==== 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 25-APR-06 2GS8 . COMPND 2 MOLECULE: MEVALONATE PYROPHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES M1 GAS; . AUTHOR M.E.CUFF,H.LI,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 32.0 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 0 0 0 0 0 1 0 2 1 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 2 1 2 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 N 0 0 162 0, 0.0 54,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -24.4 26.1 -15.7 -14.9 2 0 A A - 0 0 17 50,-0.2 50,-0.0 52,-0.2 51,-0.0 -0.474 360.0-133.5 -62.2 141.8 22.5 -14.8 -14.2 3 1 A X S S+ 0 0 173 50,-0.2 -1,-0.1 1,-0.1 50,-0.0 0.895 94.2 56.1 -70.3 -44.5 20.9 -14.0 -17.5 4 2 A D S S- 0 0 57 49,-0.1 48,-0.5 1,-0.1 -1,-0.1 -0.847 70.1-168.8 -86.3 111.0 19.1 -10.8 -16.6 5 3 A P + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.359 34.6 140.3 -89.0 8.4 22.0 -8.7 -15.3 6 4 A N - 0 0 72 117,-0.1 46,-0.6 1,-0.1 2,-0.5 -0.232 32.8-168.1 -57.6 133.1 19.6 -6.0 -13.8 7 5 A V E -A 51 0A 89 44,-0.1 2,-0.5 42,-0.0 44,-0.2 -0.984 5.7-164.7-122.7 116.4 20.6 -4.6 -10.5 8 6 A I E -A 50 0A 16 42,-2.5 42,-2.1 -2,-0.5 2,-0.4 -0.893 4.2-166.1-104.2 126.6 17.8 -2.5 -8.9 9 7 A T E -A 49 0A 88 -2,-0.5 2,-0.4 40,-0.2 40,-0.2 -0.940 6.5-177.9-117.5 138.4 18.7 -0.2 -6.0 10 8 A V E -A 48 0A 22 38,-2.7 38,-2.6 -2,-0.4 2,-0.4 -0.997 18.4-139.9-134.8 133.6 16.2 1.5 -3.7 11 9 A T E -A 47 0A 54 -2,-0.4 2,-0.7 36,-0.2 36,-0.2 -0.777 8.9-155.9 -91.5 132.8 16.9 3.9 -0.8 12 10 A S E -A 46 0A 11 34,-2.7 34,-2.0 -2,-0.4 2,-0.2 -0.937 12.6-153.0-106.0 106.2 14.9 3.5 2.4 13 11 A Y E -A 45 0A 51 -2,-0.7 32,-0.3 134,-0.3 29,-0.1 -0.560 18.9-119.4 -73.5 140.6 14.8 6.8 4.2 14 12 A A E - 0 0 8 30,-3.0 27,-2.9 27,-0.5 2,-0.3 -0.345 27.8-157.4 -67.4 160.9 14.4 6.5 8.0 15 13 A N E -A 40 0A 30 25,-0.2 2,-0.4 -2,-0.0 25,-0.2 -0.979 8.7-149.4-138.0 156.0 11.4 8.1 9.6 16 14 A I E -A 39 0A 4 23,-2.0 23,-2.5 -2,-0.3 2,-0.3 -0.996 21.1-130.7-124.1 124.5 10.7 9.3 13.1 17 15 A A E -A 38 0A 5 -2,-0.4 21,-0.3 21,-0.3 3,-0.2 -0.560 21.1-177.6 -76.4 131.0 7.2 9.2 14.5 18 16 A I E S+ 0 0 0 19,-2.7 2,-0.5 1,-0.3 216,-0.2 0.656 89.1 40.2 -98.4 -18.2 5.8 12.4 16.1 19 17 A I E S-A 37 0A 0 18,-1.8 18,-1.8 215,-0.1 -1,-0.3 -0.998 103.8-126.2-122.6 121.6 2.6 10.5 16.9 20 18 A K - 0 0 2 -2,-0.5 2,-0.7 16,-0.2 192,-0.1 -0.435 11.7-143.6 -84.3 142.1 3.5 7.0 18.0 21 19 A Y + 0 0 22 -2,-0.2 2,-0.3 12,-0.0 14,-0.1 -0.888 37.7 161.6 -83.8 115.3 2.5 3.6 16.9 22 20 A W + 0 0 3 -2,-0.7 2,-0.1 1,-0.2 13,-0.0 -0.836 44.4 9.9-150.3 105.6 2.5 1.6 20.1 23 21 A G - 0 0 0 -2,-0.3 10,-3.1 10,-0.1 11,-0.6 0.039 68.6-113.2 107.2 145.2 0.7 -1.7 20.4 24 22 A K E -G 32 0B 36 8,-0.3 