==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-JUL-03 1O4V . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE MUTASE PURE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 13.6 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 . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 2 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 0 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 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 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 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 P 0 0 44 0, 0.0 28,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.9 39.2 3.9 8.9 2 3 A R E -a 29 0A 119 53,-0.5 55,-2.9 26,-0.1 56,-1.1 -0.996 360.0-163.9-145.0 138.7 36.4 6.3 9.9 3 4 A V E -ab 30 58A 0 26,-1.4 28,-1.8 -2,-0.4 2,-0.5 -0.960 12.8-145.9-118.7 137.8 32.6 6.3 9.6 4 5 A G E -ab 31 59A 0 54,-2.1 56,-3.3 -2,-0.4 2,-0.6 -0.919 11.5-164.2-101.9 123.8 30.3 9.4 10.0 5 6 A I E +ab 32 60A 0 26,-2.5 28,-2.5 -2,-0.5 2,-0.3 -0.965 17.0 173.9-110.1 116.3 26.9 8.7 11.5 6 7 A I E +ab 33 61A 0 54,-2.8 56,-2.5 -2,-0.6 2,-0.3 -0.856 11.7 174.3-123.5 154.3 24.4 11.5 11.1 7 8 A M E -ab 34 62A 3 26,-0.9 28,-2.1 -2,-0.3 56,-0.2 -0.976 31.4-130.9-153.6 154.3 20.7 12.1 11.8 8 9 A G S S+ 0 0 12 54,-1.0 2,-0.4 -2,-0.3 28,-0.1 0.759 88.3 29.4 -81.2 -22.5 18.4 15.0 11.5 9 10 A S > - 0 0 28 53,-0.2 3,-1.6 26,-0.1 4,-0.2 -0.974 69.2-129.2-142.0 145.3 16.8 14.8 14.9 10 11 A D G > S+ 0 0 114 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.734 107.1 75.3 -69.0 -12.3 17.8 13.6 18.3 11 12 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.745 92.2 55.8 -65.1 -20.4 14.5 11.6 18.2 12 13 A D G X> S+ 0 0 12 -3,-1.6 4,-2.7 1,-0.2 3,-0.6 0.533 83.0 89.0 -85.5 -10.6 16.4 9.4 15.7 13 14 A L H <> S+ 0 0 75 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.851 76.3 60.7 -65.2 -41.1 19.2 8.7 18.2 14 15 A P H 34 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.879 116.6 35.4 -49.8 -38.0 17.6 5.6 19.9 15 16 A V H X4 S+ 0 0 19 -3,-0.6 3,-1.8 -4,-0.2 4,-0.3 0.935 117.2 50.4 -79.9 -49.7 17.7 3.9 16.5 16 17 A M H >X S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 4,-1.0 0.766 92.9 73.5 -67.5 -26.0 20.9 5.3 15.1 17 18 A K H 3X S+ 0 0 92 -4,-2.5 4,-2.5 1,-0.3 -1,-0.3 0.734 84.3 73.1 -56.8 -21.0 23.0 4.4 18.2 18 19 A Q H <> S+ 0 0 70 -3,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.830 93.3 50.7 -65.6 -34.0 22.7 0.9 16.9 19 20 A A H <> S+ 0 0 0 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 0.908 109.4 50.7 -66.9 -41.6 25.2 1.6 14.2 20 21 A A H X S+ 0 0 6 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.946 108.1 53.5 -59.1 -44.8 27.6 3.1 16.7 21 22 A E H X S+ 0 0 89 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.897 110.0 46.4 -61.6 -43.8 27.3 -0.0 18.9 22 23 A I H X S+ 0 0 6 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.920 