==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-FEB-11 2Y88 . COMPND 2 MOLECULE: PHOSPHORIBOSYL ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.KUPER,A.V.DUE,A.GEERLOF,M.WILMANNS . 244 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.2 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 . 19 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.3 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 2 1 0 1 2 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 1 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 M 0 0 207 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.8 21.9 3.6 18.0 2 3 A P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 241,-0.1 -0.223 360.0 -76.9 -66.7 166.5 21.4 5.0 14.6 3 4 A L - 0 0 5 239,-0.4 2,-0.3 205,-0.1 218,-0.3 -0.443 49.5-127.2 -59.7 128.0 24.1 5.2 12.0 4 5 A I E -a 221 0A 37 216,-2.4 218,-2.7 -2,-0.1 2,-0.5 -0.597 19.2-142.3 -79.0 139.1 26.5 8.0 12.7 5 6 A L E -a 222 0A 5 -2,-0.3 42,-0.6 216,-0.2 41,-0.5 -0.912 14.9-171.8-105.8 133.0 27.1 10.4 9.9 6 7 A L E -a 223 0A 0 216,-2.7 218,-1.7 -2,-0.5 42,-0.2 -0.849 13.7-149.5-123.8 95.8 30.6 11.9 9.3 7 8 A P E -a 224 0A 1 0, 0.0 42,-2.7 0, 0.0 2,-0.3 -0.420 24.5-127.3 -60.0 135.0 30.7 14.6 6.6 8 9 A A E -b 49 0A 2 216,-2.3 2,-0.4 40,-0.2 42,-0.2 -0.680 22.2-170.7 -85.6 141.9 34.2 14.5 5.0 9 10 A V E -b 50 0A 0 40,-3.0 42,-2.4 -2,-0.3 2,-0.5 -0.919 10.8-171.2-129.9 103.5 36.4 17.4 4.7 10 11 A N E -bC 51 17A 12 7,-0.6 7,-2.8 -2,-0.4 2,-0.5 -0.877 13.7-145.9-101.7 121.0 39.2 16.4 2.4 11 12 A V E +bC 52 16A 0 40,-3.1 42,-1.7 -2,-0.5 43,-1.2 -0.847 28.0 164.4-109.8 124.1 41.9 19.0 2.3 12 13 A V E > S- C 0 15A 11 3,-2.2 3,-2.2 -2,-0.5 21,-0.1 -0.987 82.7 -18.9-128.4 120.1 44.2 20.1 -0.5 13 14 A E T 3 S- 0 0 141 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.874 128.4 -51.7 47.3 45.7 46.0 23.4 -0.1 14 15 A G T 3 S+ 0 0 17 1,-0.2 19,-2.5 18,-0.1 20,-0.4 0.469 116.0 112.1 81.8 -1.2 43.7 24.5 2.5 15 16 A R E < S-CD 12 32A 91 -3,-2.2 -3,-2.2 17,-0.3 2,-0.6 -0.808 71.3-116.5-111.2 151.2 40.5 23.8 0.4 16 17 A A E +C 11 0A 0 15,-3.2 14,-3.4 -2,-0.3 2,-0.3 -0.759 50.4 164.5 -82.3 125.0 37.8 21.3 0.8 17 18 A V E -CD 10 29A 0 -7,-2.8 -7,-0.6 -2,-0.6 2,-0.3 -0.809 27.8-151.0-133.3 168.7 38.0 19.0 -2.3 18 19 A R E - D 0 28A 12 10,-2.2 10,-2.5 -2,-0.3 2,-0.3 -0.957 9.0-160.9-135.5 158.2 36.7 15.8 -3.6 19 20 A L E - 0 0 3 -2,-0.3 2,-0.6 8,-0.2 3,-0.2 -0.888 24.6-116.6-125.4 163.6 38.2 13.3 -6.1 20 21 A V E > S- D 0 23A 51 3,-0.6 3,-1.9 -2,-0.3 155,-0.2 -0.926 97.9 -16.3-102.8 119.9 36.8 10.5 -8.2 21 22 A Q T 3 S- 0 0 65 153,-3.4 -1,-0.2 -2,-0.6 154,-0.1 0.884 119.5 -69.2 52.5 38.5 38.3 7.2 -7.1 22 23 A G T 3 S+ 0 0 10 -3,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.548 94.8 145.0 66.0 12.9 41.1 9.1 -5.4 23 24 A K E X -D 20 0A 124 -3,-1.9 3,-1.8 1,-0.1 -3,-0.6 -0.722 48.5-141.3 -95.9 123.2 42.6 10.3 -8.7 24 25 A A E > S+ 0 0 55 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.802 93.7 63.7 -49.6 -40.5 44.1 13.7 -8.7 25 26 A G E 3 S+ 0 0 92 1,-0.3 -1,-0.3 -5,-0.1 -6,-0.0 0.547 98.2 59.1 -64.3 -8.1 42.9 14.8 -12.3 26 27 A S E < S+ 0 0 33 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.1 0.221 74.4 146.9-107.1 16.1 39.3 14.7 -11.1 27 28 A Q E < - 0 0 82 -3,-1.5 2,-0.3 -8,-0.1 -8,-0.2 -0.197 24.3-174.4 -64.7 132.4 39.5 17.2 -8.3 28 29 A T E -D 18 0A 49 -10,-2.5 -10,-2.2 2,-0.0 2,-0.4 -0.923 13.7-146.4-119.1 155.1 36.5 19.3 -7.5 29 30 A E E -D 17 0A 92 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.963 20.0-177.0-133.6 146.7 36.7 22.1 -4.9 30 31 A Y E - 0 0 68 -14,-3.4 2,-0.1 1,-0.4 -13,-0.1 -0.138 52.0 -86.8-137.6 38.3 34.2 23.5 -2.5 31 32 A G E S- 0 0 19 -15,-0.2 -15,-3.2 4,-0.1 -1,-0.4 -0.441 77.7 -9.0 91.6-172.2 35.8 26.3 -0.6 32 33 A S E > -D 15 0A 24 -17,-0.3 4,-2.3 1,-0.1 -17,-0.3 -0.388 55.6-131.8 -69.7 145.7 37.9 26.6 2.4 33 34 A A H > S+ 0 0 0 -19,-2.5 4,-2.6 1,-0.2 5,-0.2 0.891 107.5 52.2 -65.5 -38.3 38.3 23.6 4.5 34 35 A V H > S+ 0 0 19 -20,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.906 110.6 47.4 -64.7 -39.8 37.5 25.6 7.7 35 36 A D H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 112.2 50.9 -68.4 -38.6 34.3 26.9 6.2 36 37 A A H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.961 112.3 45.4 -60.4 -51.7 33.4 23.5 5.1 37 38 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.937 114.3 48.1 -58.0 -47.9 34.0 22.0 8.5 38 39 A L H X S+ 0 0 57 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.876 109.6 54.8 -64.6 -34.4 32.1 24.7 10.3 39 40 A G H X S+ 0 0 25 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.893 106.6 47.9 -62.7 -46.1 29.3 24.4 7.9 40 41 A W H <>S+ 0 0 28 -4,-2.2 5,-2.6 1,-0.2 4,-0.4 0.906 112.7 50.7 -65.2 -37.3 28.7 20.8 8.4 41 42 A Q H ><5S+ 0 0 35 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.934 108.7 51.3 -60.4 -46.4 28.9 21.5 12.2 42 43 A R H 3<5S+ 0 0 226 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.895 107.0 55.2 -55.7 -40.4 26.3 24.2 11.8 43 44 A D T 3<5S- 0 0 67 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.488 132.4 -87.8 -72.8 -8.5 24.1 21.8 9.9 44 45 A G T < 5 + 0 0 37 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.435 65.2 165.0 120.7 5.0 24.2 19.3 12.7 45 46 A A < - 0 0 4 -5,-2.6 -1,-0.2 1,-0.2 3,-0.1 -0.222 