3,-0.2 9,-0.2 6,-0.0 -0.964 12.9-166.2-109.7 128.3 -1.0 -4.0 17.9 25 23 A E E S+ 0 0 95 6,-2.0 2,-0.3 -2,-0.5 -1,-0.1 0.853 89.4 5.5 -73.5 -36.5 -4.7 -4.5 17.9 26 24 A N E > -G 31 0B 71 5,-2.1 5,-2.3 1,-0.1 4,-0.4 -0.866 61.6-165.8-153.5 113.7 -4.3 -7.5 15.6 27 25 A Q T > 5S+ 0 0 117 -2,-0.3 3,-1.1 -3,-0.2 -1,-0.1 0.924 89.8 51.9 -63.4 -51.2 -1.0 -8.9 14.5 28 26 A A T 3 5S+ 0 0 84 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.839 119.8 35.2 -59.6 -34.6 -2.3 -11.1 11.7 29 27 A K T 3 5S- 0 0 125 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 0.390 105.8-128.2-100.5 5.5 -4.1 -8.2 10.1 30 28 A X T < 5 + 0 0 9 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.924 48.9 159.9 40.7 55.8 -1.5 -5.7 11.1 31 29 A I E < -G 26 0B 62 -5,-2.3 -5,-2.1 2,-0.0 -6,-2.0 -0.942 32.6-141.1 -98.5 118.8 -4.0 -3.3 12.7 32 30 A P E -G 24 0B 1 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.425 12.4-129.3 -80.0 156.8 -2.1 -1.1 15.0 33 31 A S S S+ 0 0 3 -10,-3.1 2,-0.3 1,-0.1 -9,-0.2 0.748 96.0 25.8 -70.9 -27.1 -3.5 -0.0 18.4 34 32 A T S S- 0 0 3 -11,-0.6 -1,-0.1 174,-0.1 2,-0.1 -0.986 82.0-119.9-136.8 145.2 -2.7 3.6 17.5 35 33 A S - 0 0 12 -2,-0.3 2,-0.3 -14,-0.1 121,-0.2 -0.337 34.9-150.6 -70.1 167.0 -2.4 5.5 14.3 36 34 A S E - B 0 155A 0 119,-2.2 119,-2.5 -15,-0.1 2,-0.4 -0.985 17.4-162.7-146.1 155.9 1.0 7.2 13.6 37 35 A I E +AB 19 154A 0 -18,-1.8 -19,-2.7 -2,-0.3 -18,-1.8 -0.999 20.2 178.2-137.9 136.5 2.5 10.2 11.9 38 36 A S E -AB 17 153A 0 115,-2.8 115,-2.6 -2,-0.4 2,-0.5 -0.951 29.6-123.5-141.1 158.1 6.2 10.5 11.0 39 37 A L E -AB 16 152A 0 -23,-2.5 -23,-2.0 -2,-0.3 2,-0.4 -0.867 27.5-136.8 -98.4 132.1 8.8 12.7 9.4 40 38 A T E -A 15 0A 0 111,-2.7 271,-2.4 -2,-0.5 2,-0.5 -0.764 22.8-141.3 -90.8 130.9 10.8 11.1 6.6 41 39 A L E > -H 310 0C 1 -27,-2.9 3,-0.6 -2,-0.4 -27,-0.5 -0.831 16.2-160.9-109.4 126.6 14.5 12.0 6.9 42 40 A E E 3 S+ 0 0 101 267,-2.1 268,-0.1 -2,-0.5 -1,-0.1 0.800 91.1 46.1 -66.9 -33.3 16.8 12.8 4.0 43 41 A N E 3 S+ 0 0 95 266,-0.6 2,-0.5 1,-0.1 -1,-0.2 0.400 102.6 65.6-100.3 1.3 20.1 12.2 5.9 44 42 A X E < S+ 0 0 6 -3,-0.6 -30,-3.0 -30,-0.2 2,-0.3 -0.990 71.3 119.7-124.2 120.4 19.3 8.9 7.6 45 43 A F E -A 13 0A 72 -2,-0.5 54,-0.5 -32,-0.3 2,-0.3 -0.980 46.3-136.8-164.7 166.5 18.8 5.9 5.3 46 44 A T E -A 12 0A 1 -34,-2.0 -34,-2.7 -2,-0.3 2,-0.4 -0.837 21.8-141.2-122.0 168.9 19.8 2.4 4.2 47 45 A T E -AC 11 97A 42 50,-2.0 50,-3.1 -2,-0.3 2,-0.4 -0.993 11.3-164.5-132.1 144.9 20.1 1.2 0.6 48 46 A T E -AC 10 96A 0 -38,-2.6 -38,-2.7 -2,-0.4 2,-0.4 -0.990 1.1-167.3-131.8 130.8 19.1 -2.1 -0.8 49 47 A S E -AC 9 95A 20 46,-2.6 46,-2.4 -2,-0.4 2,-0.4 -0.887 5.0-167.9-111.4 150.8 20.1 -3.7 -4.1 50 48 A V E +AC 8 94A 0 -42,-2.1 -42,-2.5 -2,-0.4 