==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 22-FEB-11 3QT7 . COMPND 2 MOLECULE: MEVALONATE DIPHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR M.L.BARTA,A.D.SKAFF,W.J.MCWHORTER,H.M.MIZIORKO,B.V.GEISBRECH . 644 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 20.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 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 . 47 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.7 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 1 0 0 0 1 1 0 3 1 0 0 3 1 0 2 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 6 0 4 4 2 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 0 204 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.6 49.0 -4.4 -26.3 2 2 A V - 0 0 75 48,-0.1 2,-0.5 49,-0.1 48,-0.2 -0.847 360.0-168.2-110.8 128.1 46.6 -7.3 -27.1 3 3 A K E +A 49 0A 115 46,-2.3 46,-3.8 -2,-0.5 2,-0.3 -0.934 16.5 170.2-113.8 117.8 44.7 -9.5 -24.5 4 4 A S E +A 48 0A 62 -2,-0.5 2,-0.3 44,-0.3 44,-0.2 -0.910 9.8 170.4-129.4 156.2 43.0 -12.6 -25.8 5 5 A G E -A 47 0A 6 42,-1.8 42,-2.9 -2,-0.3 2,-0.4 -0.973 12.5-158.4-157.8 148.6 41.3 -15.6 -24.3 6 6 A K E -A 46 0A 41 318,-0.4 318,-2.2 -2,-0.3 2,-0.3 -0.999 11.6-175.8-138.6 136.0 39.2 -18.5 -25.6 7 7 A A E -AB 45 323A 0 38,-2.5 38,-2.8 -2,-0.4 2,-0.5 -0.924 19.3-149.1-132.5 152.8 36.8 -20.7 -23.8 8 8 A R E +AB 44 322A 64 314,-3.4 314,-2.8 -2,-0.3 2,-0.4 -0.991 21.9 176.3-117.7 122.9 34.6 -23.7 -24.4 9 9 A A E -A 43 0A 0 34,-2.2 34,-2.8 -2,-0.5 2,-0.2 -0.980 20.7-135.1-124.4 141.4 31.4 -24.0 -22.4 10 10 A H E -A 42 0A 10 135,-0.5 32,-0.3 -2,-0.4 29,-0.1 -0.612 21.6-111.0 -94.6 152.7 28.8 -26.7 -22.8 11 11 A T E - 0 0 6 30,-2.5 27,-1.8 27,-0.3 2,-0.3 -0.302 31.1-151.8 -69.9 162.3 25.1 -26.2 -22.9 12 12 A N E -A 37 0A 7 25,-0.2 2,-0.4 136,-0.0 25,-0.2 -0.992 5.5-145.3-136.1 148.2 22.9 -27.4 -20.0 13 13 A I E -A 36 0A 12 23,-2.4 23,-2.3 -2,-0.3 2,-0.3 -0.955 22.8-125.0-112.2 133.5 19.3 -28.6 -19.8 14 14 A A E -A 35 0A 5 -2,-0.4 21,-0.3 21,-0.3 3,-0.2 -0.577 23.3-179.0 -76.8 130.6 17.2 -27.9 -16.7 15 15 A L E S+ 0 0 0 19,-3.3 2,-0.5 1,-0.3 223,-0.3 0.773 89.1 39.0 -93.4 -37.6 15.6 -30.8 -14.9 16 16 A I E S-A 34 0A 0 18,-2.2 18,-1.4 221,-0.1 -1,-0.3 -0.977 106.4-118.5-107.4 123.8 14.0 -28.4 -12.4 