==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-NOV-11 3UW1 . COMPND 2 MOLECULE: RIBOSE-5-PHOSPHATE ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 232 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 14.2 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 0 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 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 . 2 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 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 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 3 A L 0 0 118 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.9 40.3 56.5 85.5 2 4 A L + 0 0 155 0, 0.0 2,-0.4 0, 0.0 220,-0.0 -0.933 360.0 176.8-112.5 121.1 38.6 58.9 83.0 3 5 A M - 0 0 45 -2,-0.5 2,-0.1 4,-0.0 219,-0.0 -0.980 20.5-138.5-122.3 135.2 40.5 60.3 80.1 4 6 A T > - 0 0 72 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.345 33.5-103.2 -78.4 169.7 39.0 62.5 77.4 5 7 A Q H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 124.3 52.9 -61.1 -41.8 39.9 62.1 73.7 6 8 A D H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 108.8 49.8 -60.9 -40.9 42.2 65.1 74.0 7 9 A E H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 109.5 50.9 -64.7 -36.3 44.0 63.6 77.0 8 10 A L H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.879 108.5 52.3 -68.5 -38.2 44.4 60.3 75.1 9 11 A K H X S+ 0 0 21 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.905 109.6 49.2 -63.1 -42.0 45.9 62.2 72.1 10 12 A R H X S+ 0 0 155 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.916 108.5 54.7 -61.4 -43.3 48.4 63.9 74.5 11 13 A L H X S+ 0 0 49 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.917 112.3 41.6 -56.7 -46.6 49.3 60.4 76.0 12 14 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.851 111.2 55.9 -76.1 -30.5 50.2 59.0 72.6 13 15 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.930 111.6 44.2 -61.0 -43.9 52.0 62.1 71.5 14 16 A E H X S+ 0 0 66 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.901 111.4 53.5 -65.9 -40.8 54.2 61.8 74.6 15 17 A A H X S+ 0 0 11 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.845 108.5 50.5 -63.1 -37.1 54.7 58.1 74.0 16 18 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.873 106.2 53.5 -70.0 -38.4 55.8 58.8 70.5 17 19 A A H X S+ 0 0 8 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.916 110.9 48.0 -61.1 -38.2 58.3 61.3 71.6 18 20 A R H X S+ 0 0 126 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.882 108.1 54.6 -68.3 -36.3 59.7 58.7 74.0 19 21 A Y H X S+ 0 0 33 -4,-1.9 4,-1.8 2,-0.2 5,-0.3 0.936 110.0 47.6 -60.3 -46.7 59.7 56.1 71.1 20 22 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.3 0.950 112.7 47.0 -59.7 -48.3 61.8 58.6 69.1 21 23 A T H < S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.8 45.5 -64.7 -30.9 64.3 59.3 72.0 22 24 A D H < S+ 0 0 128 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.759 128.5 21.9 -80.6 -27.8 64.6 55.5 72.6 23 25 A N H < S+ 0 0 83 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.2 0.581 106.9 72.2-120.8 -16.5 65.0 54.4 69.0 24 26 A V S < S- 0 0 4 -4,-2.8 -1,-0.1 -5,-0.3 3,-0.1 -0.924 77.1-125.3-114.8 121.3 66.3 57.3 66.9 25 27 A P > - 0 0 79 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.176 35.6 -82.6 -68.1 155.9 69.9 58.4 67.3 26 28 A Q T 3 S+ 0 0 149 1,-0.2 26,-0.2 26,-0.1 25,-0.1 -0.211 113.8 29.9 -48.8 137.5 71.0 62.0 68.1 27 29 A G T 3 S+ 0 0 40 24,-3.1 -1,-0.2 1,-0.3 25,-0.2 0.349 87.6 139.0 94.1 -4.9 71.2 64.2 65.0 