==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-APR-11 3RGG . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE, PURE PR . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA DENTICOLA; . AUTHOR I.I.MATHEWS,C.M.STARKS,T.J.KAPPOCK . 623 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 13.5 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 . 55 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 0 0 4 0 0 0 6 6 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 0 0 8 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 4 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 R 0 0 204 0, 0.0 2,-0.1 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 10.6 10.9 4.2 18.7 2 3 A P - 0 0 14 0, 0.0 28,-0.6 0, 0.0 2,-0.4 -0.521 360.0-160.3 -63.7 150.7 9.2 0.9 19.3 3 4 A L E -ab 30 59A 7 55,-1.6 57,-1.8 -2,-0.1 2,-0.5 -0.997 12.7-163.0-135.6 131.2 11.8 -1.7 20.3 4 5 A V E -ab 31 60A 0 26,-2.2 28,-1.8 -2,-0.4 2,-0.7 -0.982 10.5-153.9-112.8 122.8 11.5 -5.5 20.1 5 6 A I E -ab 32 61A 1 55,-3.0 57,-2.6 -2,-0.5 2,-0.8 -0.857 4.5-159.0 -97.7 112.0 14.1 -7.4 22.1 6 7 A I E -ab 33 62A 0 26,-3.3 28,-2.6 -2,-0.7 2,-0.6 -0.843 15.4-176.5 -92.6 107.9 14.6 -10.9 20.7 7 8 A L E -ab 34 63A 1 55,-2.2 57,-2.3 -2,-0.8 2,-0.3 -0.951 1.1-174.6-113.5 119.2 16.1 -12.9 23.5 8 9 A M E -ab 35 64A 0 26,-2.7 28,-2.9 -2,-0.6 57,-0.2 -0.802 28.0-134.1-110.9 155.3 17.2 -16.5 22.9 9 10 A G S S+ 0 0 13 55,-2.4 2,-0.3 -2,-0.3 56,-0.1 0.738 85.2 11.7 -75.0 -27.7 18.4 -19.3 25.2 10 11 A S S > S- 0 0 42 54,-0.2 3,-2.0 26,-0.1 -1,-0.2 -0.995 70.6-115.2-150.6 149.4 21.4 -20.5 23.1 11 12 A S G > S+ 0 0 46 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.788 112.4 72.5 -54.2 -24.8 23.4 -19.4 20.0 12 13 A S G 3 S+ 0 0 103 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.802 90.1 60.3 -67.6 -18.3 22.0 -22.6 18.4 13 14 A D G <> S+ 0 0 15 -3,-2.0 4,-2.2 1,-0.2 3,-0.5 0.420 75.1 102.0 -78.0 -1.2 18.6 -20.7 18.2 14 15 A M H <> S+ 0 0 32 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.841 72.9 56.8 -62.8 -38.6 20.1 -17.9 16.0 15 16 A G H > S+ 0 0 43 -3,-0.5 4,-1.3 -4,-0.2 -1,-0.2 0.905 111.0 44.6 -58.2 -41.0 18.7 -19.1 12.7 16 17 A H H > S+ 0 0 16 -3,-0.5 4,-1.5 -4,-0.2 3,-0.3 0.946 113.0 50.6 -69.0 -47.3 15.1 -18.9 14.2 17 18 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.882 106.5 55.9 -56.3 -41.2 15.8 -15.5 15.8 18 19 A E H X S+ 0 0 108 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.873 103.0 54.6 -64.1 -35.5 17.1 -14.1 12.4 19 20 A K H X S+ 0 0 128 -4,-1.3 4,-1.5 -3,-0.3 -1,-0.2 0.907 111.2 45.4 -63.5 -41.3 13.9 -15.1 10.7 20 21 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.945 114.1 48.3 -64.3 -48.8 11.9 -13.0 13.3 21 22 A A H X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.885 109.1 53.4 -61.6 -43.4 14.4 -10.1 13.1 22 23 A S H X S+ 0 0 70 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.895 