17 17 A K - 0 0 2 -2,-0.5 2,-0.5 16,-0.2 18,-0.0 -0.352 15.0-151.9 -76.7 133.3 12.9 -25.3 -14.3 18 18 A Y + 0 0 25 -2,-0.2 2,-0.2 16,-0.0 3,-0.1 -0.861 36.9 156.4 -81.5 127.1 14.0 -21.7 -14.1 19 19 A W + 0 0 9 -2,-0.5 172,-0.1 1,-0.4 -2,-0.0 -0.629 43.9 18.0-162.3 98.4 10.9 -19.9 -15.3 20 20 A G - 0 0 0 -2,-0.2 10,-2.6 10,-0.0 -1,-0.4 0.151 69.4-117.2 108.3 133.6 10.1 -16.3 -14.3 21 21 A K E -H 29 0B 17 8,-0.3 3,-0.2 1,-0.1 6,-0.0 -0.824 12.8-165.0-105.9 139.3 12.3 -13.5 -12.9 22 22 A A E S+ 0 0 60 6,-2.5 2,-0.5 -2,-0.4 -1,-0.1 0.819 97.2 28.7 -76.7 -38.0 12.2 -11.7 -9.6 23 23 A D E >> -H 28 0B 58 5,-2.3 5,-1.8 1,-0.1 4,-0.8 -0.934 64.3-173.3-128.9 110.3 14.5 -9.1 -11.2 24 24 A E T 45S+ 0 0 120 -2,-0.5 -1,-0.1 -3,-0.2 -2,-0.0 0.866 84.5 53.7 -67.1 -37.2 14.4 -8.5 -14.9 25 25 A T T 45S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.957 122.5 24.0 -67.0 -51.3 17.4 -6.1 -15.0 26 26 A Y T 45S- 0 0 100 2,-0.1 -1,-0.2 112,-0.0 -2,-0.2 0.390 107.8-118.2 -95.9 2.8 20.0 -8.3 -13.2 27 27 A I T <5 + 0 0 5 -4,-0.8 -3,-0.2 1,-0.2 112,-0.1 0.985 48.6 167.2 55.6 65.3 18.3 -11.6 -14.1 28 28 A I E < -H 23 0B 10 -5,-1.8 -6,-2.5 129,-0.1 -5,-2.3 -0.952 29.1-132.3-108.3 125.4 17.5 -12.9 -10.6 29 29 A P E -H 21 0B 2 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.308 11.0-126.7 -82.9 162.2 15.0 -15.8 -10.8 30 30 A M S S+ 0 0 40 -10,-2.6 2,-0.3 1,-0.1 -9,-0.1 0.671 92.2 9.5 -75.2 -18.6 11.8 -16.5 -8.9 31 31 A N S S- 0 0 1 -11,-0.4 -12,-0.1 124,-0.1 -1,-0.1 -0.976 84.0 -90.1-154.8 163.9 13.1 -19.9 -7.9 32 32 A N - 0 0 11 -2,-0.3 2,-0.3 -14,-0.1 122,-0.2 -0.379 39.5-160.4 -72.4 159.5 16.1 -22.3 -7.8 33 33 A S E - C 0 153A 0 120,-1.2 120,-2.5 -2,-0.1 2,-0.4 -0.935 9.9-149.3-140.2 162.8 16.8 -24.6 -10.7 34 34 A L E +AC 16 152A 0 -18,-1.4 -19,-3.3 -2,-0.3 -18,-2.2 -1.000 22.6 170.8-137.1 130.6 18.8 -27.8 -11.3 35 35 A S E -AC 14 151A 0 116,-2.9 116,-2.3 -2,-0.4 2,-0.4 -0.812 27.3-131.0-134.4 170.9 20.4 -28.8 -14.6 36 36 A V E -AC 13 150A 0 -23,-2.3 -23,-2.4 -2,-0.3 2,-0.5 -0.989 25.4-127.4-125.5 141.5 22.7 -31.3 -16.2 37 37 A T E -A 12 0A 2 112,-1.8 280,-1.9 -2,-0.4 112,-0.3 -0.765 22.5-133.2 -96.6 123.8 25.6 -30.2 -18.5 38 38 A L E -I 316 0C 0 -27,-1.8 -27,-0.3 -2,-0.5 278,-0.3 -0.552 7.2-155.5 -82.1 131.1 25.7 -31.9 -21.9 39 39 A D E S+ 0 0 71 276,-2.4 277,-0.1 -2,-0.3 -1,-0.1 0.853 89.3 51.3 -66.3 -37.4 28.9 -33.3 -23.3 40 40 A R E S+ 0 0 133 275,-0.6 2,-0.5 1,-0.1 -1,-0.2 0.751 101.5 59.0 -82.2 -24.4 28.0 -33.1 -27.0 41 41 A F E + 0 0 9 -30,-0.1 -30,-2.5 -3,-0.1 2,-0.3 -0.920 63.8 135.4-119.5 129.2 26.8 -29.5 -27.4 42 42 A Y E -AD 10 97A 52 55,-1.2 55,-3.0 -2,-0.5 2,-0.4 -0.955 41.8-121.6-161.0 165.0 28.9 -26.5 -26.6 43 43 A T E -AD 9 96A 0 -34,-2.8 -34,-2.2 -2,-0.3 2,-0.5 -0.969 14.2-153.8-119.3 139.8 30.1 -23.0 -27.7 44 44 A E E -AD 8 95A 21 51,-2.4 51,-2.6 -2,-0.4 2,-0.4 -0.962 19.4-177.6-111.0 125.3 33.7 -21.9 -28.3 45 45 A T E -AD 7 94A 3 -38,-2.8 -38,-2.5 -2,-0.5 2,-0.4 -0.973 11.8-170.7-133.4 123.6 34.3 -18.2 -27.8 46 46 A K E -AD 6 93A 67 47,-3.2 47,-2.9 -2,-0.4 2,-0.4 -0.909 5.8-167.8-110.0 138.3 37.4 -16.2 -28.3 47 47 A V E -AD 5 92A 0 -42,-2.9 -42,-1.8 -2,-0.4 2,-0.5 -0.995 2.3-167.5-127.7 130.7 37.7 -12.6 -27.2 48 48 A T E -AD 4 91A 23 43,-2.4 43,-2.6 -2,-0.4 2,-0.5 -0.967 7.6-156.5-122.2 115.2 40.5 -10.3 -28.2 49 49 A F E +AD 3 90A 0 -46,-3.8 -46,-2.3 -2,-0.5 41,-0.2 -0.809 17.8 172.7 -92.7 130.0 40.9 -7.0 -26.4 50 50 A D > - 0 0 34 39,-1.7 3,-1.5 -2,-0.5 39,-0.5 -0.979 35.6-142.7-144.4 122.5 42.7 -4.2 -28.3 51 51 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 0.812 105.0 59.5 -47.0 -38.9 43.2 -0.5 -27.3 52 52 A D T 3 S+ 0 0 130 -3,-0.1 2,-0.1 37,-0.0 -3,-0.0 0.809 83.1 98.3 -63.6 -32.1 42.9 0.4 -31.0 53 53 A F < - 0 0 66 -3,-1.5 36,-0.5 36,-0.2 3,-0.1 -0.376 51.7-173.9 -61.4 135.0 39.4 -1.1 -31.1 54 54 A T + 0 0 121 1,-0.3 2,-0.3 34,-0.1 -1,-0.1 0.440 68.7 18.0-109.7 -5.7 36.8 1.6 -30.7 55 55 A E S S- 0 0 85 34,-0.0 -1,-0.3 2,-0.0 2,-0.2 -0.966 88.0 -95.1-162.8 148.2 33.7 -0.6 -30.5 56 56 A D - 0 0 0 -2,-0.3 2,-0.4 33,-0.1 35,-0.2 -0.525 37.4-160.8 -71.8 142.2 33.0 -4.3 -29.7 57 57 A C E -e 91 0A 46 33,-2.5 35,-3.8 -2,-0.2 2,-0.5 -0.968 3.0-160.2-125.8 137.4 32.7 -6.6 -32.7 58 58 A L E -e 92 0A 29 -2,-0.4 7,-0.7 33,-0.2 2,-0.5 -0.980 6.4-174.1-123.5 125.9 31.0 -10.0 -32.8 59 59 A I E -eF 93 64A 31 33,-3.5 35,-3.1 -2,-0.5 2,-0.5 -0.981 9.2-168.1-117.6 122.9 31.6 -12.7 -35.4 60 60 A L E > S-eF 94 63A 53 3,-2.5 3,-1.9 -2,-0.5 35,-0.2 -0.945 70.5 -19.4-120.6 117.0 29.4 -15.8 -35.1 61 61 A N T 3 S- 