111.6 51.0 -61.5 -45.9 28.2 -2.4 16.0 23 24 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 4,-0.3 0.910 109.5 50.8 -61.9 -40.9 31.1 -0.2 14.9 24 25 A E H ><5S+ 0 0 117 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.875 107.2 54.4 -59.4 -41.0 32.4 -0.2 18.5 25 26 A E H 3<5S+ 0 0 107 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.878 112.2 44.3 -61.0 -36.5 32.1 -4.0 18.5 26 27 A F T 3<5S- 0 0 6 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.430 113.6-118.2 -86.5 0.6 34.3 -4.1 15.4 27 28 A G T < 5 + 0 0 52 -3,-1.1 2,-0.5 -4,-0.3 -3,-0.2 0.777 62.4 150.1 62.7 31.0 36.8 -1.6 16.7 28 29 A I < - 0 0 8 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.1 -0.824 45.6-125.8 -99.9 129.4 36.0 0.9 13.9 29 30 A D E +a 2 0A 96 -28,-0.8 -26,-1.4 -2,-0.5 2,-0.3 -0.443 40.0 162.1 -74.6 143.9 36.4 4.6 14.7 30 31 A Y E -a 3 0A 66 -28,-0.2 2,-0.3 -2,-0.1 -26,-0.2 -0.970 32.8-137.9-152.9 163.6 33.3 6.8 14.1 31 32 A E E -a 4 0A 57 -28,-1.8 -26,-2.5 -2,-0.3 2,-0.4 -0.933 15.8-162.2-121.8 149.7 31.7 10.2 14.9 32 33 A I E +a 5 0A 64 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.996 25.6 141.7-134.0 125.8 28.0 10.5 15.6 33 34 A T E -a 6 0A 46 -28,-2.5 -26,-0.9 -2,-0.4 2,-0.5 -0.902 48.7 -90.9-153.1 176.0 26.3 13.9 15.4 34 35 A I E +a 7 0A 81 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.882 37.3 165.6-101.5 129.8 23.1 15.8 14.3 35 36 A V - 0 0 0 -28,-2.1 2,-0.6 -2,-0.5 -26,-0.1 -0.924 18.9-158.9-142.6 110.2 22.8 17.2 10.8 36 37 A S > - 0 0 7 -2,-0.3 4,-1.8 1,-0.2 8,-0.4 -0.860 10.0-159.6 -98.6 119.6 19.3 18.2 9.8 37 38 A A T 4 S+ 0 0 13 -2,-0.6 -1,-0.2 1,-0.2 8,-0.1 0.860 95.3 34.2 -58.1 -38.8 18.6 18.4 6.0 38 39 A H T 4 S+ 0 0 117 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.786 127.0 33.2 -96.8 -29.6 15.7 20.7 6.7 39 40 A R T 4 S+ 0 0 175 1,-0.2 -2,-0.2 -31,-0.1 3,-0.1 0.667 132.2 27.0-100.4 -24.0 16.7 22.8 9.7 40 41 A T X + 0 0 52 -4,-1.8 4,-2.1 1,-0.1 -1,-0.2 -0.482 69.2 154.7-130.2 64.4 20.4 23.1 9.1 41 42 A P H > S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.857 74.0 51.4 -62.9 -38.8 20.8 22.8 5.3 42 43 A D H > S+ 0 0 142 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.898 109.2 52.8 -61.8 -43.8 24.1 24.7 5.1 43 44 A R H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 108.3 50.3 -57.4 -42.6 25.5 22.4 7.8 44 45 A M H X S+ 0 0 11 -4,-2.1 4,-2.5 -8,-0.4 5,-0.2 0.926 110.7 48.8 -58.3 -49.4 24.5 19.4 5.8 45 46 A F H X S+ 0 0 107 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.924 113.8 46.5 -56.6 -47.2 26.2 20.8 2.6 46 47 A E H X S+ 0 0 126 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.867 111.0 52.2 -64.9 -41.4 29.4 21.5 4.6 47 48 A Y H X S+ 0 0 20 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.935 113.2 43.8 -60.3 -50.1 29.4 18.1 6.2 48 49 A A H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 