110.8 46.2 -54.4 -45.6 14.2 -10.0 9.3 23 24 A E H X S+ 0 0 16 -4,-1.5 4,-0.8 2,-0.2 3,-0.4 0.918 109.2 54.2 -70.5 -41.0 10.5 -9.8 9.3 24 25 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.2 0.903 104.5 57.0 -55.1 -40.2 10.5 -7.1 11.9 25 26 A K H ><5S+ 0 0 142 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.843 98.0 60.1 -63.5 -34.5 12.8 -5.1 9.7 26 27 A T H 3<5S+ 0 0 83 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.721 106.1 48.8 -63.8 -22.4 10.2 -5.3 6.8 27 28 A F T <<5S- 0 0 8 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.286 119.1-109.9 -97.0 5.8 7.7 -3.5 9.2 28 29 A G T < 5 + 0 0 70 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.784 69.4 146.9 72.3 29.2 10.2 -0.8 10.1 29 30 A I < - 0 0 6 -5,-2.0 -1,-0.2 -6,-0.1 2,-0.2 -0.881 45.6-131.6-106.3 125.5 10.6 -2.1 13.7 30 31 A E E -a 3 0A 112 -28,-0.6 -26,-2.2 -2,-0.5 2,-0.3 -0.465 30.5-177.3 -70.4 138.9 13.9 -1.8 15.5 31 32 A Y E -a 4 0A 76 -28,-0.2 2,-0.4 -2,-0.2 -26,-0.2 -0.952 20.5-151.5-134.2 156.0 15.1 -5.0 17.2 32 33 A A E -a 5 0A 23 -28,-1.8 -26,-3.3 -2,-0.3 2,-0.5 -0.971 14.6-145.8-120.5 144.3 18.0 -6.1 19.4 33 34 A I E +a 6 0A 35 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.960 26.2 168.4-111.2 129.3 19.2 -9.7 19.4 34 35 A R E -a 7 0A 50 -28,-2.6 -26,-2.7 -2,-0.5 2,-0.4 -0.940 24.3-143.0-141.4 153.2 20.5 -11.2 22.7 35 36 A I E +a 8 0A 2 -2,-0.3 2,-0.2 -28,-0.2 -26,-0.2 -0.971 34.6 133.5-122.7 132.3 21.5 -14.6 24.2 36 37 A G - 0 0 0 -28,-2.9 2,-0.4 -2,-0.4 -26,-0.1 -0.820 38.1-135.1-174.9 142.8 20.9 -15.8 27.8 37 38 A S > - 0 0 14 -2,-0.2 4,-1.5 1,-0.1 8,-0.3 -0.846 6.4-149.5-107.8 134.5 19.6 -19.0 29.4 38 39 A A T 4 S+ 0 0 18 -2,-0.4 4,-0.2 2,-0.1 -1,-0.1 0.714 101.8 43.5 -69.3 -24.3 17.1 -19.1 32.2 39 40 A H T 4 S+ 0 0 139 2,-0.1 3,-0.3 -30,-0.1 -1,-0.1 0.920 126.8 23.2 -82.9 -50.2 18.7 -22.4 33.4 40 41 A K T 4 S+ 0 0 123 1,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.681 133.0 28.3 -97.7 -19.6 22.5 -21.6 33.1 41 42 A T X + 0 0 8 -4,-1.5 4,-1.9 1,-0.1 -1,-0.2 -0.283 65.6 147.3-141.9 52.6 22.7 -17.8 33.2 42 43 A A H > S+ 0 0 40 -3,-0.3 4,-2.4 1,-0.2 5,-0.1 0.869 75.7 48.5 -62.7 -43.0 19.8 -16.5 35.3 43 44 A E H > S+ 0 0 175 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 109.0 54.6 -68.5 -37.3 21.6 -13.5 36.8 44 45 A H H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 109.8 47.7 -58.8 -40.1 22.9 -12.5 33.4 45 46 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 -8,-0.3 -2,-0.2 0.953 110.5 51.5 -67.8 -47.4 19.3 -12.5 32.1 46 47 A V H X S+ 0 0 36 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.926 111.3 46.2 -53.6 -50.6 18.0 -10.5 35.1 47 48 A S H X S+ 0 0 63 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.890 112.6 51.9 -66.1 -36.3 20.6 -7.7 34.7 48 49 A M H X S+ 0 0 2 -4,-1.8 4,-1.7 -5,-0.2 3,-0.3 0.927 109.4 48.7 -60.1 -49.0 20.0 -7.6 30.9 49 50 