22.2-168.5 -57.0 137.7 27.3 17.1 12.2 46 47 A E S S+ 0 0 109 -41,-0.5 30,-1.9 1,-0.2 2,-0.3 0.686 78.0 22.1 -86.2 -26.1 28.3 15.1 15.3 47 48 A W E - e 0 76A 19 -42,-0.6 2,-0.4 28,-0.2 30,-0.2 -0.967 63.0-153.2-141.5 148.4 31.5 14.2 13.6 48 49 A I E - e 0 77A 0 28,-1.9 30,-2.7 -2,-0.3 2,-0.8 -0.995 13.1-147.1-122.1 133.2 33.8 15.5 10.8 49 50 A H E -be 8 78A 14 -42,-2.7 -40,-3.0 -2,-0.4 2,-0.6 -0.900 25.1-169.2 -98.9 102.0 36.1 13.1 8.9 50 51 A L E -be 9 79A 0 28,-3.0 30,-2.2 -2,-0.8 2,-0.5 -0.890 4.9-174.5-104.3 117.9 39.0 15.5 8.3 51 52 A V E -be 10 80A 15 -42,-2.4 -40,-3.1 -2,-0.6 2,-1.1 -0.934 24.2-147.8-121.9 130.2 41.6 14.2 5.8 52 53 A D E > +b 11 0A 5 28,-2.9 4,-2.2 -2,-0.5 -40,-0.1 -0.793 21.8 178.4 -88.8 94.8 44.9 15.8 4.9 53 54 A L H > S+ 0 0 25 -42,-1.7 4,-2.4 -2,-1.1 6,-0.2 0.868 77.4 57.5 -73.8 -29.3 45.0 14.6 1.3 54 55 A D H 4>S+ 0 0 3 -43,-1.2 5,-2.2 1,-0.2 6,-0.8 0.926 110.6 45.3 -63.0 -35.5 48.3 16.4 0.6 55 56 A A H >45S+ 0 0 14 2,-0.2 3,-1.1 1,-0.2 -1,-0.2 0.893 109.1 53.7 -75.8 -39.3 49.7 14.4 3.5 56 57 A A H 3<5S+ 0 0 17 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.902 111.9 46.5 -59.4 -38.7 48.2 11.2 2.3 57 58 A F T 3<5S- 0 0 47 -4,-2.4 -1,-0.3 86,-0.1 -2,-0.2 0.408 111.4-123.3 -82.5 -1.0 49.8 11.8 -1.2 58 59 A G T < 5S+ 0 0 61 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.749 83.0 109.9 71.2 24.5 53.2 12.6 0.5 59 60 A R S + 0 0 16 -2,-0.3 4,-2.7 -51,-0.1 3,-0.3 -0.003 49.1 128.1-117.5 23.9 47.9 21.1 5.9 63 64 A H H > + 0 0 47 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.877 67.9 49.4 -57.7 -46.6 48.5 20.1 9.5 64 65 A E H > S+ 0 0 150 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 113.6 46.5 -58.8 -40.4 48.4 23.7 11.0 65 66 A L H > S+ 0 0 40 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.931 111.0 52.4 -71.1 -35.2 45.2 24.4 9.3 66 67 A L H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.941 107.4 52.4 -67.0 -40.1 43.8 21.1 10.4 67 68 A A H X S+ 0 0 27 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.911 109.5 50.2 -58.8 -42.8 44.8 21.9 14.0 68 69 A E H X S+ 0 0 80 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.911 110.9 49.0 -60.1 -46.0 42.9 25.2 13.6 69 70 A V H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.951 111.7 47.5 -60.4 -49.6 39.9 23.4 12.3 70 71 A V H < S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.915 112.2 50.7 -57.8 -44.1 39.9 20.9 15.1 71 72 A G H < S+ 0 0 61 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.847 110.6 48.6 -64.4 -32.5 40.3 23.6 17.7 72 73 A K H < S+ 0 0 111 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.807 96.7 87.3 -81.5 -26.7 37.4 25.7 