==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 05-MAR-10 3M1P . COMPND 2 MOLECULE: RIBOSE 5-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR A.NAWORYTA,S.L.MOWBRAY,A.L.STERN . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 2 2 2 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 6 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 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 . 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 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 0 232 0, 0.0 2,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 -39.7 12.9 53.2 17.7 2 2 A T - 0 0 93 29,-0.0 2,-0.5 27,-0.0 29,-0.2 -0.370 360.0-122.4 -77.2 169.3 16.1 52.2 15.8 3 3 A R E -a 31 0A 66 27,-3.8 29,-2.5 -2,-0.1 2,-0.2 -0.947 14.5-140.4-126.8 115.6 17.6 48.7 16.3 4 4 A R E -a 32 0A 106 -2,-0.5 59,-1.9 27,-0.2 60,-1.8 -0.461 13.9-167.3 -75.7 140.7 21.2 48.2 17.4 5 5 A V E -ab 33 64A 0 27,-2.8 29,-2.5 58,-0.2 2,-0.3 -0.928 10.7-148.3-133.2 104.4 23.1 45.3 15.8 6 6 A A E -ab 34 65A 0 58,-2.7 60,-2.7 -2,-0.4 2,-0.5 -0.559 12.8-156.2 -78.9 136.5 26.4 44.4 17.5 7 7 A I E +ab 35 66A 0 27,-3.0 29,-3.4 -2,-0.3 2,-0.3 -0.945 15.7 171.4-117.2 129.0 29.1 43.1 15.2 8 8 A G E + b 0 67A 0 58,-3.1 60,-2.0 -2,-0.5 2,-0.3 -0.953 0.8 170.7-129.6 154.6 32.0 40.8 16.1 9 9 A T E - b 0 68A 0 -2,-0.3 60,-0.2 58,-0.2 2,-0.2 -0.931 24.6-131.1-143.1 168.3 34.7 38.9 14.2 10 10 A D > - 0 0 10 58,-0.9 4,-0.6 -2,-0.3 35,-0.1 -0.422 53.9 -73.1-102.8-165.0 37.9 36.9 14.7 11 11 A H H >> S+ 0 0 51 33,-0.3 3,-1.2 1,-0.2 4,-0.6 0.918 126.5 45.4 -61.7 -53.3 41.1 37.6 12.8 12 12 A P H >4 S+ 0 0 25 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.847 115.1 49.5 -62.8 -31.8 40.4 36.2 9.2 13 13 A A H >4 S+ 0 0 0 1,-0.2 3,-1.5 55,-0.2 -2,-0.2 0.523 87.9 85.7 -82.1 -8.6 37.0 37.9 9.2 14 14 A F H X< S+ 0 0 37 -3,-1.2 3,-2.0 -4,-0.6 4,-0.3 0.891 77.7 67.3 -56.7 -39.6 38.5 41.2 10.2 15 15 A A T << S+ 0 0 78 -3,-0.6 -1,-0.3 -4,-0.6 4,-0.1 0.705 107.1 40.1 -53.6 -20.8 39.3 41.9 6.5 16 16 A I T <> S+ 0 0 11 -3,-1.5 4,-2.1 1,-0.1 -1,-0.3 0.224 78.6 108.8-115.9 16.1 35.5 42.2 5.9 17 17 A H H <> S+ 0 0 31 -3,-2.0 4,-2.2 1,-0.2 -2,-0.1 0.838 80.6 52.2 -68.0 -31.7 34.3 44.1 9.0 18 18 A E H > S+ 0 0 142 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.894 107.7 54.4 -65.9 -41.9 33.6 47.3 7.0 19 19 A N H > S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.931 108.3 48.6 -49.5 -52.1 31.5 45.0 4.7 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.912 110.2 50.2 -60.1 -45.9 29.5 43.8 7.7 21 21 A I H X S+ 0 0 37 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.950 114.1 46.2 -55.7 -50.8 29.0 47.3 9.0 22 22 A L H X S+ 0 0 93 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.904 108.9 54.1 -58.2 -46.1 27.8 48.3 5.5 23 23 A Y H X S+ 0 0 9 