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.841 105.5 58.6 -63.2 -36.8 16.2 -7.2 31.4 50 51 A K H X S+ 0 0 127 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.875 104.7 51.9 -55.4 -40.6 16.8 -4.4 34.0 51 52 A E H < S+ 0 0 124 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.939 114.3 40.8 -65.4 -48.2 18.7 -2.4 31.3 52 53 A Y H >< S+ 0 0 29 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.906 111.3 55.8 -68.7 -41.6 15.9 -2.7 28.7 53 54 A E H 3< S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.862 99.4 62.4 -57.9 -35.6 13.1 -2.1 31.2 54 55 A A T 3< S+ 0 0 83 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.506 81.1 103.0 -70.8 -4.8 14.7 1.2 32.2 55 56 A L S < S- 0 0 71 -3,-1.8 2,-1.7 -4,-0.1 4,-0.1 -0.723 72.7-138.0 -83.0 124.5 14.2 2.5 28.6 56 57 A D + 0 0 153 -2,-0.5 -2,-0.1 2,-0.1 -1,-0.1 -0.586 68.8 91.7 -84.7 81.0 11.3 4.9 28.4 57 58 A R S S- 0 0 57 -2,-1.7 2,-0.3 -4,-0.2 -2,-0.1 -0.957 86.6 -81.5-171.0 151.5 9.9 3.7 25.1 58 59 A P + 0 0 65 0, 0.0 -55,-1.6 0, 0.0 2,-0.3 -0.452 59.5 170.9 -72.7 124.0 7.3 1.1 23.9 59 60 A K E -b 3 0A 42 -2,-0.3 2,-0.3 -57,-0.2 -55,-0.2 -0.948 26.1-168.5-138.7 154.9 8.8 -2.4 23.9 60 61 A L E -b 4 0A 6 -57,-1.8 -55,-3.0 -2,-0.3 2,-0.4 -0.941 16.5-141.7-133.6 151.9 8.1 -6.1 23.4 61 62 A Y E -bc 5 83A 2 21,-0.8 23,-2.6 -2,-0.3 2,-0.5 -0.977 6.0-159.7-115.4 134.4 10.3 -9.1 24.1 62 63 A I E -bc 6 84A 0 -57,-2.6 -55,-2.2 -2,-0.4 2,-0.5 -0.974 16.2-158.1-111.5 116.8 10.2 -12.1 21.9 63 64 A T E -bc 7 85A 0 21,-2.8 23,-2.4 -2,-0.5 2,-0.5 -0.828 10.8-174.0-110.7 128.1 11.6 -15.1 23.7 64 65 A I E +b 8 0A 0 -57,-2.3 -55,-2.4 -2,-0.5 2,-0.4 -0.973 16.8 149.2-123.8 113.2 13.0 -18.2 22.0 65 66 A A - 0 0 11 -2,-0.5 4,-0.1 -57,-0.2 7,-0.1 -0.960 28.9-146.8-147.1 131.8 14.1 -21.3 23.9 66 67 A G + 0 0 28 -2,-0.4 24,-0.0 21,-0.1 -53,-0.0 -0.232 67.9 17.0 -82.4 178.1 14.0 -24.9 22.6 67 68 A R S S+ 0 0 164 21,-0.1 2,-0.8 2,-0.1 33,-0.1 -0.284 131.2 7.1 58.0-143.0 13.3 -28.0 24.7 68 69 A S S S- 0 0 75 1,-0.1 2,-1.3 31,-0.1 3,-0.2 -0.637 83.7-141.8 -74.1 111.0 11.7 -27.1 28.0 69 70 A N + 0 0 6 -2,-0.8 4,-0.4 28,-0.4 -2,-0.1 -0.603 44.1 149.3 -82.6 92.6 11.0 -23.4 27.7 70 71 A A > + 0 0 37 -2,-1.3 4,-2.0 2,-0.1 -1,-0.2 0.689 63.5 73.6 -85.0 -24.1 11.7 -21.8 31.0 71 72 A L H > S+ 0 0 3 1,-0.2 4,-3.0 -3,-0.2 5,-0.3 0.910 88.8 51.6 -64.7 -50.4 12.8 -18.6 29.3 72 73 A S H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.909 114.8 42.4 -60.6 -43.0 9.5 -17.1 28.2 73 74 A G H > S+ 0 0 15 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.901 114.3 52.4 -67.2 -40.7 7.8 -17.4 31.6 74 75 A F H X S+ 0 0 70 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.936 114.7 40.8 -59.0 -50.7 10.9 -16.2 33.3 75 76 A V H >X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 3,-0.8 0.950 115.2 52.7 -60.6 -46.2 11.2 -13.1 31.1 76 77 A D H 3< S+ 0 0 13 