16.3 73 74 A L < - 0 0 14 -4,-2.0 4,-0.1 -5,-0.2 -35,-0.1 -0.491 56.2-164.3 -78.7 144.1 35.0 22.8 16.1 74 75 A D S S+ 0 0 148 -2,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.691 72.2 72.8 -87.7 -29.8 32.9 21.8 19.1 75 76 A V S S- 0 0 42 1,-0.1 2,-0.3 -30,-0.1 -28,-0.2 -0.168 96.1 -75.7 -86.3 179.3 32.1 18.4 17.6 76 77 A Q E -e 47 0A 101 -30,-1.9 -28,-1.9 21,-0.1 2,-0.5 -0.593 40.5-155.3 -85.6 138.1 34.2 15.4 17.2 77 78 A V E -e 48 0A 2 -2,-0.3 22,-1.6 -30,-0.2 21,-1.4 -0.955 11.1-160.1-116.4 132.3 36.9 15.1 14.6 78 79 A E E -ef 49 99A 0 -30,-2.7 -28,-3.0 -2,-0.5 2,-0.4 -0.955 25.7-163.0-103.0 118.3 38.3 12.0 13.1 79 80 A L E +ef 50 100A 6 20,-2.4 22,-2.1 -2,-0.6 2,-0.3 -0.863 16.3 159.5-112.8 138.1 41.7 13.1 11.6 80 81 A S E +ef 51 101A 16 -30,-2.2 -28,-2.9 -2,-0.4 -24,-0.1 -0.949 19.9 90.4-149.9 170.4 43.8 11.3 9.0 81 82 A G S S+ 0 0 20 20,-0.6 -25,-0.1 -2,-0.3 3,-0.1 0.523 90.8 14.2 106.4 116.4 46.5 11.7 6.4 82 83 A G S S+ 0 0 24 1,-0.2 2,-1.6 -27,-0.2 3,-0.2 0.496 74.2 142.1 81.0 5.2 50.2 11.3 6.9 83 84 A I + 0 0 8 18,-0.3 22,-0.3 1,-0.2 20,-0.3 -0.610 21.4 128.1 -88.3 91.3 49.9 9.7 10.3 84 85 A R + 0 0 49 -2,-1.6 2,-0.3 -3,-0.1 -1,-0.2 0.380 59.9 25.8-131.2 -1.3 52.8 7.3 9.8 85 86 A D S > S- 0 0 75 -3,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.923 87.3 -87.7-158.4 176.4 55.1 7.6 12.8 86 87 A D H > S+ 0 0 96 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.877 122.0 51.2 -62.6 -39.0 55.2 8.6 16.4 87 88 A E H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 114.4 41.6 -61.6 -50.6 55.8 12.3 15.7 88 89 A S H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.864 113.2 53.4 -75.6 -28.9 53.0 12.6 13.3 89 90 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.949 111.6 45.9 -64.8 -44.3 50.6 10.5 15.4 90 91 A A H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.876 110.9 52.6 -65.0 -36.5 51.3 12.8 18.4 91 92 A A H X S+ 0 0 35 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.897 110.7 48.7 -65.8 -42.3 50.9 15.9 16.3 92 93 A A H ><>S+ 0 0 3 -4,-2.0 3,-1.3 1,-0.2 5,-0.7 0.969 113.7 44.6 -59.0 -49.4 47.6 14.7 15.1 93 94 A L H ><5S+ 0 0 25 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.856 103.4 66.4 -66.8 -31.4 46.4 13.8 18.6 94 95 A A H 3<5S+ 0 0 87 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.641 86.1 71.3 -65.4 -16.1 47.7 17.1 19.9 95 96 A T T <<5S- 0 0 20 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.641 115.0-114.1 -66.9 -17.7 45.2 18.9 17.9 96 97 A G T < 5 + 0 0 60 -3,-2.3 -19,-0.2 1,-0.2 -2,-0.1 0.504 59.3 160.2 87.6 10.3 42.5 17.6 20.3 97 98 A C < - 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