==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-03 1VIS . COMPND 2 MOLECULE: MEVALONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR STRUCTURAL GENOMIX . 314 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 0 0 0 2 2 0 0 0 1 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 3 2 1 0 0 1 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 1 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 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 0 A S 0 0 108 0, 0.0 37,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 46.1 30.4 24.8 18.9 2 1 A L E -A 37 0A 45 35,-0.7 35,-1.9 121,-0.1 2,-0.4 -0.564 360.0-140.0 -99.4 164.0 28.8 23.6 22.2 3 2 A I E -A 36 0A 109 33,-0.2 2,-0.5 -2,-0.2 33,-0.2 -0.992 12.4-160.1-126.7 123.6 28.0 25.4 25.4 4 3 A I E -A 35 0A 26 31,-3.6 31,-2.9 -2,-0.4 2,-0.6 -0.896 3.8-166.6-107.7 130.5 28.6 23.8 28.7 5 4 A E E -A 34 0A 117 -2,-0.5 29,-0.2 29,-0.2 -2,-0.0 -0.916 14.1-162.9-117.7 103.3 26.8 25.1 31.8 6 5 A T E -A 33 0A 1 27,-1.0 27,-1.8 -2,-0.6 109,-0.1 -0.719 14.3-122.7 -93.7 135.0 28.4 23.7 34.9 7 6 A P E - 0 0 5 0, 0.0 2,-0.2 0, 0.0 23,-0.2 0.002 19.6-129.2 -63.2 171.1 26.7 23.7 38.3 8 7 A S E -A 29 0A 0 21,-2.5 21,-1.6 151,-0.1 2,-0.3 -0.521 20.1-131.9-112.4-175.3 28.1 25.2 41.6 9 8 A K E -A 28 0A 8 101,-2.4 2,-0.3 19,-0.3 19,-0.2 -0.996 18.1-178.1-148.5 147.5 28.5 23.6 45.0 10 9 A V E -A 27 0A 0 17,-2.1 17,-3.5 -2,-0.3 2,-0.6 -0.997 26.1-127.5-145.6 140.4 27.7 24.2 48.7 11 10 A I E -A 26 0A 17 98,-0.3 15,-0.3 -2,-0.3 3,-0.1 -0.777 18.0-173.9 -89.4 123.7 28.3 22.4 51.9 12 11 A L E S- 0 0 2 13,-3.5 2,-0.3 -2,-0.6 -1,-0.2 0.827 71.9 -8.4 -82.9 -36.4 25.1 22.1 53.9 13 12 A F E S+A 25 0A 0 12,-1.0 12,-3.0 2,-0.0 -1,-0.4 -0.969 112.1 51.4-159.5 148.8 26.8 20.5 57.0 14 13 A G > + 0 0 0 -2,-0.3 4,-2.1 10,-0.2 5,-0.3 0.367 52.0 160.7 104.6 -5.2 30.2 19.2 57.9 15 14 A E T 4 S+ 0 0 15 1,-0.2 4,-0.2 2,-0.2 262,-0.1 0.638 80.6 4.7 -13.3 -70.1 32.5 22.1 56.8 16 15 A H T >4 S+ 0 0 6 260,-0.1 3,-0.9 2,-0.1 -1,-0.2 0.714 119.8 70.5-102.1 -22.8 35.6 21.2 58.9 17 16 A A G >4>S+ 0 0 0 1,-0.2 3,-3.5 -3,-0.2 5,-1.4 0.853 83.6 71.9 -62.2 -37.8 34.8 17.9 60.5 18 17 A V G ><5S+ 0 0 18 -4,-2.1 3,-1.3 1,-0.3 152,-0.5 0.844 89.0 65.2 -45.4 -38.1 34.9 16.1 57.1 19 18 A V G < 5S+ 0 0 85 -3,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.712 100.3 51.0 -58.7 -24.1 38.7 16.6 57.4 20 19 A Y G < 5S- 0 0 69 -3,-3.5 -1,-0.3 -4,-0.2 -2,-0.2 -0.152 132.3 -81.0-111.0 39.3 38.7 14.3 60.5 21 20 A G T < 5S+ 0 0 31 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.463 95.5 121.7 81.0 -0.2 36.9 11.3 59.2 22 21 A Y < - 0 0 34 -5,-1.4 148,-0.7 1,-0.1 2,-0.3 -0.185 64.8 -86.9 -85.6-176.2 33.4 12.8 59.7 23 22 A R E - B 0 169A 23 