==== 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 23-APR-07 2YWX . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE CATALYTI . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR M.KANAGAWA,S.BABA,S.KURAMITSU,S.YOKOYAMA,G.KAWAI,G.SAMPEI,RI . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 14.0 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 . 11 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 1 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 2 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 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 1 A M 0 0 67 0, 0.0 52,-2.2 0, 0.0 53,-1.0 0.000 360.0 360.0 360.0 136.8 36.7 6.5 9.9 2 2 A I E -ab 29 54A 0 26,-0.8 28,-2.0 50,-0.2 2,-0.6 -0.989 360.0-149.1-126.4 133.9 32.9 6.3 9.7 3 3 A C E -ab 30 55A 3 51,-2.4 53,-3.2 -2,-0.4 2,-0.6 -0.919 8.3-166.6-110.8 117.2 30.6 9.3 10.0 4 4 A I E -ab 31 56A 0 26,-2.8 28,-2.8 -2,-0.6 2,-0.5 -0.892 7.3-171.9-100.9 122.9 27.2 8.8 11.4 5 5 A I E -ab 32 57A 1 51,-3.0 53,-2.6 -2,-0.6 2,-0.4 -0.972 6.7-160.6-120.5 123.7 24.8 11.7 11.0 6 6 A M E -ab 33 58A 8 26,-3.4 28,-2.7 -2,-0.5 53,-0.2 -0.860 12.8-152.9-100.5 135.0 21.3 11.9 12.6 7 7 A G S S+ 0 0 4 51,-2.5 2,-0.3 -2,-0.4 52,-0.1 0.723 84.2 10.6 -77.1 -19.3 18.8 14.3 11.2 8 8 A S S > S- 0 0 31 50,-0.5 3,-2.1 26,-0.1 -1,-0.2 -0.991 72.2-117.2-156.1 153.5 17.2 14.5 14.6 9 9 A E G > S+ 0 0 151 -2,-0.3 3,-1.2 1,-0.3 4,-0.2 0.585 110.0 76.2 -67.7 -8.7 17.9 13.5 18.2 10 10 A S G 3 S+ 0 0 92 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.667 86.2 62.0 -74.3 -16.8 14.8 11.3 17.8 11 11 A D G <> S+ 0 0 8 -3,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.292 73.0 103.2 -91.3 9.3 17.0 9.0 15.8 12 12 A L H <> S+ 0 0 71 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.894 73.9 55.3 -60.1 -44.9 19.3 8.3 18.8 13 13 A K H > S+ 0 0 140 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.924 114.9 39.9 -55.1 -46.4 17.9 4.8 19.6 14 14 A I H > S+ 0 0 1 -4,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.846 113.3 55.7 -72.1 -33.7 18.6 3.7 16.0 15 15 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.831 103.2 55.0 -67.8 -32.6 21.9 5.5 15.9 16 16 A E H X S+ 0 0 94 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.782 97.4 63.0 -72.8 -26.9 23.1 3.7 19.1 17 17 A K H X S+ 0 0 73 -4,-0.9 4,-1.0 -5,-0.2 -1,-0.2 0.927 108.3 44.3 -60.7 -41.2 22.5 0.4 17.4 18 18 A A H >X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 3,-0.6 0.948 112.2 50.5 -66.0 -52.0 25.1 1.4 14.9 19 19 A V H 3X S+ 0 0 24 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.905 105.6 55.8 -54.8 -46.7 27.6 2.8 17.5 20 20 A N H 3X S+ 0 0 82 