0 0 73 33,-3.2 -1,-0.2 -2,-0.5 34,-0.1 0.893 128.8 -52.9 51.2 41.4 30.1 -18.9 -37.0 62 62 A G T 3 S+ 0 0 58 32,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.364 117.9 107.5 84.4 -2.3 32.2 -16.8 -39.4 63 63 A N E < S-F 60 0A 104 -3,-1.9 -3,-2.5 1,-0.1 -1,-0.2 -0.800 75.8 -99.7-121.3 152.5 29.4 -14.2 -40.0 64 64 A E E -F 59 0A 181 -2,-0.3 -5,-0.1 -5,-0.2 -1,-0.1 -0.293 27.6-153.3 -52.6 142.4 28.3 -10.7 -39.2 65 65 A V - 0 0 23 -7,-0.7 4,-0.3 1,-0.1 -1,-0.1 0.796 37.9-113.5 -92.7 -30.9 25.7 -10.7 -36.4 66 66 A N > - 0 0 90 -8,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.114 29.5 -80.0 104.0 153.7 23.8 -7.5 -37.3 67 67 A A H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.749 125.4 55.6 -62.0 -25.0 23.5 -4.1 -35.6 68 68 A K H > S+ 0 0 158 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.981 114.4 35.4 -68.3 -60.1 20.8 -5.4 -33.2 69 69 A E H > S+ 0 0 82 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.847 116.7 58.6 -61.5 -33.4 22.8 -8.3 -31.8 70 70 A K H X S+ 0 0 59 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.940 106.9 45.1 -60.2 -50.6 25.9 -6.1 -32.1 71 71 A E H X S+ 0 0 98 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.940 112.6 52.4 -58.2 -48.5 24.3 -3.5 -29.8 72 72 A K H X S+ 0 0 84 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.874 108.8 49.5 -55.6 -41.2 23.1 -6.2 -27.4 73 73 A I H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.877 107.8 53.5 -71.3 -36.4 26.6 -7.6 -27.1 74 74 A Q H X S+ 0 0 24 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.880 105.4 54.2 -65.4 -39.2 28.2 -4.2 -26.5 75 75 A N H X S+ 0 0 83 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.940 110.9 47.0 -56.2 -45.2 25.8 -3.6 -23.6 76 76 A Y H >X S+ 0 0 9 -4,-1.7 4,-1.3 1,-0.2 3,-0.9 0.931 108.5 53.4 -62.7 -48.1 27.0 -6.9 -22.1 77 77 A M H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 -1,-0.2 0.803 97.7 66.6 -59.9 -29.2 30.7 -6.2 -22.6 78 78 A N H 3X S+ 0 0 79 -4,-1.7 4,-2.7 2,-0.2 -1,-0.3 0.920 98.0 53.5 -54.7 -44.0 30.1 -2.9 -20.7 79 79 A I H S+ 0 0 15 -4,-2.8 5,-1.7 2,-0.2 4,-1.1 0.874 111.3 48.5 -65.6 -38.0 34.6 -3.4 -18.7 82 82 A D H <5S+ 0 0 138 -4,-2.7 3,-0.5 -5,-0.2 -2,-0.2 0.957 114.1 47.3 -65.4 -47.7 33.0 -2.2 -15.5 83 83 A L H <5S+ 0 0 84 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.2 42.6 -56.9 -45.5 34.1 -5.4 -13.8 84 84 A A H <5S- 0 0 28 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.634 105.1-126.5 -78.6 -15.8 37.7 -5.3 -15.1 85 85 A G T <5S+ 0 0 71 -4,-1.1 2,-0.2 -3,-0.5 -3,-0.2 0.844 72.6 107.5 68.0 34.8 38.1 -1.6 -14.5 86 86 A N < - 0 0 42 -5,-1.