146,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.656 27.3-161.0 -98.6 150.2 30.7 13.4 57.1 24 23 A A E - B 0 168A 2 144,-2.5 144,-3.7 -2,-0.3 2,-0.7 -0.984 9.5-150.5-125.8 137.4 30.1 16.4 54.8 25 24 A I E -AB 13 167A 0 -12,-3.0 -13,-3.5 -2,-0.4 -12,-1.0 -0.925 24.1-175.8-110.0 104.0 26.7 17.0 53.2 26 25 A S E -AB 11 166A 0 140,-2.4 140,-3.1 -2,-0.7 2,-0.4 -0.827 6.8-163.6-106.2 140.7 27.4 18.7 49.9 27 26 A M E -AB 10 165A 0 -17,-3.5 -17,-2.1 -2,-0.4 2,-0.3 -0.970 18.2-129.3-131.3 135.4 24.8 20.1 47.4 28 27 A A E -A 9 0A 0 136,-2.9 284,-2.0 -2,-0.4 2,-0.3 -0.574 34.7-163.5 -76.5 133.1 24.9 21.1 43.8 29 28 A I E -AC 8 311A 1 -21,-1.6 -21,-2.5 -2,-0.3 282,-0.2 -0.841 31.2-105.9-124.5 161.4 23.4 24.6 43.2 30 29 A D E S+ 0 0 66 280,-1.7 2,-0.2 -2,-0.3 279,-0.1 0.715 80.9 109.3 -49.2 -37.6 22.1 26.8 40.4 31 30 A L E - 0 0 17 279,-0.1 2,-0.3 276,-0.1 -2,-0.2 -0.273 57.4-171.9 -49.3 112.2 25.1 29.2 40.3 32 31 A T E - 0 0 9 -2,-0.2 71,-1.6 -25,-0.1 72,-0.4 -0.732 30.5-147.1-117.0 161.7 26.7 28.2 37.0 33 32 A S E -AD 6 102A 0 -27,-1.8 -27,-1.0 -2,-0.3 2,-0.4 -0.746 22.4-148.5-109.1 160.2 29.7 28.8 34.9 34 33 A T E -AD 5 101A 38 67,-3.3 67,-1.8 -2,-0.3 2,-0.5 -0.981 13.3-174.7-139.0 123.2 29.3 28.8 31.2 35 34 A I E -AD 4 100A 1 -31,-2.9 -31,-3.6 -2,-0.4 2,-0.5 -0.985 2.4-169.8-123.9 126.9 32.0 27.6 28.8 36 35 A E E -AD 3 99A 69 63,-2.1 63,-3.0 -2,-0.5 2,-0.4 -0.966 3.8-171.9-118.1 129.0 31.6 27.8 25.1 37 36 A I E +AD 2 98A 0 -35,-1.9 -35,-0.7 -2,-0.5 2,-0.3 -0.965 9.1 167.1-123.5 136.7 34.1 26.2 22.7 38 37 A K E - D 0 97A 89 59,-2.6 59,-3.3 -2,-0.4 -2,-0.0 -0.985 37.2-109.3-150.4 135.9 34.3 26.5 18.9 39 38 A E E - D 0 96A 106 -2,-0.3 57,-0.3 57,-0.3 6,-0.1 -0.281 29.7-178.1 -61.5 148.8 36.9 25.6 16.3 40 39 A T - 0 0 33 55,-0.6 56,-0.1 4,-0.2 -1,-0.1 0.741 26.0-137.0-117.6 -43.1 38.7 28.5 14.8 41 40 A Q S S+ 0 0 127 3,-0.2 -2,-0.0 0, 0.0 53,-0.0 0.937 70.9 110.9 78.4 52.4 41.2 27.3 12.2 42 41 A E S S- 0 0 107 2,-0.3 3,-0.1 54,-0.0 52,-0.0 0.421 88.9-108.3-127.6 -13.2 44.1 29.5 13.1 43 42 A D S S+ 0 0 108 1,-0.3 17,-0.8 16,-0.1 2,-0.3 0.799 86.2 72.5 85.8 37.3 46.3 26.7 14.4 44 43 A E E S-E 59 0A 51 15,-0.2 52,-1.5 16,-0.1 2,-0.4 -0.959 77.5-104.3-163.2 173.4 46.2 27.5 18.1 45 44 A I E -Ef 58 96A 4 13,-3.0 13,-1.8 -2,-0.3 2,-0.5 -0.934 28.7-158.4-113.2 134.4 44.0 27.4 21.2 46 45 A I E -Ef 57 97A 14 50,-2.5 52,-3.0 -2,-0.4 2,-0.5 -0.951 5.8-169.0-119.8 129.5 42.3 30.5 22.5 47 46 A L E -Ef 56 98A 3 9,-2.5 9,-2.1 -2,-0.5 2,-0.5 -0.941 7.5-169.9-113.0 131.4 41.0 31.0 26.1 48 47 A N E -Ef 55 99A 32 50,-2.1 52,-3.5 -2,-0.5 2,-1.0 -0.940 15.3-159.3-132.3 118.6 38.9 34.0 26.9 49 48 A L E > -Ef 54 100A 16 5,-2.5 5,-1.8 -2,-0.5 52,-0.1 -0.795 12.4-177.3 -92.4 100.9 37.9 35.2 30.3 50 49 A N T > 5S+ 0 0 63 50,-2.1 