28 30 A A < - 0 0 22 -3,-1.6 25,-1.9 23,-0.4 26,-1.0 -0.227 53.5-124.4 -69.5 159.9 68.5 62.5 63.1 29 31 A V E -a 54 0A 22 24,-0.2 54,-0.5 52,-0.2 2,-0.4 -0.915 28.3-144.4-100.9 131.0 65.8 64.2 61.0 30 32 A I E -a 55 0A 0 24,-2.3 26,-2.2 -2,-0.5 2,-0.4 -0.813 6.5-132.1-102.3 133.8 62.3 63.2 62.1 31 33 A G E -ab 56 85A 0 53,-2.2 55,-2.2 -2,-0.4 2,-0.5 -0.707 28.3-158.4 -82.9 129.1 59.3 62.7 59.7 32 34 A V E -ab 57 86A 0 24,-2.7 26,-1.5 -2,-0.4 55,-0.2 -0.941 3.0-151.7-123.6 126.2 56.3 64.5 61.1 33 35 A G - 0 0 0 53,-2.7 2,-0.3 -2,-0.5 25,-0.3 0.209 18.1-108.5 -77.2-162.7 52.6 63.9 60.4 34 36 A T + 0 0 20 24,-0.1 54,-0.5 54,-0.1 4,-0.2 -0.969 60.0 49.2-138.4 144.4 49.5 66.2 60.4 35 37 A G S > S- 0 0 33 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.585 91.8 -53.6 119.5-177.1 46.5 66.6 62.6 36 38 A S H > S+ 0 0 62 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.879 132.5 45.1 -68.9 -37.7 45.4 67.0 66.2 37 39 A T H > S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.935 112.7 51.6 -72.0 -43.9 47.2 63.9 67.4 38 40 A A H > S+ 0 0 0 1,-0.2 4,-2.7 -4,-0.2 -2,-0.2 0.863 104.5 58.8 -57.2 -35.1 50.3 64.8 65.4 39 41 A N H X S+ 0 0 41 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.871 102.6 52.2 -66.3 -34.7 50.2 68.2 67.0 40 42 A C H X S+ 0 0 32 -4,-1.3 4,-1.8 -3,-0.4 -1,-0.2 0.892 109.9 49.7 -63.7 -39.1 50.4 66.6 70.5 41 43 A F H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.921 108.1 53.4 -63.9 -44.7 53.5 64.7 69.2 42 44 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.941 108.4 49.4 -56.1 -45.7 55.0 68.0 67.9 43 45 A D H X S+ 0 0 54 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.883 114.4 45.1 -61.8 -39.2 54.6 69.6 71.3 44 46 A A H >< S+ 0 0 18 -4,-1.8 3,-0.9 1,-0.2 4,-0.5 0.897 110.9 52.8 -72.3 -40.0 56.3 66.6 73.0 45 47 A L H >< S+ 0 0 5 -4,-3.3 3,-1.8 1,-0.2 4,-0.3 0.877 98.8 65.8 -61.3 -35.1 59.1 66.4 70.4 46 48 A A H >< S+ 0 0 10 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.832 92.8 61.5 -58.2 -30.7 59.8 70.1 71.1 47 49 A A T << S+ 0 0 88 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.729 116.0 30.8 -70.0 -21.1 60.8 69.2 74.6 48 50 A V T X S+ 0 0 47 -3,-1.8 3,-1.9 -4,-0.5 -1,-0.3 0.145 83.1 120.0-119.2 18.8 63.6 67.0 73.2 49 51 A K G X + 0 0 76 -3,-1.0 3,-2.0 -4,-0.3 -2,-0.1 0.759 59.1 73.6 -62.2 -24.8 64.4 68.9 70.0 50 52 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.695 91.9 57.5 -65.1 -15.5 68.0 69.7 70.9 51 53 A R G < S+ 0 0 102 -3,-1.9 -24,-3.1 -25,-0.1 -23,-0.4 0.486 102.4 65.2 -91.8 -1.9 68.9 66.0 70.2 52 54 A Y S < S- 0 0 21 -3,-2.0 -23,-0.2 -26,-0.2 3,-0.1 -0.891 72.7-137.3-125.4 151.5 67.6 66.2 66.6 53 55 A R - 0 0 150 -25,-1.9 19,-0.3 -2,-0.3 2,-0.3 0.860 67.4 -83.7 -71.7 -35.1 68.7 68.1 63.5 54 56 A G E -a 29 0A 5 -26,-1.0 -24,-2.3 17,-0.1 2,-0.3 -0.973 47.4 -77.6 160.8-152.4 65.1 68.9 62.5 55 57 A A E -ac 30 73A 0 17,-2.6 19,-3.0 -2,-0.3 2,-0.5 -0.953 13.9-131.3-144.9 154.2 62.1 67.5 60.7 56 58 A V E -a 31 0A 3 -26,-2.2 -24,-2.7 -2,-0.3 2,-0.4 -0.966 38.0-142.0-103.4 132.3 60.5 66.8 57.4 57 59 A S E -a 32 0A 4 17,-0.5 19,-0.2 -2,-0.5 -24,-0.1 -0.762 19.4-159.4-104.0 143.0 56.9 68.1 57.4 58 60 A S S S+ 0 0 0 -26,-1.5 51,-0.3 -2,-0.4 2,-0.3 0.388 75.4 17.2 -95.1 -0.1 53.8 66.7 55.9 59 61 A S S > S- 0 0 5 -26,-0.2 4,-2.5 -27,-0.1 5,-0.2 -0.992 71.9-110.0-162.0 160.3 51.8 69.9 55.7 60 62 A V H > S+ 0 0 77 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.931 119.9 51.7 -54.2 -47.7 51.7 73.7 55.9 61 63 A A