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.760 67.0-140.3-130.2-178.2 39.1 -0.9 -18.1 87 87 A R + 0 0 226 -2,-0.2 2,-0.2 -3,-0.1 -6,-0.1 0.105 53.3 138.6-130.0 19.3 37.7 0.7 -21.2 88 88 A L - 0 0 41 -7,-0.1 2,-0.2 1,-0.0 -2,-0.1 -0.457 42.1-144.6 -72.2 132.5 39.0 -1.9 -23.7 89 89 A H - 0 0 44 -39,-0.5 -39,-1.7 -36,-0.5 2,-0.4 -0.608 17.1-140.8 -95.7 160.8 36.7 -3.0 -26.5 90 90 A A E -D 49 0A 0 -2,-0.2 -33,-2.5 -41,-0.2 2,-0.6 -0.896 15.3-140.4-130.2 146.0 36.8 -6.6 -27.8 91 91 A R E -De 48 57A 88 -43,-2.6 -43,-2.4 -2,-0.4 2,-0.5 -0.941 30.0-159.1 -97.6 121.4 36.6 -8.5 -31.0 92 92 A I E -De 47 58A 3 -35,-3.8 -33,-3.5 -2,-0.6 2,-0.5 -0.901 12.7-175.7-108.2 124.0 34.5 -11.6 -30.2 93 93 A E E +De 46 59A 57 -47,-2.9 -47,-3.2 -2,-0.5 2,-0.4 -0.974 15.1 173.5-119.6 115.6 34.7 -14.7 -32.4 94 94 A S E -De 45 60A 7 -35,-3.1 -33,-3.2 -2,-0.5 2,-0.4 -0.950 20.4-165.4-127.9 143.6 32.3 -17.4 -31.5 95 95 A E E -D 44 0A 63 -51,-2.6 -51,-2.4 -2,-0.4 2,-0.6 -0.993 15.0-146.4-123.9 123.4 31.2 -20.8 -32.9 96 96 A N E -D 43 0A 27 -2,-0.4 -53,-0.2 -53,-0.2 4,-0.1 -0.817 13.0-175.2 -88.1 119.9 28.1 -22.6 -31.7 97 97 A Y E +D 42 0A 104 -55,-3.0 -55,-1.2 -2,-0.6 -54,-0.1 -0.404 55.8 107.2-102.5 51.2 28.4 -26.4 -31.8 98 98 A V S S- 0 0 10 -57,-0.2 2,-2.9 -2,-0.1 3,-0.3 -0.993 84.1-113.9-129.5 132.4 24.8 -26.6 -30.7 99 99 A P > + 0 0 33 0, 0.0 5,-2.0 0, 0.0 -2,-0.1 -0.385 53.3 157.4 -66.0 71.2 22.0 -27.7 -33.1 100 100 A T T > 5 + 0 0 65 -2,-2.9 3,-2.0 1,-0.2 6,-0.1 0.863 69.1 55.0 -69.3 -39.0 20.4 -24.2 -33.0 101 101 A A T 3 5S+ 0 0 110 1,-0.3 -1,-0.2 -3,-0.3 0, 0.0 0.859 104.9 56.2 -61.9 -31.9 18.5 -24.7 -36.3 102 102 A A T 3 5S- 0 0 29 2,-0.1 -1,-0.3 -3,-0.1 81,-0.3 0.315 128.6-102.0 -80.5 7.2 17.0 -27.8 -34.8 103 103 A G T < 5S+ 0 0 51 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.399 73.8 141.0 90.1 -3.4 15.8 -25.6 -31.9 104 104 A L < - 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