3,-0.4 0.913 113.8 50.0 -63.8 -45.3 29.0 16.2 3.0 49 50 A K H < S+ 0 0 86 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.857 118.4 37.8 -59.1 -39.6 31.6 18.4 1.1 50 51 A N H X S+ 0 0 78 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.502 87.2 93.1 -97.1 -2.5 34.3 18.0 3.8 51 52 A A T <>S+ 0 0 0 -4,-1.0 5,-2.2 -3,-0.4 3,-0.2 0.894 86.8 49.4 -61.8 -45.0 33.9 14.4 5.0 52 53 A E T >45S+ 0 0 110 -4,-0.4 3,-2.1 1,-0.2 -1,-0.2 0.931 108.9 52.4 -59.1 -50.1 36.5 12.9 2.6 53 54 A E T 345S+ 0 0 89 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.814 106.9 54.1 -57.8 -32.6 39.1 15.5 3.5 54 55 A R T 3<5S- 0 0 117 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.392 123.9-102.0 -84.3 3.0 38.6 14.7 7.2 55 56 A G T < 5S+ 0 0 36 -3,-2.1 -53,-0.5 1,-0.3 2,-0.2 0.426 71.7 146.0 93.0 1.0 39.2 11.0 6.6 56 57 A I < + 0 0 4 -5,-2.2 -1,-0.3 -6,-0.2 -53,-0.2 -0.503 19.9 177.2 -66.9 133.0 35.6 9.8 6.7 57 58 A E + 0 0 40 -55,-2.9 2,-0.3 1,-0.4 -54,-0.2 0.649 64.6 26.6-112.9 -22.7 35.2 6.9 4.2 58 59 A V E -b 3 0A 1 -56,-1.1 -54,-2.1 21,-0.1 2,-0.5 -0.997 65.9-152.4-139.6 139.6 31.6 5.9 4.7 59 60 A I E -bc 4 81A 0 21,-2.2 23,-3.1 -2,-0.3 2,-0.6 -0.948 2.4-163.8-113.5 132.1 28.6 7.9 5.8 60 61 A I E -bc 5 82A 0 -56,-3.3 -54,-2.8 -2,-0.5 2,-0.5 -0.969 16.0-174.6-109.6 120.2 25.6 6.4 7.6 61 62 A A E -bc 6 83A 0 21,-3.1 23,-2.4 -2,-0.6 2,-0.4 -0.970 8.7-163.5-124.5 127.9 22.7 8.8 7.5 62 63 A G E +bc 7 84A 0 -56,-2.5 -54,-1.0 -2,-0.5 2,-0.3 -0.875 16.7 159.3-108.0 143.4 19.3 8.3 9.2 63 64 A A E - c 0 85A 10 21,-1.8 23,-2.5 -2,-0.4 2,-0.3 -0.985 20.9-148.7-159.8 144.5 16.1 10.2 8.5 64 65 A G E - c 0 86A 33 -2,-0.3 2,-0.3 21,-0.2 4,-0.2 -0.865 62.7 -0.6-115.7 155.6 12.3 9.8 9.0 65 66 A G S S+ 0 0 12 21,-0.6 2,-1.8 -2,-0.3 34,-0.3 -0.573 137.1 13.0 78.2-131.8 9.2 10.9 7.1 66 67 A A S S- 0 0 57 -2,-0.3 2,-1.4 1,-0.1 -2,-0.2 -0.656 93.2-166.0 -71.5 87.3 10.2 12.9 4.0 67 68 A A + 0 0 1 -2,-1.8 4,-0.4 28,-0.3 -2,-0.1 -0.611 28.7 151.7 -95.8 88.6 13.7 11.6 4.6 68 69 A H > + 0 0 85 -2,-1.4 4,-2.6 -4,-0.2 5,-0.3 0.624 45.5 89.5 -93.0 -18.4 16.0 13.7 2.4 69 70 A L H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 88.2 44.7 -54.8 -49.7 19.3 13.6 4.4 70 71 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.940 117.2 45.7 -60.3 -46.5 20.9 10.5 2.9 71 72 A G H > S+ 0 0 5 -4,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.847 113.0 48.7 -65.6 -40.2 20.1 11.4 -0.6 72 73 A M H X S+ 0 0 81 -4,-2.6 4,-0.8 2,-0.2 3,-0.3 0.915 111.7 50.3 -68.1 -39.1 21.2 15.0 -0.3 73 74 A V H >X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 3,-1.3 0.958 110.1 50.1 -60.7 -46.8 24.5 13.9 1.3 74 75 A A H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.725 103.3 61.1 -63.7 -22.4 25.1 11.5 -1.5 75 76 A S H 3< S+ 0 0 62 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.744 114.3 35.0 -73.6 -22.5 24.4 14.3 -4.1 76 77 A I H << S+ 0 0 45 -3,-1.3 2,-0.2 -4,-0.8 -2,-0.2 0.857 113.2 55.3-102.2 -48.0 27.3 16.2 -2.7 77 78 A T < - 0 0 14 -4,-2.5 -28,-0.1 -5,-0.1 4,-0.1 -0.605 61.2-148.0 -94.6 151.1 29.9 13.6 -1.7 78 79 A H S S+ 0 0 131 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.479 71.5 106.3 -85.9 -10.4 31.5 10.9 -3.9 79 80 A L S S- 0 0 21 -31,-0.2 2,-0.2 1,-0.1 -21,-0.1 -0.367 87.0 -92.2 -65.2 153.3 31.7 8.7 -0.7 80 81 A P - 0 0 56 0, 0.0 -21,-2.2 0, 0.0 2,-0.5 -0.479 42.8-157.7 -67.3 131.3 29.4 5.8 -0.3 81 82 A V E -c 59 0A 5 27,-0.3 29,-3.0 -2,-0.2 2,-0.5 -0.972 4.8-159.0-117.1 126.5 26.3 6.8 1.7 82 83 A I E -cd 60 110A 0 -23,-3.1 -21,-3.1 -2,-0.5 2,-0.5 -0.903 11.3-149.2-105.4 130.1 24.1 4.3 3.6 83 84 A G E -cd 61 111A 0 27,-2.1 29,-2.2 -2,-0.5 -21,-0.2 -0.843 8.6-164.6-106.8 126.0 20.6 5.4 4.4 84 85 A V E -c 62 0A 0 -23,-2.4 -21,-1.8 -2,-0.5 2,-0.5 -0.939 16.0-145.7-104.1 110.5 18.6 4.2 7.4 85 86 A P E -c 63 0A 0 0, 0.0 30,-3.2 0, 0.0 2,-0.4 -0.713 17.8-142.9 -74.2 122.2 14.8 4.9 7.1 86 87 A V E -c 64 0A 11 -23,-2.5 -21,-0.6 -2,-0.5 10,-0.2 -0.777 21.6-105.9 -93.2 135.5 13.6 5.7 10.5 87 88 A K - 0 0 122 -2,-0.4 2,-0.3 5,-0.1 5,-0.1 -0.312 32.3-150.3 -60.0 132.1 10.1 4.5 11.5 88 89 A T > - 0 0 20 1,-0.1 4,-1.2 -23,-0.1 6,-0.1 -0.780 17.8-127.9 -97.8 148.7 7.4 7.1 11.6 89 90 A S T 4 S+ 0 0 117 -2,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.816 105.9 41.2 -61.9 -31.7 4.3 6.9 13.9 90 91 A T T 4 S+ 0 0 107 1,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 0.983 130.6 17.3 -84.4 -61.6 1.9 7.4 11.0 91 92 A L T >4 S- 0 0 104 1,-0.0 3,-2.3 0, 0.0 4,-0.2 0.152 96.0-120.9-102.5 18.3 3.2 5.4 8.1 92 93 A N T 3< S- 0 0 102 -4,-1.2 -3,-0.1 1,-0.3 -5,-0.1 0.733 73.5 -54.3 53.3 26.5 5.6 3.1 9.9 93 94 A G T 3> S+ 0 0 0 -7,-0.1 4,-2.7 3,-0.0 -1,-0.3 0.471 108.5 117.7 93.0 1.5 8.6 4.2 7.9 94 95 A L H <> S+ 0 0 88 -3,-2.3 4,-2.4 2,-0.2 5,-0.2 0.869 80.7 48.9 -68.4 -36.4 7.2 3.5 4.5 95 96 A D H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -28,-0.3 0.946 111.9 49.5 -63.0 -47.2 7.5 7.2 3.7 96 97 A S H > S+ 0 0 0 -10,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.907 111.2 49.8 -54.3 -45.1 11.1 7.1 5.0 97 98 A L H >X S+ 0 0 44 -4,-2.7 4,-3.0 1,-0.2 3,-0.8 0.934 112.2 44.9 -66.3 -49.2 11.9 4.0 2.9 98 99 A F H 3X S+ 0 0 122 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.892 110.5 55.8 -62.7 -39.4 10.5 5.5 -0.4 99 100 A S H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 -34,-0.3 -2,-0.2 0.676 120.2 30.8 -62.3 -26.0 12.2 8.9 0.3 100 101 A I H X< S+ 0 0 0 -4,-1.0 3,-0.5 -3,-0.8 -2,-0.2 0.844 121.0 42.9-100.3 -48.4 15.6 7.2 0.6 101 102 A V H 3< S+ 0 0 63 -4,-3.0 2,-0.8 1,-0.2 8,-0.2 0.839 99.9 70.1 -78.1 -27.8 15.6 4.1 -1.6 102 103 A Q T 3< + 0 0 144 -4,-1.4 -1,-0.2 -5,-0.4 -4,-0.1 -0.009 65.2 155.3 -86.5 32.1 14.0 5.6 -4.7 103 104 A M < - 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