==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 14-FEB-12 4DPT . COMPND 2 MOLECULE: MEVALONATE DIPHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR M.L.BARTA,W.J.MCWHORTER,B.V.GEISBRECHT . 641 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 74.6 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 . 132 20.6 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 . 1 0.2 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 . 43 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 33.1 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 0 0 0 1 0 3 0 2 0 0 0 3 0 1 2 0 4 0 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 3 5 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 0 203 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.8 -22.2 4.6 9.7 2 2 A V - 0 0 73 48,-0.1 2,-0.6 49,-0.1 48,-0.2 -0.861 360.0-147.1 -93.1 130.7 -20.7 1.4 8.4 3 3 A K E +A 49 0A 92 46,-1.8 46,-3.3 -2,-0.5 2,-0.3 -0.875 26.2 163.2-104.7 121.2 -18.2 -0.1 10.9 4 4 A S E +A 48 0A 61 -2,-0.6 2,-0.3 44,-0.2 44,-0.2 -0.918 11.6 170.0-136.6 164.8 -15.2 -2.0 9.6 5 5 A G E -A 47 0A 8 42,-2.0 42,-2.8 -2,-0.3 2,-0.4 -0.954 15.1-149.7-168.2 150.0 -11.8 -3.3 10.7 6 6 A K E +A 46 0A 77 313,-0.5 313,-2.5 -2,-0.3 2,-0.3 -0.979 15.6 179.6-133.0 140.2 -9.0 -5.6 9.5 7 7 A A E -AB 45 318A 0 38,-2.5 38,-2.3 -2,-0.4 2,-0.4 -0.951 20.5-142.5-138.7 157.5 -6.5 -7.8 11.3 8 8 A R E +AB 44 317A 44 309,-3.3 309,-3.1 -2,-0.3 2,-0.4 -0.984 21.2 176.0-118.5 131.1 -3.6 -10.2 10.8 9 9 A A E -A 43 0A 0 34,-2.1 34,-2.9 -2,-0.4 2,-0.2 -1.000 18.6-139.5-135.1 135.2 -3.1 -13.2 13.0 10 10 A H E -A 42 0A 6 135,-0.4 32,-0.3 -2,-0.4 29,-0.1 -0.593 21.1-110.2 -92.0 150.7 -0.5 -15.9 12.7 11 11 A T E - 0 0 8 30,-2.8 27,-2.7 27,-0.3 2,-0.3 -0.238 32.1-155.4 -67.7 167.3 -0.8 -19.7 13.1 12 12 A N E -A 37 0A 12 25,-0.3 2,-0.5 299,-0.1 25,-0.3 -0.984 8.5-136.0-145.0 150.8 0.8 -21.4 16.1 13 13 A I E -A 36 0A 18 23,-2.6 23,-1.5 -2,-0.3 2,-0.3 -0.943 22.6-124.4-113.9 126.6 2.0 -24.9 16.8 14 14 A A E +A 35 0A 6 -2,-0.5 21,-0.3 21,-0.2 3,-0.2 -0.505 26.4 176.4 -69.8 125.5 1.3 -26.6 20.1 15 15 A L E S+ 0 0 0 19,-3.6 2,-0.6 1,-0.4 218,-0.2 0.770 87.9 37.2 -96.7 -36.4 4.4 -27.9 22.0 16 16 A I E S-A 34 0A 0 18,-2.0 18,-1.7 216,-0.1 -1,-0.4 -0.971 