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.853 106.6 52.7 -61.8 -34.9 25.5 45.2 5.1 24 24 A V H >< S+ 0 0 0 -4,-1.9 3,-0.6 2,-0.2 4,-0.4 0.940 110.5 47.0 -64.0 -47.8 23.7 46.0 8.3 25 25 A K H >< S+ 0 0 115 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.878 105.9 60.3 -59.1 -37.9 23.0 49.6 7.1 26 26 A E H 3< S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 91.8 67.0 -64.2 -29.3 21.8 48.1 3.8 27 27 A A T << S- 0 0 6 -4,-1.2 -1,-0.3 -3,-0.6 2,-0.2 0.734 125.3 -59.2 -58.0 -25.0 19.1 46.2 5.6 28 28 A G X - 0 0 15 -3,-1.6 3,-1.8 -4,-0.4 -1,-0.3 -0.659 44.1 -93.7 150.6 152.3 17.5 49.6 6.4 29 29 A D T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.728 116.8 68.3 -58.5 -26.5 18.1 53.0 8.1 30 30 A E T 3 S+ 0 0 83 -28,-0.1 -27,-3.8 -3,-0.1 2,-0.6 0.561 84.6 85.1 -70.7 -8.7 16.5 51.6 11.3 31 31 A F E < -a 3 0A 5 -3,-1.8 -27,-0.2 -6,-0.2 -3,-0.2 -0.864 62.6-165.0-101.7 120.1 19.5 49.2 11.8 32 32 A V E -a 4 0A 57 -29,-2.5 -27,-2.8 -2,-0.6 2,-0.2 -0.889 12.4-140.9-108.5 112.7 22.5 50.6 13.6 33 33 A P E -a 5 0A 26 0, 0.0 2,-0.5 0, 0.0 -27,-0.2 -0.493 12.3-168.0 -71.2 136.3 25.8 48.7 13.4 34 34 A V E -a 6 0A 26 -29,-2.5 -27,-3.0 -2,-0.2 2,-0.6 -0.932 16.2-146.7-123.6 98.9 27.8 48.6 16.7 35 35 A Y E +a 7 0A 64 -2,-0.5 -27,-0.2 -29,-0.2 -29,-0.1 -0.601 33.6 157.0 -78.3 119.3 31.2 47.3 15.8 36 36 A C + 0 0 13 -29,-3.4 -28,-0.2 -2,-0.6 -1,-0.1 0.080 39.2 105.7-126.3 17.7 32.7 45.2 18.7 37 37 A G S S- 0 0 4 -30,-0.3 -27,-0.1 1,-0.2 -29,-0.1 -0.203 85.1 -50.1 -91.9-173.7 35.2 43.1 16.8 38 38 A P - 0 0 5 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 -0.249 40.4-143.3 -60.5 144.5 39.0 43.4 16.7 39 39 A K S S+ 0 0 195 -3,-0.1 2,-0.2 2,-0.0 -2,-0.0 0.659 83.8 26.7 -79.0 -17.0 40.3 46.9 16.0 40 40 A T S S- 0 0 74 2,-0.1 -26,-0.1 3,-0.0 0, 0.0 -0.819 91.0 -96.4-139.4 177.4 43.2 45.4 14.0 41 41 A A S S+ 0 0 72 -2,-0.2 3,-0.1 -27,-0.1 -27,-0.1 0.407 74.5 132.0 -79.4 0.6 44.2 42.3 11.9 42 42 A E - 0 0 122 1,-0.1 2,-0.1 -28,-0.0 -2,-0.1 -0.156 69.2 -92.7 -54.6 144.1 45.9 40.6 14.9 43 43 A S + 0 0 83 -33,-0.1 2,-0.2 -32,-0.1 -1,-0.1 -0.395 54.4 172.2 -60.8 129.0 45.2 37.0 15.8 44 44 A V - 0 0 17 -2,-0.1 2,-0.6 -3,-0.1 -33,-0.3 -0.797 36.3-105.9-131.4 173.2 42.3 36.6 18.3 45 45 A D >> - 0 0 11 -2,-0.2 3,-1.2 1,-0.1 4,-0.7 -0.938 24.0-141.7-106.5 122.3 40.2 33.8 19.9 46 46 A Y H >> S+ 0 0 16 -2,-0.6 4,-2.7 1,-0.2 3,-0.7 0.811 94.4 64.4 -53.7 -39.2 36.7 33.7 18.5 47 47 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.839 97.0 58.7 -57.7 -32.1 35.0 32.8 21.9 48 48 A D H <> S+ 0 0 75 -3,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.843 113.6 36.0 -63.3 -39.7 36.0 36.2 23.4 49 49 A F H S+ 0 0 21 -4,-1.3 5,-2.1 -5,-0.3 6,-1.1 0.903 112.3 44.6 -57.4 -43.6 25.2 42.5 24.7 57 57 A V H ><5S+ 0 0 9 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.945 114.8 