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.836 109.5 47.7 -58.9 -31.5 27.5 -0.3 19.6 21 21 A I H S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 4,-0.4 0.846 109.4 54.0 -60.7 -33.9 31.3 0.0 15.7 23 23 A K H ><5S+ 0 0 139 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.845 104.7 54.2 -69.4 -32.6 32.5 -0.1 19.3 24 24 A E H 3<5S+ 0 0 130 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.752 110.0 46.7 -73.0 -23.8 32.7 -3.9 19.2 25 25 A F T 3<5S- 0 0 8 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.471 108.9-126.3 -95.1 -2.8 34.9 -3.8 16.1 26 26 A G T < 5 + 0 0 66 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.893 55.8 149.3 61.7 43.0 37.2 -1.2 17.6 27 27 A V < - 0 0 21 -5,-2.0 -1,-0.2 1,-0.0 2,-0.1 -0.799 49.5-104.6-111.7 154.5 36.9 1.3 14.7 28 28 A E + 0 0 133 -2,-0.3 -26,-0.8 -25,-0.0 2,-0.3 -0.426 50.2 150.3 -71.6 144.6 37.0 5.1 14.6 29 29 A F E -a 2 0A 45 -28,-0.2 2,-0.3 -2,-0.1 -26,-0.2 -0.983 33.1-138.8-166.8 165.1 33.8 7.0 14.1 30 30 A E E -a 3 0A 99 -28,-2.0 -26,-2.8 -2,-0.3 2,-0.5 -0.967 9.7-150.7-131.8 146.9 31.9 10.2 14.8 31 31 A V E +a 4 0A 55 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.982 25.4 170.4-123.0 122.2 28.3 10.8 15.7 32 32 A R E -a 5 0A 97 -28,-2.8 -26,-3.4 -2,-0.5 2,-0.5 -0.875 28.4-142.6-129.8 160.4 26.6 14.0 14.7 33 33 A V E +a 6 0A 67 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.994 34.6 148.7-123.1 126.4 23.2 15.7 14.5 34 34 A A - 0 0 2 -28,-2.7 2,-0.4 -2,-0.5 -26,-0.1 -0.892 35.6-137.3-161.1 127.3 22.4 17.9 11.5 35 35 A S > - 0 0 5 -2,-0.3 4,-1.5 1,-0.1 8,-0.3 -0.732 2.4-153.9 -91.5 131.2 19.1 18.6 9.7 36 36 A A T 4 S+ 0 0 15 -2,-0.4 -1,-0.1 2,-0.1 8,-0.1 0.835 100.9 35.2 -68.6 -32.1 19.0 18.7 5.9 37 37 A H T 4 S+ 0 0 143 2,-0.1 -1,-0.1 -30,-0.1 -2,-0.0 0.914 127.1 33.4 -86.6 -50.3 16.0 21.1 6.2 38 38 A R T 4 S+ 0 0 166 1,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.812 133.3 21.8 -79.8 -33.3 16.8 23.2 9.2 39 39 A T >X + 0 0 40 -4,-1.5 4,-1.7 1,-0.1 3,-1.5 -0.381 62.9 156.9-135.2 60.6 20.6 23.3 9.1 40 40 A P H 3> S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.791 78.0 57.1 -55.3 -27.6 21.8 22.7 5.5 41 41 A E H 3> S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.754 103.9 51.0 -77.1 -24.1 25.0 24.5 6.2 42 42 A L H <> S+ 0 0 46 -3,-1.5 4,-2.4 -7,-0.2 5,-0.2 0.909 111.8 47.2 -77.2 -41.7 25.9 22.3 9.1 43 43 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 -8,-0.3 5,-0.2 0.951 113.6 48.3 -60.1 -52.0 25.4 19.1 7.0 44 44 A E H X S+ 0 0 84 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.913 113.8 47.2 -53.3 -49.5 27.4 20.6 4.1 45 45 A E H X S+ 0 0 116 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.840 