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.926 112.2 48.5 -65.4 -43.7 -1.3 -10.1 -6.2 30 30 A R H X S+ 0 0 58 -4,-2.6 4,-1.6 2,-0.2 115,-0.4 0.913 113.5 47.8 -60.4 -45.1 -2.2 -8.3 -3.0 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.933 115.7 43.1 -62.9 -48.5 0.5 -5.6 -3.6 32 32 A F H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.939 112.7 52.2 -66.5 -44.2 -0.6 -5.0 -7.2 33 33 A G H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.858 107.9 54.2 -59.4 -32.9 -4.3 -5.1 -6.4 34 34 A S H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.876 108.0 47.7 -67.0 -43.5 -3.6 -2.5 -3.7 35 35 A E H X S+ 0 0 56 -4,-1.6 4,-1.4 2,-0.2 6,-0.2 0.902 108.7 55.3 -66.6 -40.3 -1.9 -0.2 -6.2 36 36 A V H ><>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 3,-0.7 0.958 110.8 45.1 -54.2 -48.5 -4.9 -0.7 -8.6 37 37 A R H ><5S+ 0 0 91 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.856 107.1 57.9 -67.7 -32.1 -7.3 0.5 -5.8 38 38 A A H 3<5S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.773 108.6 47.7 -71.0 -22.8 -5.1 3.4 -4.9 39 39 A Q T <<5S- 0 0 72 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.283 126.3-105.1 -96.4 12.2 -5.4 4.6 -8.5 40 40 A G T < 5S+ 0 0 70 -3,-1.5 -3,-0.2 1,-0.3 2,-0.1 0.606 76.8 135.0 81.9 10.7 -9.2 4.1 -8.3 41 41 A G < - 0 0 17 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.497 34.0-172.1 -84.9 159.2 -9.3 0.8 -10.3 42 42 A D + 0 0 92 1,-0.2 29,-2.9 -2,-0.1 2,-0.3 0.306 58.5 49.8-133.1 14.6 -11.3 -2.2 -9.2 43 43 A A E -c 71 0A 6 27,-0.2 2,-0.3 106,-0.1 59,-0.3 -0.996 49.0-169.0-155.0 151.5 -10.5 -5.1 -11.6 44 44 A V E -c 72 0A 0 27,-2.2 29,-2.2 -2,-0.3 2,-0.4 -0.994 18.9-136.5-144.2 133.6 -7.6 -6.9 -13.1 45 45 A V E -cd 73 103A 0 57,-2.5 59,-2.4 -2,-0.3 2,-0.3 -0.704 24.0-163.1 -80.4 139.0 -7.4 -9.5 -15.9 46 46 A V E +cd 74 104A 0 27,-2.9 29,-2.4 -2,-0.4 30,-0.4 -0.932 14.7 163.6-123.3 151.5 -5.1 -12.5 -15.2 47 47 A A E - d 0 105A 0 57,-1.5 59,-3.5 -2,-0.3 2,-0.3 -0.951 16.0-153.0-153.2 166.9 -3.6 -15.0 -17.7 48 48 A R E -cd 77 106A 57 28,-1.7 30,-1.7 -2,-0.3 59,-0.2 -0.971 13.1-129.0-142.1 158.9 -0.9 -17.6 -17.8 49 49 A D - 0 0 2 57,-2.2 196,-0.1 -2,-0.3 57,-0.1 -0.120 50.4 -82.5 -89.3-160.3 1.4 -19.3 -20.3 50 50 A G S S+ 0 0 9 194,-0.4 159,-0.4 4,-0.1 2,-0.1 0.006 77.6 134.3-101.2 32.5 1.8 -23.1 -20.4 51 51 A R > - 0 0 3 1,-0.1 3,-1.1 157,-0.1 159,-0.1 -0.423 64.5-119.6 -79.9 153.4 4.3 -23.7 -17.6 52 52 A L T 3 S+ 0 0 107 61,-0.3 4,-0.4 157,-0.3 -1,-0.1 0.856 116.2 47.2 -61.3 -39.8 3.8 -26.5 -15.0 53 53 A S T 3> S+ 0 0 16 60,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.536 90.9 93.3 -74.7 -11.7 3.7 -24.0 -12.1 54 54 A G H <> S+ 0 0 0 -3,-1.1 4,-2.7 1,-0.2 5,-0.4 0.908 80.5 47.2 -49.3 -54.7 1.3 -21.8 -14.1 55 55 A P H > S+ 0 0 68 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.938 116.0 45.2 -63.9 -38.6 -2.1 -23.0 -12.8 56 56 A E H > S+ 0 0 129 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.936 116.1 44.7 -69.2 -48.3 -1.0 -22.9 -9.1 57 57 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.919 112.1 50.6 -64.9 -41.4 0.7 -19.4 -9.3 58 58 A V H X S+ 0 0 7 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.895 111.2 