3,-1.4 -2,-1.0 -1,-0.2 0.947 79.6 52.4 -63.4 -52.7 34.9 37.4 29.6 51 50 A D T 3 5S+ 0 0 100 49,-0.7 -1,-0.2 1,-0.3 50,-0.1 0.787 122.8 31.9 -55.3 -31.6 34.2 38.5 33.2 52 51 A L T 3 5S- 0 0 93 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.2 0.275 102.3-132.3-109.7 7.6 37.9 39.6 33.5 53 52 A N T < 5 + 0 0 141 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.835 58.0 141.7 42.0 44.0 38.2 40.6 29.9 54 53 A K E < -E 49 0A 92 -5,-1.8 -5,-2.5 19,-0.0 2,-0.3 -0.847 31.2-165.1-111.8 151.0 41.5 38.6 29.6 55 54 A S E -E 48 0A 80 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.968 6.7-169.4-138.5 152.8 42.7 36.6 26.6 56 55 A L E -E 47 0A 36 -9,-2.1 -9,-2.5 -2,-0.3 2,-0.4 -0.985 3.6-166.7-147.3 134.4 45.3 33.9 25.9 57 56 A G E +E 46 0A 38 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.967 13.1 169.7-121.4 133.0 46.7 32.3 22.7 58 57 A L E -E 45 0A 20 -13,-1.8 -13,-3.0 -2,-0.4 2,-0.1 -0.994 34.3-108.9-140.7 147.6 48.9 29.1 22.6 59 58 A N E >> -E 44 0A 77 -2,-0.3 3,-2.3 -15,-0.2 4,-1.2 -0.427 33.0-113.7 -74.9 148.3 50.1 26.9 19.8 60 59 A L T 34 S+ 0 0 25 -17,-0.8 4,-0.4 1,-0.3 -1,-0.1 0.654 115.2 54.0 -55.4 -18.0 48.7 23.3 19.6 61 60 A N T 34 S+ 0 0 118 1,-0.1 -1,-0.3 2,-0.1 -17,-0.0 0.297 100.8 56.2-103.6 10.4 52.1 21.9 20.5 62 61 A E T X> S+ 0 0 73 -3,-2.3 3,-1.6 2,-0.1 4,-1.3 0.635 87.0 85.8-105.4 -28.5 52.7 23.8 23.7 63 62 A I G >< S+ 0 0 9 -4,-1.2 3,-1.1 1,-0.3 -2,-0.1 0.865 89.7 41.5 -34.3 -70.0 49.5 22.6 25.2 64 63 A K G 34 S+ 0 0 98 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.596 119.5 46.2 -63.3 -13.0 50.7 19.3 26.7 65 64 A N G <4 S+ 0 0 117 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.524 84.0 108.0-111.1 -5.1 53.9 20.8 28.0 66 65 A I << - 0 0 24 -4,-1.3 3,-0.1 -3,-1.1 -3,-0.0 -0.315 65.8-128.5 -71.5 156.5 52.7 24.0 29.6 67 66 A N > - 0 0 79 1,-0.1 3,-1.4 -2,-0.0 4,-0.2 -0.947 13.4-141.5-107.8 121.9 52.7 24.3 33.4 68 67 A P G > S+ 0 0 4 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.851 95.0 60.6 -47.8 -51.1 49.4 25.5 34.7 69 68 A N G 3 S+ 0 0 71 1,-0.3 3,-0.2 2,-0.1 7,-0.0 0.266 91.2 70.3 -71.1 15.0 50.7 27.8 37.5 70 69 A N G < S+ 0 0 120 -3,-1.4 -1,-0.3 1,-0.1 -4,-0.0 0.437 94.4 59.1-102.7 -5.9 52.5 29.9 34.9 71 70 A F S X S- 0 0 48 -3,-2.2 3,-2.3 1,-0.2 4,-0.4 -0.061 80.1-158.2-120.4 38.3 49.1 31.2 33.6 72 71 A G G > S+ 0 0 41 1,-0.3 3,-2.4 -3,-0.2 -1,-0.2 0.169 77.6 11.2 29.2-125.2 47.3 32.9 36.5 73 72 A D G 3 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.604 128.3 57.0 -54.2 -19.2 43.6 33.2 36.1 74 73 A F G <> S+ 0 0 18 -3,-2.3 4,-2.5 1,-0.1 -1,-0.3 0.444 78.7 100.2 -91.4 -4.1 43.6 30.8 33.1 75 74 A K H <> S+ 0 0 49 -3,-2.4 4,-3.1 -4,-0.4 5,-0.2 0.830 78.1 45.9 -55.4 -45.6 45.3 27.9 35.0 76 75 A Y H > S+ 0 0 27 -4,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.923 119.0 40.0 -65.5 -47.7 42.3 25.6 35.8 77 76 A C H > S+ 0 0 4 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 117.4 51.4 -65.6 -46.0 40.7 25.7 32.4 78 77 A L H >X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 3,-0.5 0.972 112.5 44.8 -53.9 -57.6 44.0 25.5 30.8 79 78 A C H 3X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.3 -1,-0.2 0.773 108.8 57.3 -58.6 -32.2 44.9 22.5 32.9 80 79 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.897 107.1 49.4 -67.5 -37.5 41.6 20.9 32.2 81 80 A I H S+ 0 0 5 -4,-2.1 5,-2.6 1,-0.2 4,-0.7 0.971 114.1 38.2 -59.8 -60.5 43.6 15.7 25.7 86 85 A D H <5S+ 0 0 74 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.768 115.2 56.5 -66.5 -19.7 46.2 13.3 26.9 87 86 A Y H <5S+ 0 0 115 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.913 113.3 39.0 -73.6 -40.7 43.5 11.4 28.7 88 87 A L H <5S- 0 0 14 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.496 112.5-128.5 -81.9 -4.8 41.7 11.0 25.4 89 88 A N T <5 + 0 0 142 -4,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.901 58.0 149.9 57.0 42.8 45.1 10.6 23.9 90 89 A I < - 0 0 30 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.835 39.7-153.9-108.4 143.3 44.3 13.3 21.4 91 90 A E - 0 0 152 -2,-0.4 -30,-0.1 -3,-0.1 -31,-0.1 -0.964 31.7-114.1-118.7 111.9 46.8 15.6 19.7 92 91 A P + 0 0 22 0, 0.0 3,-0.1 0, 0.0 -29,-0.1 -0.211 41.8 167.2 -47.9 116.2 45.2 18.9 18.6 93 92 A K + 0 0 175 1,-0.1 2,-0.2 2,-0.1 -33,-0.1 0.814 68.3 34.2 -97.0 -46.8 45.4 19.0 14.9 94 93 A T S S- 0 0 41 1,-0.1 -1,-0.1 -51,-0.1 2,-0.1 -0.650 85.3-115.9-107.0 163.3 43.0 21.9 14.5 95 94 A G + 0 0 0 -2,-0.2 -55,-0.6 -3,-0.1 2,-0.3 -0.277 28.1 175.6 -93.3 177.9 42.4 25.0 16.7 96 95 A F E -Df 39 45A 0 -52,-1.5 -50,-2.5 -57,-0.3 2,-0.4 -0.974 21.5-124.8-171.5 166.4 39.5 26.3 18.7 97 96 A K E -Df 38 46A 51 -59,-3.3 -59,-2.6 -2,-0.3 2,-0.4 -0.947 12.6-158.2-126.7 144.7 38.4 29.0 21.1 98 97 A I E -Df 37 47A 0 -52,-3.0 -50,-2.1 -2,-0.4 2,-0.5 -0.982 4.4-157.2-123.3 132.7 36.8 28.8 24.6 99 98 A N E -Df 36 48A 25 -63,-3.0 -63,-2.1 -2,-0.4 2,-0.5 -0.953 13.2-158.9-111.7 124.6 34.8 31.6 26.1 100 99 A I E +Df 35 49A 8 -52,-3.5 -50,-2.1 -2,-0.5 -49,-0.7 -0.893 21.8 155.2-111.3 130.4 34.6 31.5 29.9 101 100 A S E +D 34 0A 24 -67,-1.8 -67,-3.3 -2,-0.5 2,-0.3 -0.927 10.4 177.9-152.7 123.9 32.0 33.2 32.1 102 101 A S E -D 33 0A 23 -2,-0.3 -69,-0.3 -69,-0.3 -71,-0.0 -0.862 23.3-161.5-123.8 158.6 31.0 32.2 35.6 103 102 A K + 0 0 140 -71,-1.6 -70,-0.1 -2,-0.3 -1,-0.1 0.528 62.4 110.2-110.5 -16.9 28.4 33.8 37.9 104 103 A I S S- 0 0 5 -72,-0.4 -2,-0.1 8,-0.1 7,-0.0 -0.406 73.7-119.2 -67.8 122.3 29.9 32.0 40.9 105 104 A P - 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