112.3 49.0 -63.8 -39.3 30.2 21.6 6.5 46 46 A I H X S+ 0 0 9 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.946 117.0 41.3 -68.4 -46.5 30.3 18.2 8.3 47 47 A V H >< S+ 0 0 7 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.942 111.5 52.1 -66.9 -52.2 30.4 16.3 5.0 48 48 A K H 3< S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.728 119.2 37.4 -60.0 -23.2 32.8 18.4 3.0 49 49 A N H 3< S+ 0 0 118 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.378 89.4 114.8-110.7 2.8 35.4 18.3 5.8 50 50 A S << - 0 0 33 -3,-1.1 -3,-0.0 -4,-0.5 -47,-0.0 -0.396 52.9-155.0 -73.5 151.2 34.9 14.7 7.1 51 51 A K + 0 0 176 -2,-0.1 -1,-0.1 3,-0.1 2,-0.1 0.233 54.0 129.7-105.7 7.9 37.8 12.2 6.7 52 52 A A - 0 0 1 1,-0.1 -50,-0.2 -5,-0.1 3,-0.1 -0.355 50.3-158.6 -68.0 142.0 35.3 9.4 6.7 53 53 A D S S+ 0 0 59 -52,-2.2 2,-0.4 1,-0.2 -51,-0.2 0.664 84.6 35.0 -89.2 -22.4 35.4 6.7 4.0 54 54 A V E -b 2 0A 0 -53,-1.0 -51,-2.4 21,-0.2 2,-0.4 -0.999 69.7-154.4-138.3 135.9 31.8 5.8 4.7 55 55 A F E -bc 3 77A 2 21,-2.7 23,-3.7 -2,-0.4 2,-0.6 -0.895 2.1-163.5-109.7 135.6 28.8 8.0 5.8 56 56 A I E -bc 4 78A 1 -53,-3.2 -51,-3.0 -2,-0.4 2,-0.5 -0.964 10.4-168.3-119.8 111.6 25.8 6.6 7.7 57 57 A A E -bc 5 79A 1 21,-3.3 23,-2.2 -2,-0.6 2,-0.5 -0.880 2.0-170.3-104.0 132.0 22.7 8.9 7.5 58 58 A I E +bc 6 80A 0 -53,-2.6 -51,-2.5 -2,-0.5 -50,-0.5 -0.957 22.6 137.4-128.2 113.7 19.8 8.3 9.8 59 59 A A E - c 0 81A 7 21,-1.2 23,-1.7 -2,-0.5 4,-0.2 -0.988 30.3-148.1-152.1 157.1 16.5 10.1 9.4 60 60 A G E + c 0 82A 17 -2,-0.3 5,-0.2 21,-0.2 4,-0.2 -0.380 60.3 25.2-113.5-166.4 12.8 9.6 9.4 61 61 A L S S- 0 0 101 21,-0.7 2,-3.4 1,-0.2 33,-0.2 -0.097 132.5 -0.5 47.5-146.0 9.6 11.0 7.7 62 62 A A S S- 0 0 65 28,-0.1 2,-0.6 29,-0.1 -1,-0.2 -0.448 92.8-160.2 -69.5 75.2 10.4 12.6 4.4 63 63 A A + 0 0 3 -2,-3.4 4,-0.2 -4,-0.2 -2,-0.1 -0.499 32.0 156.0 -66.6 111.5 14.0 11.6 5.0 64 64 A H > + 0 0 109 -2,-0.6 4,-2.4 -4,-0.2 5,-0.2 0.401 49.9 91.0-114.8 -2.9 16.1 13.8 2.8 65 65 A L H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.949 85.1 50.3 -60.1 -51.0 19.3 13.6 4.8 66 66 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.935 113.5 47.0 -52.9 -48.7 20.7 10.6 3.1 67 67 A G H > S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.894 112.8 47.8 -60.1 -44.1 20.2 12.2 -0.3 68 68 A V H < S+ 0 0 45 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.868 111.8 50.5 -65.9 -38.5 21.7 15.5 0.7 69 69 A V H >< S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.916 110.2 49.9 -66.0 -42.7 24.7 13.8 2.2 70 70 A A H >< S+ 0 0 7 -4,-2.4 3,-0.8 -5,-0.3 -1,-0.2 0.819 104.3 58.3 -66.3 -30.8 25.3 11.8 -1.0 71 71 A S T 3< S+ 0 0 75 