47.6 -65.0 -50.4 22.3 40.6 23.1 58 58 A A H 3<5S+ 0 0 29 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.902 113.8 46.4 -58.2 -44.6 21.5 38.7 26.3 59 59 A R T 3<5S- 0 0 185 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.507 114.1-123.8 -75.0 -5.1 21.7 42.0 28.4 60 60 A K T < 5S+ 0 0 182 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.665 71.5 134.0 67.8 22.4 19.5 43.6 25.6 61 61 A E S S+ 0 0 0 38,-0.1 4,-2.0 17,-0.1 5,-0.1 0.249 81.0 108.1 87.3 -11.1 31.1 30.6 11.9 73 73 A I H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.950 79.2 43.1 -64.6 -52.6 30.8 27.2 13.7 74 74 A G H > S+ 0 0 3 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.881 111.9 55.8 -61.0 -42.0 32.8 28.2 16.8 75 75 A M H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 109.3 46.4 -51.9 -45.5 31.0 31.5 16.9 76 76 A S H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 11,-0.2 0.825 114.3 47.4 -74.0 -32.2 27.6 29.7 16.9 77 77 A I H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.966 116.2 43.2 -68.6 -52.5 28.8 27.3 19.6 78 78 A A H >< S+ 0 0 0 -4,-3.2 3,-1.3 1,-0.2 4,-0.2 0.935 114.2 49.4 -58.6 -50.8 30.3 30.0 21.9 79 79 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.2 0.835 105.8 56.5 -61.8 -36.7 27.4 32.5 21.5 80 80 A N H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.642 91.3 72.5 -71.0 -15.0 24.7 29.9 22.3 81 81 A K T << S+ 0 0 15 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.579 81.7 86.4 -71.6 -11.9 26.4 29.2 25.6 82 82 A V S X S- 0 0 0 -3,-1.4 3,-1.8 -4,-0.2 220,-0.1 -0.817 91.1-117.7 -91.1 122.4 25.1 32.6 26.7 83 83 A P T 3 S+ 0 0 53 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.371 98.9 28.5 -63.6 139.6 21.5 32.3 28.1 84 84 A G T 3 S+ 0 0 32 1,-0.3 2,-0.4 -4,-0.1 -4,-0.1 0.202 96.0 117.6 95.5 -13.5 18.9 34.3 26.1 85 85 A V < - 0 0 0 -3,-1.8 2,-0.4 -6,-0.2 -1,-0.3 -0.705 41.1-175.8 -92.8 136.3 21.0 33.9 22.9 86 86 A R - 0 0 40 -2,-0.4 21,-2.0 -3,-0.1 20,-1.9 -0.868 16.2-174.9-126.8 94.7 19.7 32.1 19.8 87 87 A A E -d 107 0A 0 -2,-0.4 2,-0.6 -11,-0.2 21,-0.2 -0.849 6.2-160.8-103.2 120.5 22.7 32.1 17.5 88 88 A A E -d 108 0A 0 19,-3.2 21,-3.2 -2,-0.6 2,-0.8 -0.893 12.3-146.2-108.8 116.7 22.1 30.7 14.0 89 89 A L E -d 109 0A 8 -2,-0.6 2,-0.3 19,-0.2 21,-0.2 -0.736 30.3-172.7 -76.5 113.3 24.9 29.7 11.7 90 90 A C + 0 0 1 19,-2.7 21,-0.3 -2,-0.8 3,-0.1 -0.878 28.7 175.1-114.5 147.0 23.6 30.5 8.2 91 91 A H + 0 0 38 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.265 69.8 9.1-128.4 2.3 25.1 29.8 4.8 92 92 A D S > S- 0 0 51 1,-0.1 4,-1.6 28,-0.1 -1,-0.1 -0.960 86.8 -80.4-165.6-176.9 22.3 31.1 2.5 93 93 A H H > S+ 0 0 93 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.880 119.3 54.4 -63.8 -44.0 19.1 33.1 2.2 94 94 A Y H > S+ 0 0 82 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.943 110.2 42.9 -60.4 -54.9 16.9 30.2 3.3 95 95 A T H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 114.1 54.1 -59.1 -37.3 18.6 29.4 6.6 96 96 A A H X S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.930 113.6 41.1 -62.4 -45.7 18.9 33.2 7.3 97 97 A A H >X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 3,-0.6 0.935 116.6 47.4 -67.4 -46.8 15.1 33.6 6.8 98 98 A M H 3X>S+ 0 0 25 -4,-2.9 4,-2.9 1,-0.2 5,-1.0 0.777 102.2 63.1 -70.8 -29.1 14.1 30.5 8.7 99 99 A S H 3<5S+ 0 0 0 -4,-2.1 6,-2.7 -5,-0.2 4,-0.3 0.848 114.3 36.3 -59.7 -35.7 16.4 31.2 11.7 100 100 A R H -c 69 0A 0 -21,-0.3 4,-2.7 -2,-0.3 3,-0.4 -0.941 7.5-164.8-108.7 119.7 31.9 31.9 7.8 112 112 A E T 4 S+ 0 0 47 -43,-3.8 -42,-0.2 -2,-0.6 -41,-0.2 0.775 95.5 48.5 -64.4 -32.0 34.3 34.2 5.8 113 113 A R T 4 S+ 0 0 154 -43,-2.6 -1,-0.2 -44,-0.5 -42,-0.2 0.595 121.7 34.0 -85.7 -14.0 36.3 31.2 4.6 114 114 A T T 4 S+ 0 0 41 -44,-0.7 2,-0.4 -3,-0.4 -2,-0.2 0.746 113.1 51.9-109.6 -35.8 33.1 29.3 3.5 115 115 A T S < S- 0 0 15 -4,-2.7 -1,-0.2 2,-0.0 -23,-0.1 -0.903 80.9-119.2-118.2 128.7 30.6 31.8 2.3 116 116 A G >> - 0 0 50 -2,-0.4 4,-2.3 1,-0.1 3,-1.2 -0.337 29.5-112.9 -63.8 147.8 31.2 34.5 -0.4 117 117 A V H 3> S+ 0 0 54 1,-0.3 4,-3.1 2,-0.2 5,-0.1 0.819 115.9 56.6 -51.7 -36.1 30.8 38.2 0.8 118 118 A E H 3> S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.817 109.9 44.8 -70.9 -28.1 27.7 38.7 -1.5 119 119 A V H <> S+ 0 0 54 -3,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.850 111.8 52.6 -77.0 -37.1 26.0 35.7 0.1 120 120 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.939 108.8 51.5 -60.3 -45.3 27.1 37.1 3.6 121 121 A R H X S+ 0 0 76 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.937 111.8 45.6 -51.0 -52.3 25.5 40.4 2.5 122 122 A E H X S+ 0 0 83 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.884 112.2 51.9 -61.5 -43.0 22.3 38.5 1.6 123 123 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.942 110.8 46.7 -58.3 -50.8 22.3 36.6 4.8 124 124 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.939 115.6 45.3 -61.9 -46.0 22.7 39.7 7.0 125 125 A I H X S+ 0 0 21 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.929 115.0 46.6 -63.0 -48.5 20.0 41.6 5.2 126 126 A T H X S+ 0 0 13 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.906 112.6 50.9 -60.5 -44.6 17.5 38.7 5.2 127 127 A F H < S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.932 114.7 42.2 -56.7 -49.4 18.2 38.0 8.9 128 128 A L H < S+ 0 0 3 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.882 119.8 42.6 -70.8 -36.7 17.6 41.6 9.9 129 129 A Q H < S+ 0 0 112 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.706 92.6 90.7 -83.3 -24.5 14.5 42.1 7.7 130 130 A T S < S- 0 0 26 -4,-2.1 2,-0.1 -5,-0.2 3,-0.0 -0.637 70.2-139.8 -81.7 122.5 12.7 38.8 8.2 131 131 A P - 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