2,-0.3 -0.994 12.4 161.0-134.6 145.6 18.5 -6.7 -5.7 51 49 A S E -AC 7 93A 19 42,-1.6 42,-3.2 -2,-0.4 2,-0.2 -0.975 40.0 -94.6-153.4 158.8 19.6 -8.8 -8.7 52 50 A F E - C 0 92A 27 -46,-0.6 40,-0.3 -48,-0.5 -50,-0.2 -0.519 34.6-135.5 -76.8 145.6 18.9 -12.3 -10.1 53 51 A L - 0 0 16 38,-3.1 -50,-0.2 -2,-0.2 38,-0.2 -0.600 32.7 -87.7 -92.7 159.3 21.1 -15.2 -9.2 54 52 A P > - 0 0 35 0, 0.0 3,-1.9 0, 0.0 37,-0.3 -0.171 42.4-103.7 -61.0 165.1 22.4 -17.8 -11.7 55 53 A D T 3 S+ 0 0 149 -54,-0.3 -53,-0.0 1,-0.3 -2,-0.0 0.617 119.0 63.9 -71.7 -12.1 20.3 -20.9 -12.5 56 54 A T T 3 S+ 0 0 113 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 0.494 77.8 110.6 -84.3 -7.5 22.6 -23.0 -10.3 57 55 A A < - 0 0 20 -3,-1.9 3,-0.1 1,-0.1 34,-0.1 -0.332 54.4-158.4 -66.0 152.9 21.7 -21.0 -7.1 58 56 A T + 0 0 127 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.456 64.6 6.8-116.1 -3.5 19.7 -23.0 -4.6 59 57 A S S S- 0 0 58 32,-0.0 -1,-0.2 33,-0.0 32,-0.1 -0.977 81.5 -83.7-162.4 162.1 18.1 -20.1 -2.5 60 58 A D - 0 0 5 -2,-0.3 2,-0.4 31,-0.1 33,-0.2 -0.337 46.8-142.1 -59.1 156.2 17.5 -16.4 -2.3 61 59 A Q E -d 93 0A 46 31,-2.5 33,-3.0 16,-0.0 2,-0.4 -0.994 14.3-167.3-131.9 137.3 20.4 -14.7 -0.5 62 60 A F E +d 94 0A 0 -2,-0.4 7,-3.0 31,-0.2 2,-0.4 -0.983 7.8 179.3-131.3 118.4 20.3 -11.7 1.9 63 61 A Y E -dE 95 68A 57 31,-2.7 33,-3.0 -2,-0.4 2,-0.5 -0.948 12.3-165.5-116.9 139.8 23.4 -9.7 3.0 64 62 A I E > S-dE 96 67A 21 3,-2.2 3,-2.1 -2,-0.4 33,-0.2 -0.996 84.1 -16.7-121.1 123.8 23.6 -6.8 5.3 65 63 A N T 3 S- 0 0 71 31,-2.7 -1,-0.1 -2,-0.5 32,-0.1 0.892 131.4 -51.7 46.7 44.7 26.8 -4.8 5.1 66 64 A G T 3 S+ 0 0 58 30,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.475 112.8 121.4 78.2 1.7 28.4 -7.8 3.3 67 65 A I E < -E 64 0A 107 -3,-2.1 -3,-2.2 0, 0.0 -1,-0.2 -0.887 64.8-125.3-105.0 123.0 27.3 -10.3 5.9 68 66 A L E -E 63 0A 95 -2,-0.6 -5,-0.2 -5,-0.2 2,-0.1 -0.424 33.8-130.5 -62.7 132.2 25.1 -13.3 4.9 69 67 A Q - 0 0 50 -7,-3.0 -7,-0.2 1,-0.1 -1,-0.1 -0.315 19.6 -97.2 -86.8 167.9 22.0 -13.3 7.2 70 68 A N > - 0 0 93 -2,-0.1 4,-2.0 1,-0.1 -1,-0.1 -0.015 40.7 -92.3 -75.2-178.6 20.4 -16.2 9.2 71 69 A D H > S+ 0 0 140 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.867 122.0 54.9 -64.1 -40.1 17.5 -18.4 8.3 72 70 A E H > S+ 0 0 141 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 109.8 46.6 -62.6 -42.0 14.9 -16.3 9.9 73 71 A E H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 110.3 53.2 -68.3 -39.8 15.9 -13.2 7.9 74 72 A H H X S+ 0 0 29 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.897 106.6 54.0 -62.3 -39.1 16.0 -15.3 4.7 75 73 A T H X S+ 0 0 99 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.920 108.3 49.3 -58.5 -45.2 12.4 -16.4 5.5 76 74 