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.869 108.0 49.4 -64.2 -34.7 7.4 -12.5 31.2 77 78 A G H 3< S+ 0 0 51 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.739 114.7 46.5 -78.1 -19.8 7.2 -12.6 35.0 78 79 A F H << S+ 0 0 82 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.866 102.7 63.5 -88.6 -44.1 10.0 -10.1 35.3 79 80 A V S < S- 0 0 11 -4,-2.5 4,-0.1 -5,-0.1 -29,-0.1 -0.464 71.2-135.7 -87.4 163.2 9.1 -7.4 32.7 80 81 A K S S+ 0 0 186 -2,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.900 77.3 53.0 -83.8 -49.4 6.1 -5.1 32.8 81 82 A G S S- 0 0 40 1,-0.2 -2,-0.1 -22,-0.0 -21,-0.1 -0.117 99.3 -57.3 -84.2-176.2 4.7 -4.9 29.3 82 83 A A - 0 0 51 -23,-0.1 -21,-0.8 -22,-0.1 2,-0.3 -0.157 47.2-163.8 -65.3 153.8 3.7 -7.8 26.9 83 84 A T E -c 61 0A 2 26,-0.3 28,-2.7 -23,-0.2 2,-0.4 -0.926 8.8-145.2-132.6 159.4 5.9 -10.6 25.7 84 85 A I E -cd 62 111A 0 -23,-2.6 -21,-2.8 -2,-0.3 2,-0.6 -0.996 6.8-150.8-126.6 127.5 5.7 -13.1 22.9 85 86 A A E +cd 63 112A 0 26,-2.5 28,-2.1 -2,-0.4 -21,-0.2 -0.878 21.0 167.3 -96.2 126.2 7.0 -16.8 23.0 86 87 A C - 0 0 0 -23,-2.4 28,-0.1 -2,-0.6 26,-0.1 -0.753 16.3-167.4-136.2 86.3 8.2 -18.2 19.7 87 88 A P - 0 0 17 0, 0.0 -21,-0.1 0, 0.0 -23,-0.1 -0.407 29.4-100.6 -73.2 155.5 10.1 -21.4 20.4 88 89 A P - 0 0 30 0, 0.0 -21,-0.1 0, 0.0 2,-0.1 -0.283 48.4 -93.7 -68.8 156.2 12.1 -23.1 17.7 89 90 A P + 0 0 114 0, 0.0 2,-0.3 0, 0.0 -73,-0.0 -0.441 48.8 174.0 -74.4 150.0 10.5 -26.1 15.9 90 91 A S - 0 0 53 -2,-0.1 474,-0.2 2,-0.1 8,-0.1 -0.982 33.3-162.2-153.4 143.1 11.2 -29.6 17.1 91 92 A D > + 0 0 116 -2,-0.3 3,-1.2 3,-0.1 5,-0.1 0.241 52.3 129.0-101.2 2.9 9.9 -33.1 16.4 92 93 A S G >>>S- 0 0 54 1,-0.3 3,-1.0 2,-0.2 4,-0.8 -0.422 85.6 -1.5 -59.3 130.9 11.2 -34.6 19.7 93 94 A F G >45S- 0 0 64 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.922 134.8 -55.8 51.9 46.7 8.4 -36.5 21.4 94 95 A A G <45S- 0 0 30 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.839 104.1 -55.7 60.2 29.9 5.9 -35.7 18.7 95 96 A G G X45S+ 0 0 3 -3,-1.0 3,-2.1 469,-0.1 -1,-0.3 0.650 91.7 150.6 77.4 16.7 6.6 -31.9 19.2 96 97 A A G X<5 + 0 0 40 -3,-1.6 3,-1.3 -4,-0.8 4,-0.4 0.573 52.0 84.4 -65.7 -6.5 5.8 -32.1 23.0 97 98 A D G > S+ 0 0 24 -3,-2.1 3,-1.5 1,-0.3 4,-1.3 0.812 81.5 65.2 -57.3 -35.1 5.3 -27.1 22.9 99 100 A Y H <> S+ 0 0 146 -3,-1.3 4,-2.5 1,-0.3 -1,-0.3 0.845 91.4 63.4 -58.7 -33.4 3.5 -27.8 26.2 100 101 A S H <4 S+ 0 0 32 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.689 107.8 42.9 -63.4 -21.7 6.4 -26.1 28.1 101 102 A S H <4 S+ 0 0 6 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.702 117.2 45.8 -90.2 -27.5 5.4 -22.8 26.3 102 103 A L H < S+ 0 0 98 -4,-1.3 2,-1.7 -3,-0.2 -2,-0.2 0.854 94.4 76.2 -79.7 -42.1 1.6 -23.2 26.7 103 104 A R < + 0 0 212 -4,-2.5 -1,-0.2 -5,-0.1 -4,-0.0 -0.481 62.8 161.6 -91.8 79.5 1.3 -24.3 30.4 104 105 A M - 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