109.3-122.0-112.4 111.2 2.3 -29.1 24.9 17 17 A K - 0 0 2 -2,-0.6 2,-0.7 -3,-0.2 18,-0.1 -0.144 11.2-143.5 -66.0 139.0 -0.8 -30.3 23.2 18 18 A Y + 0 0 25 15,-0.1 2,-0.3 16,-0.1 -1,-0.1 -0.906 38.5 160.4 -89.0 119.3 -4.3 -29.2 23.7 19 19 A W + 0 0 14 -2,-0.7 -2,-0.0 1,-0.3 169,-0.0 -0.794 44.0 13.4-148.7 100.4 -6.1 -32.5 23.4 20 20 A G - 0 0 0 -2,-0.3 10,-2.5 10,-0.1 11,-0.4 0.201 67.6-118.8 105.8 132.8 -9.7 -33.0 24.7 21 21 A K E -H 29 0B 34 8,-0.3 3,-0.2 1,-0.1 6,-0.0 -0.833 9.5-162.5-104.5 137.7 -12.3 -30.6 25.9 22 22 A A E S+ 0 0 59 6,-2.4 2,-0.5 -2,-0.4 -1,-0.1 0.832 95.5 28.1 -74.2 -38.8 -13.9 -30.4 29.4 23 23 A D E >> -H 28 0B 66 5,-2.3 5,-1.8 1,-0.1 4,-0.6 -0.951 64.2-167.6-131.4 117.4 -16.7 -28.3 27.8 24 24 A E T 45S+ 0 0 115 -2,-0.5 -1,-0.1 -3,-0.2 -2,-0.0 0.779 86.9 50.2 -72.9 -27.7 -17.6 -28.7 24.1 25 25 A T T 45S+ 0 0 97 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.928 121.1 29.0 -81.5 -45.6 -19.8 -25.6 23.9 26 26 A Y T 45S- 0 0 95 2,-0.1 -1,-0.2 112,-0.0 -2,-0.2 0.339 106.6-119.1 -94.4 6.1 -17.5 -23.0 25.4 27 27 A I T <5 + 0 0 19 -4,-0.6 -3,-0.2 1,-0.2 112,-0.1 0.982 49.3 168.1 49.9 64.8 -14.3 -24.8 24.2 28 28 A I E < -H 23 0B 5 -5,-1.8 -6,-2.4 129,-0.1 -5,-2.3 -0.960 26.3-136.9-103.3 126.3 -12.9 -25.3 27.7 29 29 A P E -H 21 0B 2 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.426 14.3-128.0 -87.1 157.6 -9.9 -27.8 27.6 30 30 A M S S+ 0 0 38 -10,-2.5 2,-0.3 1,-0.1 -9,-0.1 0.728 92.6 15.9 -68.8 -24.2 -8.9 -30.7 29.8 31 31 A N S S- 0 0 2 -11,-0.4 -1,-0.1 124,-0.1 -12,-0.1 -0.988 83.1 -95.3-147.9 161.2 -5.5 -29.2 30.2 32 32 A N - 0 0 14 -2,-0.3 2,-0.3 -14,-0.1 122,-0.2 -0.318 42.2-158.1 -64.4 156.8 -3.3 -26.2 29.8 33 33 A S E - C 0 153A 0 120,-1.5 120,-2.4 -15,-0.1 2,-0.4 -0.953 9.6-150.3-141.6 159.4 -1.3 -26.0 26.5 34 34 A L E +AC 16 152A 0 -18,-1.7 -19,-3.6 -2,-0.3 -18,-2.0 -0.995 21.9 166.6-135.6 130.0 1.8 -24.2 25.2 35 35 A S E -AC 14 151A 0 116,-2.7 116,-1.8 -2,-0.4 2,-0.4 -0.780 29.4-131.3-135.8 177.0 2.6 -23.1 21.7 36 36 A V E -AC 13 150A 2 -23,-1.5 -23,-2.6 -2,-0.2 2,-0.3 -0.997 26.0-130.2-131.7 135.6 4.8 -21.0 19.5 37 37 A T E -A 12 0A 2 112,-1.4 275,-1.8 -2,-0.4 2,-0.5 -0.680 24.0-129.6 -88.5 139.7 3.4 -18.6 16.9 38 38 A L E -I 311 0C 0 -27,-2.7 3,-0.3 -2,-0.3 -27,-0.3 -0.779 8.3-151.9-103.1 131.7 4.8 -18.8 13.4 39 39 A D E S+ 0 0 56 271,-2.6 272,-0.1 -2,-0.5 -1,-0.1 0.816 92.2 51.8 -55.2 -40.3 6.2 -16.0 11.3 40 40 A R E S+ 0 0 135 270,-0.6 2,-0.5 1,-0.1 -1,-0.2 0.785 100.5 59.4 -80.8 -26.5 5.4 -17.6 7.9 41 41 A F E + 0 0 8 -3,-0.3 -30,-2.8 -30,-0.1 2,-0.3 -0.897 62.3 139.4-119.0 125.8 1.7 -18.5 8.2 42 42 A Y E -AD 10 97A 46 55,-1.1 55,-3.2 -2,-0.5 2,-0.4 -0.974 39.4-126.9-156.3 161.6 -1.1 -16.2 8.9 43 43 A T E -AD 9 96A 0 -34,-2.9 -34,-2.1 -2,-0.3 2,-0.5 -0.936 14.2-156.7-114.0 138.0 -4.7 -15.1 8.1 44 44 A E E -AD 8 95A 25 51,-2.7 51,-2.9 -2,-0.4 2,-0.4 -0.978 18.6-178.0-114.1 128.6 -5.8 -11.6 7.1 45 45 A T E -AD 7 94A 3 -38,-2.3 -38,-2.5 -2,-0.5 2,-0.4 -0.991 15.1-166.7-135.6 127.9 -9.4 -10.8 7.8 46 46 A K E -AD 6 93A 63 47,-2.4 47,-2.7 -2,-0.4 2,-0.4 -0.946 9.8-167.0-110.1 131.8 -11.6 -7.8 7.1 47 47 A V E -AD 5 92A 0 -42,-2.8 -42,-2.0 -2,-0.4 2,-0.4 -0.965 4.8-173.3-120.4 139.3 -15.0 -7.4 8.7 48 48 A T E -AD 4 91A 20 43,-1.8 43,-2.8 -2,-0.4 2,-0.5 -0.954 7.7-159.6-135.1 112.9 -17.6 -4.9 7.8 49 49 A F E +AD 3 90A 0 -46,-3.3 -46,-1.8 -2,-0.4 41,-0.2 -0.808 15.0 178.2 -92.0 127.5 -20.8 -4.4 9.8 50 50 A D E > - D 0 89A 28 39,-1.9 3,-1.1 -2,-0.5 39,-0.7 -0.995 33.6-143.0-135.7 128.6 -23.7 -2.8 7.9 51 51 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 0.821 107.4 56.0 -52.5 -36.5 -27.3 -2.0 9.2 52 52 A D T 3 S+ 0 0 136 -3,-0.1 2,-0.1 37,-0.0 -3,-0.0 0.786 83.4 98.9 -67.5 -30.9 -28.5 -2.9 5.7 53 53 A F < - 0 0 69 -3,-1.1 36,-0.5 36,-0.2 3,-0.1 -0.389 55.7-166.4 -59.2 133.5 -26.8 -6.3 5.7 54 54 A T + 0 0 126 1,-0.2 2,-0.3 34,-0.1 -1,-0.2 0.673 66.3 9.1 -97.3 -19.8 -29.5 -8.9 6.6 55 55 A E S S- 0 0 99 34,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.971 86.4 -82.6-152.9 169.0 -27.1 -11.8 7.3 56 56 A D - 0 0 0 -2,-0.3 2,-0.4 33,-0.1 35,-0.2 -0.586 41.4-167.8 -78.6 129.5 -23.5 -12.7 7.8 57 57 A C E -e 91 0A 35 33,-2.5 35,-3.8 -2,-0.3 2,-0.5 -0.976 4.7-163.5-123.5 129.2 -21.5 -13.3 4.7 58 58 A L E -e 92 0A 17 -2,-0.4 7,-1.5 33,-0.2 2,-0.6 -0.948 7.2-174.3-116.8 116.6 -18.0 -14.9 4.4 59 59 A I E -eF 93 64A 19 33,-3.2 35,-3.2 -2,-0.5 2,-0.5 -0.951 14.4-172.8-100.6 118.7 -15.7 -14.6 1.4 60 60 A L E > -eF 94 63A 52 3,-2.6 3,-1.5 -2,-0.6 35,-0.2 -0.962 67.8 -13.8-118.8 123.7 -12.7 -16.8 2.0 61 61 A N T 3 S- 0 0 67 33,-3.1 2,-0.3 -2,-0.5 -1,-0.2 0.931 130.1 -53.0 48.9 49.2 -9.8 -16.8 -0.4 62 62 A G T 3 S+ 0 0 54 32,-0.4 2,-0.3 -3,-0.2 -1,-0.3 -0.014 119.9 96.0 85.7 -31.3 -11.9 -15.0 -3.0 63 63 A N E < S-F 60 0A 120 -3,-1.5 -3,-2.6 -2,-0.3 -1,-0.1 -0.717 77.7-111.7-103.4 143.8 -14.8 -17.4 -3.0 64 64 A E E -F 59 0A 154 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.441 42.7-123.7 -58.6 138.5 -18.1 -17.6 -1.2 65 65 A V - 0 0 34 -7,-1.5 -7,-0.1 1,-0.2 -1,-0.1 -0.436 28.4 -94.2 -86.4 164.2 -18.1 -20.5 1.3 66 66 A N > - 0 0 105 -2,-0.1 4,-1.9 1,-0.1 -1,-0.2 0.089 40.9 -92.7 -69.6-174.1 -20.6 -23.3 1.4 67 67 A A H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.840 121.4 54.0 -72.7 -34.6 -23.7 -23.6 3.4 68 68 A K H > S+ 0 0 177 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.885 110.6 46.4 -70.9 -38.2 -22.2 -25.5 6.3 69 69 A E H > S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.906 108.0 56.5 -68.8 -42.9 -19.5 -22.8 6.8 70 70 A K H X S+ 0 0 57 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.938 109.1 47.3 -52.5 -47.7 -22.1 -20.0 6.5 71 71 A E H X S+ 0 0 107 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.965 112.3 49.4 -59.5 -51.6 -23.9 -21.6 9.4 72 72 A K H X S+ 0 0 98 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.877 115.3 42.7 -54.3 -43.1 -20.8 -22.0 11.5 73 73 A I H X S+ 0 0 10 -4,-2.9 4,-2.7 2,-0.2 3,-0.3 0.909 110.1 56.1 -75.2 -39.6 -19.7 -18.4 11.0 74 74 A Q H X S+ 0 0 24 -4,-2.8 4,-1.4 -5,-0.3 -2,-0.2 0.931 106.7 52.2 -54.5 -45.8 -23.1 -17.0 11.5 75 75 A N H X S+ 0 0 81 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.822 109.8 47.6 -61.8 -33.9 -23.2 -18.7 14.9 76 76 A Y H >X S+ 0 0 8 -4,-1.1 4,-1.3 -3,-0.3 3,-0.7 0.926 106.4 56.6 -74.6 -47.5 -19.9 -17.2 15.9 77 77 A M H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.794 98.3 64.5 -50.4 -31.5 -20.9 -13.7 14.8 78 78 A N H 3X S+ 0 0 73 -4,-1.4 4,-3.1 1,-0.2 -1,-0.2 0.942 99.9 50.6 -59.2 -47.2 -23.9 -14.1 17.2 79 79 A I H S+ 0 0 15 -4,-2.8 5,-1.7 1,-0.2 4,-1.6 0.955 112.5 51.5 -54.2 -52.3 -23.2 -9.3 18.5 82 82 A D H <5S+ 0 0 134 -4,-3.1 3,-0.3 1,-0.2 -1,-0.2 0.907 113.1 44.8 -50.2 -46.0 -24.1 -10.4 22.0 83 83 A L H <5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.903 