A K H X S+ 0 0 92 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.922 114.5 43.9 -59.0 -45.6 11.2 -12.8 5.8 77 75 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.926 112.8 49.9 -73.1 -40.2 12.9 -11.7 2.5 78 76 A S H X S+ 0 0 25 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.858 103.8 61.9 -65.6 -31.6 11.7 -14.7 0.5 79 77 A A H < S+ 0 0 53 -4,-2.0 -1,-0.2 -5,-0.2 4,-0.2 0.876 109.8 41.0 -58.2 -38.3 8.2 -14.2 1.8 80 78 A I H >< S+ 0 0 5 -4,-1.2 3,-2.0 -3,-0.4 4,-0.5 0.942 113.5 51.3 -73.1 -49.2 8.2 -10.8 0.1 81 79 A I H >X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 3,-2.2 0.901 103.5 60.5 -57.8 -39.5 9.9 -12.0 -3.1 82 80 A D T 3< S+ 0 0 95 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.604 93.5 64.7 -65.0 -13.4 7.4 -14.8 -3.4 83 81 A Q T <4 S+ 0 0 91 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.661 117.2 27.1 -78.3 -18.1 4.6 -12.2 -3.7 84 82 A F T <4 S+ 0 0 5 -3,-2.2 -2,-0.2 -4,-0.5 -3,-0.1 0.735 103.8 87.6-110.4 -37.1 6.2 -11.0 -6.9 85 83 A R < - 0 0 32 -4,-2.7 3,-0.0 1,-0.0 39,-0.0 -0.368 61.3-147.5 -75.1 144.3 8.0 -14.0 -8.4 86 84 A Q > - 0 0 126 1,-0.1 3,-2.0 -2,-0.1 -2,-0.0 -0.789 39.9 -77.8-104.7 155.2 6.3 -16.6 -10.6 87 85 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.196 118.0 26.2 -49.3 133.6 7.2 -20.3 -10.7 88 86 A G T 3 S+ 0 0 86 1,-0.3 2,-0.1 -3,-0.0 -3,-0.0 0.277 90.0 122.7 95.9 -12.6 10.4 -20.9 -12.7 89 87 A Q < - 0 0 87 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 -0.482 65.6 -89.2 -83.4 160.1 12.0 -17.5 -12.2 90 88 A A - 0 0 36 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.027 36.8-100.0 -65.5 160.1 15.4 -17.1 -10.6 91 89 A F - 0 0 74 -37,-0.3 -38,-3.1 -38,-0.2 2,-0.4 -0.430 41.7-127.1 -70.4 161.2 16.5 -16.7 -7.0 92 90 A V E -C 52 0A 0 -40,-0.3 -31,-2.5 -2,-0.1 2,-0.5 -0.904 7.5-146.9-121.5 136.2 17.3 -13.2 -5.9 93 91 A K E -Cd 51 61A 59 -42,-3.2 -42,-1.6 -2,-0.4 2,-0.4 -0.944 18.4-168.6-100.5 123.7 20.4 -11.7 -4.2 94 92 A X E -Cd 50 62A 0 -33,-3.0 -31,-2.7 -2,-0.5 2,-0.5 -0.944 5.3-175.1-115.7 130.7 19.5 -8.8 -1.8 95 93 A E E -Cd 49 63A 77 -46,-2.4 -46,-2.6 -2,-0.4 2,-0.4 -0.973 2.6-170.7-130.6 113.6 22.3 -6.6 -0.4 96 94 A T E -Cd 48 64A 3 -33,-3.0 -31,-2.7 -2,-0.5 2,-0.5 -0.906 4.5-161.5-106.6 133.7 21.4 -3.9 2.2 97 95 A Q E -C 47 0A 75 -50,-3.1 -50,-2.0 -2,-0.4 2,-0.5 -0.965 8.7-179.4-116.3 127.4 24.0 -1.3 3.2 98 96 A N + 0 0 17 -2,-0.5 -52,-0.1 -52,-0.2 10,-0.1 -0.956 9.6 173.9-129.2 110.1 23.5 0.6 6.5 99 97 A N + 0 0 124 -2,-0.5 -53,-0.1 -54,-0.5 -1,-0.1 0.278 45.7 112.4 -98.3 7.4 26.1 3.2 7.3 100 98 A X S S- 0 0 30 -55,-0.2 -2,-0.1 1,-0.1 5,-0.1 -0.471 82.3 -95.3 -74.2 151.2 24.4 4.6 10.3 101 99 A P > - 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