50.4 -66.8 -36.0 -2.2 -17.8 -11.3 59 59 A G H X S+ 0 0 31 -4,-1.7 4,-2.0 -5,-0.4 -1,-0.2 0.931 112.7 45.5 -62.5 -41.9 -4.7 -19.1 -8.7 60 60 A A H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.882 112.5 52.2 -67.9 -35.4 -2.5 -17.7 -5.8 61 61 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.948 109.0 49.1 -66.3 -46.8 -2.2 -14.4 -7.6 62 62 A A H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.866 108.1 54.0 -61.1 -41.9 -5.9 -14.2 -8.1 63 63 A D H X S+ 0 0 70 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.887 110.4 48.1 -55.1 -43.6 -6.5 -14.9 -4.4 64 64 A G H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.873 110.9 49.2 -68.2 -38.9 -4.1 -12.0 -3.5 65 65 A L H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-0.4 0.911 112.7 47.6 -67.3 -47.4 -5.8 -9.6 -5.9 66 66 A R H ><5S+ 0 0 87 -4,-2.5 83,-2.8 1,-0.2 3,-1.5 0.873 106.0 57.6 -63.4 -39.0 -9.2 -10.4 -4.5 67 67 A A H 3<5S+ 0 0 37 -4,-2.1 80,-2.0 1,-0.3 -1,-0.2 0.725 103.2 56.3 -58.2 -30.6 -8.0 -10.1 -0.8 68 68 A A T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 78,-0.2 0.462 127.6-104.2 -75.8 -7.2 -7.0 -6.4 -1.9 69 69 A G T < 5S+ 0 0 17 -3,-1.5 2,-0.4 78,-0.4 79,-0.2 0.627 78.1 134.9 94.0 17.4 -10.7 -5.9 -2.9 70 70 A V < - 0 0 0 -5,-2.1 -1,-0.3 79,-0.1 -27,-0.2 -0.817 54.7-125.4-102.8 129.8 -10.0 -6.1 -6.7 71 71 A D E -c 43 0A 33 -29,-2.9 -27,-2.2 -2,-0.4 2,-0.4 -0.559 25.9-142.6 -68.5 143.9 -12.3 -8.2 -9.0 72 72 A V E -ce 44 151A 1 78,-2.5 80,-1.5 -29,-0.2 2,-0.5 -0.914 14.1-166.5-115.6 131.7 -10.4 -10.8 -11.2 73 73 A V E -ce 45 152A 3 -29,-2.2 -27,-2.9 -2,-0.4 2,-0.7 -0.981 14.8-157.6-110.8 112.7 -11.2 -11.8 -14.8 74 74 A D E -ce 46 153A 12 78,-3.1 80,-2.7 -2,-0.5 -27,-0.2 -0.828 16.3-178.4 -98.1 110.3 -9.3 -14.9 -15.6 75 75 A V E - 0 0 6 -29,-2.4 81,-0.3 -2,-0.7 -28,-0.2 0.351 36.9-140.3 -92.8 5.7 -8.7 -15.4 -19.3 76 76 A G E - 0 0 28 -30,-0.4 -28,-1.7 79,-0.1 2,-0.7 -0.354 54.6 -10.1 82.0-149.6 -7.0 -18.8 -18.7 77 77 A M E S+c 48 0A 65 -30,-0.2 -28,-0.2 -3,-0.1 -27,-0.1 -0.783 84.0 135.5 -95.6 106.9 -3.9 -20.0 -20.6 78 78 A V - 0 0 10 -30,-1.7 107,-0.1 -2,-0.7 106,-0.1 -0.962 60.6 -79.1-145.3 157.3 -3.2 -17.7 -23.5 79 79 A P >> - 0 0 2 0, 0.0 3,-1.2 0, 0.0 4,-1.2 -0.277 50.8-108.1 -55.0 147.1 -0.2 -15.9 -25.2 80 80 A T H >> S+ 0 0 0 165,-2.3 4,-2.1 1,-0.2 3,-0.8 0.905 118.2 55.1 -44.8 -47.7 0.9 -12.8 -23.3 81 81 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.741 101.1 61.4 -68.6 -17.1 -0.4 -10.3 -25.9 82 82 A V H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.879 103.4 48.5 -71.1 -38.1 -3.8 -12.0 -25.6 83 83 A G H X S+ 0 0 3 -4,-2.1 3,-1.7 1,-0.2 4,-0.9 0.912 106.2 53.0 -67.1 -41.5 -5.7 -7.6 -25.7 86 86 A A H 3< S+ 0 0 0 -4,-2.3 14,-0.4 1,-0.3 3,-0.3 0.834 108.2 51.8 -60.4 -29.4 -8.2 -8.5 -22.9 87 87 A A T 3< S+ 0 0 7 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.448 110.4 52.2 -87.6 8.1 -7.0 -5.4 -21.0 88 88 A S T <4 S+ 0 0 32 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.580 104.8 47.0-116.4 -18.6 -7.6 -3.3 -24.2 89 89 A V S < S- 0 0 10 -4,-0.9 11,-0.5 -3,-0.3 9,-0.1 -0.909 89.3 -86.4-131.7 159.3 -11.2 -4.1 -25.2 90 90 A P - 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