116.2 45.4 -69.7 -39.6 -20.8 -9.2 23.3 84 84 A A H <5S- 0 0 29 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.592 107.7-125.3 -80.0 -10.9 -21.0 -5.9 21.5 85 85 A G T <5S+ 0 0 68 -4,-1.6 2,-0.2 -3,-0.3 -3,-0.2 0.882 72.3 100.3 67.3 40.5 -24.6 -5.3 22.5 86 86 A N < - 0 0 43 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.738 67.6-134.1-142.1-169.7 -25.8 -4.9 18.9 87 87 A R + 0 0 224 -2,-0.2 2,-0.2 -3,-0.1 -6,-0.1 0.098 51.2 134.6-142.2 19.8 -27.6 -6.6 16.0 88 88 A L - 0 0 42 -7,-0.1 2,-0.3 -39,-0.0 -2,-0.1 -0.520 44.1-142.1 -75.5 141.5 -25.5 -5.7 12.9 89 89 A H E -D 50 0A 46 -39,-0.7 -39,-1.9 -36,-0.5 2,-0.4 -0.704 21.7-141.8 -98.6 158.3 -24.7 -8.5 10.4 90 90 A A E -D 49 0A 0 -2,-0.3 -33,-2.5 -41,-0.2 2,-0.6 -0.904 16.3-139.1-131.9 147.8 -21.3 -8.5 8.8 91 91 A R E -De 48 57A 107 -43,-2.8 -43,-1.8 -2,-0.4 2,-0.5 -0.917 26.8-163.1 -98.7 121.7 -19.4 -9.2 5.6 92 92 A I E -De 47 58A 3 -35,-3.8 -33,-3.2 -2,-0.6 2,-0.5 -0.915 9.3-172.7-108.3 125.9 -16.2 -11.0 6.3 93 93 A E E +De 46 59A 77 -47,-2.7 -47,-2.4 -2,-0.5 2,-0.4 -0.957 17.1 175.8-118.7 111.8 -13.5 -11.1 3.6 94 94 A S E -De 45 60A 6 -35,-3.2 -33,-3.1 -2,-0.5 -32,-0.4 -0.902 20.8-166.3-123.6 144.0 -10.6 -13.4 4.6 95 95 A E E -D 44 0A 75 -51,-2.9 -51,-2.7 -2,-0.4 2,-0.6 -0.992 13.7-149.6-125.2 123.3 -7.4 -14.6 3.0 96 96 A N E -D 43 0A 22 -2,-0.4 2,-0.5 -53,-0.2 -53,-0.2 -0.826 9.0-170.4 -89.6 120.4 -5.5 -17.6 4.5 97 97 A Y E +D 42 0A 112 -55,-3.2 -55,-1.1 -2,-0.6 -54,-0.1 -0.455 56.8 110.1-100.0 56.9 -1.8 -17.4 3.9 98 98 A V S S- 0 0 13 -2,-0.5 2,-2.3 -57,-0.2 3,-0.3 -0.992 78.8-121.1-135.8 131.3 -1.5 -20.9 5.2 99 99 A P > > + 0 0 39 0, 0.0 5,-1.7 0, 0.0 3,-1.1 -0.368 49.3 155.5 -74.3 63.6 -0.7 -24.0 3.2 100 100 A T G > 5 + 0 0 61 -2,-2.3 3,-1.7 1,-0.3 6,-0.1 0.794 67.8 61.4 -61.2 -31.5 -4.0 -25.8 4.1 101 101 A A G 3 5S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.3 0, 0.0 0.796 102.3 53.9 -68.8 -22.2 -3.9 -28.0 1.0 102 102 A A G < 5S- 0 0 34 -3,-1.1 -1,-0.3 2,-0.1 81,-0.3 0.363 131.4 -98.7 -89.2 2.3 -0.6 -29.3 2.4 103 103 A G T < 5S+ 0 0 56 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.417 75.5 141.5 99.7 -0.9 -2.5 -30.1 5.6 104 104 A L < - 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