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.605 106.0 51.7 -75.3 -8.4 25.0 14.9 -3.1 72 72 A L T < S+ 0 0 43 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 0.457 116.1 26.8-105.4 -3.8 27.9 16.4 -1.1 73 73 A T < - 0 0 33 -3,-0.8 -1,-0.1 -4,-0.4 4,-0.1 -0.965 57.0-139.7-151.7 164.0 30.4 13.5 -1.4 74 74 A T S S+ 0 0 147 -2,-0.3 3,-0.1 2,-0.1 -4,-0.1 0.347 74.0 108.8-105.2 0.9 31.4 10.6 -3.7 75 75 A K S S- 0 0 84 1,-0.1 -21,-0.2 -23,-0.1 -2,-0.1 -0.408 88.7 -83.6 -73.2 155.4 32.0 8.4 -0.6 76 76 A P - 0 0 58 0, 0.0 -21,-2.7 0, 0.0 2,-0.5 -0.383 45.0-158.1 -62.0 132.3 29.5 5.6 0.0 77 77 A V E -c 55 0A 5 26,-0.2 28,-2.4 -23,-0.2 2,-0.5 -0.967 2.7-161.5-118.5 118.3 26.4 6.9 1.9 78 78 A I E -cd 56 105A 0 -23,-3.7 -21,-3.3 -2,-0.5 2,-0.4 -0.866 8.3-154.0-100.5 130.9 24.3 4.4 3.8 79 79 A A E -cd 57 106A 0 26,-3.0 28,-1.7 -2,-0.5 -21,-0.2 -0.844 7.8-162.6-107.2 141.0 20.8 5.4 4.7 80 80 A V E -c 58 0A 1 -23,-2.2 -21,-1.2 -2,-0.4 2,-0.3 -0.944 16.6-144.0-121.9 106.2 18.8 4.1 7.6 81 81 A P E -c 59 0A 0 0, 0.0 29,-2.9 0, 0.0 2,-0.5 -0.538 13.9-151.8 -71.2 132.3 15.0 4.8 7.3 82 82 A V E -c 60 0A 11 -23,-1.7 2,-1.0 -2,-0.3 -21,-0.7 -0.912 11.7-130.8-108.8 130.5 13.5 5.5 10.7 83 83 A D + 0 0 75 -2,-0.5 3,-0.1 1,-0.2 4,-0.1 -0.677 52.6 137.2 -84.5 102.7 9.8 4.7 11.2 84 84 A A S S+ 0 0 65 -2,-1.0 2,-0.3 1,-0.5 -1,-0.2 0.432 76.7 6.9-118.4 -9.5 8.2 7.8 12.8 85 85 A K S > >S+ 0 0 130 -3,-0.2 3,-1.9 -24,-0.1 5,-0.5 -0.952 124.5 21.9-167.2 154.9 5.0 7.7 10.7 86 86 A L G > 5S- 0 0 96 -2,-0.3 3,-2.7 1,-0.3 4,-0.2 0.861 121.1 -75.4 45.9 42.6 3.4 5.4 8.1 87 87 A D G 3 5S- 0 0 126 1,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.774 88.9 -57.1 39.2 41.4 5.5 2.5 9.6 88 88 A G G <>5S+ 0 0 1 -3,-1.9 4,-1.3 -6,-0.2 -1,-0.3 0.507 104.8 122.4 77.0 5.9 8.6 3.8 7.9 89 89 A L H <>5S+ 0 0 78 -3,-2.7 4,-1.3 -4,-0.3 5,-0.2 0.740 74.2 53.6 -71.8 -20.7 7.3 3.6 4.3 90 90 A D H > S+ 0 0 1 -9,-0.3 4,-0.7 -6,-0.3 5,-0.2 0.737 113.0 60.7 -58.4 -25.5 11.7 7.4 4.9 92 92 A L H >X S+ 0 0 49 -4,-1.3 4,-2.6 2,-0.2 3,-0.8 0.993 113.9 29.0 -67.3 -64.2 12.2 4.2 3.0 93 93 A L H 3X S+ 0 0 89 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.808 113.9 65.3 -67.8 -30.6 11.3 5.3 -0.5 94 94 A S H 3< S+ 0 0 44 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.751 116.9 27.3 -64.7 -23.1 12.4 8.8 0.2 95 95 A S H << S+ 0 0 1 -3,-0.8 3,-0.4 -4,-0.7 -2,-0.2 0.741 121.9 49.7-108.8 -30.9 16.0 7.6 0.5 96 96 A V H < S+ 0 0 58 -4,-2.6 2,-1.6 1,-0.2 8,-0.2 0.866 97.6 68.1 -77.1 -37.8 16.0 4.4 -1.7 97 97 A Q S < S+ 0 0 149 -4,-1.9 -1,-0.2 -5,-0.2 -4,-0.1 -0.203 70.6 157.1 -79.3 47.8 14.5 5.9 -4.8 98 98 A M - 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