H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 110.6 47.6 -58.6 -44.2 50.0 73.5 59.3 62 64 A T H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.910 109.8 52.6 -65.8 -39.9 52.7 71.1 60.6 63 65 A T H X S+ 0 0 22 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.943 108.9 50.5 -60.7 -44.1 55.5 73.3 59.3 64 66 A E H X S+ 0 0 133 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.910 112.9 46.2 -60.1 -41.5 54.0 76.3 61.0 65 67 A R H X S+ 0 0 88 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.910 112.3 49.4 -69.9 -42.1 53.8 74.4 64.3 66 68 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.3 1,-0.2 3,-1.3 0.946 112.5 48.8 -58.2 -47.4 57.3 72.9 64.0 67 69 A K H ><5S+ 0 0 137 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.851 101.3 62.9 -64.1 -33.2 58.6 76.4 63.3 68 70 A S H 3<5S+ 0 0 91 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.738 106.6 47.2 -64.0 -18.8 56.7 77.9 66.3 69 71 A H T <<5S- 0 0 57 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.294 120.3-109.9-101.4 3.0 58.9 75.6 68.4 70 72 A G T < 5 + 0 0 63 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.764 67.1 150.2 74.2 25.2 62.1 76.6 66.7 71 73 A I < - 0 0 12 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.2 -0.801 48.4-120.3 -91.2 129.1 62.4 73.2 65.0 72 74 A R - 0 0 130 -2,-0.5 -17,-2.6 -19,-0.3 2,-0.5 -0.447 23.3-150.4 -70.1 135.4 64.2 73.3 61.6 73 75 A V B -c 55 0A 37 -19,-0.2 2,-0.4 -2,-0.2 -17,-0.2 -0.941 8.3-161.7-112.3 126.8 62.2 72.0 58.7 74 76 A F - 0 0 7 -19,-3.0 -17,-0.5 -2,-0.5 2,-0.2 -0.867 23.7-117.5-105.0 136.5 63.9 70.4 55.7 75 77 A D > - 0 0 90 -2,-0.4 3,-2.2 1,-0.1 4,-0.3 -0.506 30.1-121.0 -64.5 140.4 62.4 70.0 52.2 76 78 A L G > S+ 0 0 38 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.816 110.2 66.3 -59.5 -31.0 62.1 66.2 51.5 77 79 A N G 3 S+ 0 0 154 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.715 97.2 57.1 -63.3 -20.1 64.3 66.6 48.4 78 80 A E G < S+ 0 0 119 -3,-2.2 2,-0.5 1,-0.0 -1,-0.3 0.510 96.7 77.2 -80.9 -10.9 67.2 67.5 50.7 79 81 A I < - 0 0 29 -3,-2.0 3,-0.1 -4,-0.3 -1,-0.0 -0.912 56.0-168.3-117.0 122.8 66.9 64.3 52.7 80 82 A E S S- 0 0 199 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.756 73.7 -1.8 -81.2 -26.5 68.2 61.0 51.5 81 83 A S - 0 0 79 -5,-0.0 2,-0.4 35,-0.0 -1,-0.2 -0.988 53.4-153.0-159.8 159.0 66.5 58.8 54.1 82 84 A L E - d 0 116A 3 33,-0.6 35,-2.3 -2,-0.3 36,-0.2 -0.992 4.7-161.9-137.7 130.4 64.2 58.9 57.2 83 85 A Q E S+ 0 0 57 -54,-0.5 35,-2.0 -2,-0.4 2,-0.4 0.883 76.7 24.0 -74.4 -42.5 64.2 56.3 59.9 84 86 A V E - d 0 118A 0 -55,-0.4 -53,-2.2 33,-0.2 2,-0.4 -0.962 49.4-171.7-135.4 146.5 60.8 57.3 61.3 85 87 A Y E -bd 31 119A 0 33,-2.4 35,-3.0 -2,-0.4 2,-0.5 -0.990 15.0-164.0-132.2 120.0 57.5 59.0 60.4 86 88 A V E +bd 32 120A 0 -55,-2.2 -53,-2.7 -2,-0.4 2,-0.3 -0.949 26.5 142.8-111.2 120.8 55.1 59.7 63.2 87 89 A D E - d 0 121A 0 33,-2.2 35,-2.3 -2,-0.5 -52,-0.1 -0.971 41.5-115.9-154.8 159.6 51.5 60.5 62.2 88 90 A G - 0 0 7 -54,-0.5 2,-0.3 -2,-0.3 35,-0.2 -0.143 24.0-146.9 -84.0-173.8 47.9 60.1 63.1 89 91 A A - 0 0 5 33,-0.4 11,-0.2 1,-0.1 3,-0.1 -0.980 21.2-138.5-154.3 149.9 45.1 58.2 61.1 90 92 A D S S- 0 0 36 9,-2.4 2,-0.3 1,-0.3 10,-0.2 0.856 95.6 -4.1 -75.3 -36.8 41.4 58.7 60.7 91 93 A E E -G 99 0B 14 8,-1.5 8,-1.9 -3,-0.1 2,-0.3 -0.980 61.6-167.8-150.5 154.0 41.1 54.9 61.0 92 94 A I E -Gh 98 128B 0 35,-2.4 37,-2.6 -2,-0.3 6,-0.2 -0.994 11.9-155.6-142.6 135.5 43.4 51.9 61.4 93 95 A D > - 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