==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUL-06 2DTJ . COMPND 2 MOLECULE: ASPARTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR A.YOSHIDA,T.TOMITA,S.FUSHINOBU,T.KUZUYAMA,M.NISHIYAMA . 329 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 30.4 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 . 2 0.6 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 0 2 3 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 4 1 1 4 0 4 1 1 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 0 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 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 4 A A 0 0 25 0, 0.0 163,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.8 19.0 -10.6 9.1 2 5 A V E -AB 100 163A 51 98,-2.3 98,-2.5 161,-0.3 2,-0.4 -0.986 360.0-151.2-135.3 119.7 18.9 -7.6 6.9 3 6 A L E -AB 99 162A 2 159,-2.5 159,-2.6 -2,-0.4 96,-0.3 -0.786 13.8-179.3 -98.6 137.6 17.5 -4.3 8.2 4 7 A T E - 0 0 57 94,-2.6 2,-0.3 -2,-0.4 95,-0.2 0.618 53.1 -31.6-111.1 -16.9 15.9 -1.7 5.9 5 8 A G E -A 98 0A 17 93,-1.3 93,-2.6 154,-0.1 2,-0.4 -0.968 41.6-110.4 175.8 170.7 14.7 1.2 7.9 6 9 A V E -A 97 0A 26 -2,-0.3 2,-0.4 91,-0.2 91,-0.2 -0.993 35.7-163.0-121.2 119.4 13.3 2.9 11.0 7 10 A A E -A 96 0A 37 89,-2.5 89,-2.5 -2,-0.4 2,-0.3 -0.912 4.3-167.7-110.1 139.8 9.8 4.2 10.5 8 11 A T E -A 95 0A 79 -2,-0.4 2,-0.3 87,-0.2 87,-0.2 -0.896 6.2-175.1-125.7 149.9 8.1 6.7 12.7 9 12 A D E +A 94 0A 41 85,-1.9 85,-2.3 -2,-0.3 3,-0.2 -0.906 16.7 166.4-146.9 122.3 4.5 7.8 13.0 10 13 A K + 0 0 149 -2,-0.3 -1,-0.1 83,-0.2 82,-0.0 0.114 63.7 87.5-119.4 23.2 3.1 10.6 15.2 11 14 A S S S+ 0 0 71 83,-0.1 53,-2.6 2,-0.0 54,-0.3 0.281 72.6 86.9-104.2 10.7 -0.3 10.8 13.5 12 15 A E E -I 63 0B 16 80,-0.4 80,-0.5 51,-0.2 2,-0.3 -0.716 54.0-155.2-115.0 161.8 -2.2 8.2 15.5 13 16 A A E -I 62 0B 0 49,-2.6 49,-1.6 -2,-0.3 2,-0.4 -0.835 19.2-137.5-118.1 161.0 -4.2 7.9 18.7 14 17 A K E -IJ 61 89B 22 75,-2.3 75,-2.0 -2,-0.3 2,-0.4 -0.962 14.6-167.3-122.5 145.4 -4.5 4.7 20.7 15 18 A V E -IJ 60 88B 0 45,-2.6 45,-2.3 -2,-0.4 2,-0.4 -0.988 3.7-161.0-129.4 135.1 -7.7 3.5 22.2 16 19 A T E -IJ 59 87B 3 71,-2.2 71,-2.7 -2,-0.4 2,-0.6 -0.979 10.5-154.6-127.3 124.9 -8.0 0.6 24.7 17 20 A V E -IJ 58 86B 0 41,-3.1 41,-2.2 -2,-0.4 2,-0.4 -0.859 25.0-156.2 -90.1 122.2 -11.1 -1.4 25.6 18 21 A L E +IJ 57 85B 11 67,-2.8 66,-1.3 -2,-0.6 67,-1.3 -0.826 61.6 11.9-109.6 131.9 -10.5 -2.7 29.1 19 22 A G E S+ 0 0 7 37,-0.5 2,-0.2 -2,-0.4 38,-0.2 0.819 72.5 169.3 83.7 32.2 -12.0 -5.7 30.7 20 23 A I E -I 56 0B 0 36,-2.1 36,-2.5 -3,-0.4 2,-0.2 -0.551 41.3-106.4 -80.8 140.3 -13.6 -7.4 27.7 21 24 A S E -I 55 0B 33 60,-0.4 2,-2.0 34,-0.2 34,-0.2 -0.446 24.4-129.1 -66.4 130.8 -15.0 -10.9 28.3 22 25 A D + 0 0 35 32,-2.8 -1,-0.1 -2,-0.2 33,-0.1 -0.436 69.2 106.7 -83.6 76.5 -12.8 -13.6 26.7 23 26 A K S > S- 0 0 114 -2,-2.0 3,-1.5 265,-0.0 4,-0.3 -0.951 79.2 -71.0-146.2 156.3 -15.5 -15.5 24.8 24 27 A P T 3 S+ 0 0 37 0, 0.0 265,-0.1 0, 0.0 260,-0.1 -0.146 111.5 23.7 -53.3 138.2 -16.5 -15.7 21.1 25 28 A G T 3> S+ 0 0 6 263,-0.3 4,-1.0 255,-0.3 -3,-0.1 0.224 87.7 101.2 94.1 -9.4 -18.1 -12.7 19.5 26 29 A E H <> S+ 0 0 10 -3,-1.5 4,-1.5 305,-0.2 3,-0.4 0.911 82.3 48.4 -79.8 -40.3 -16.8 -10.0 21.8 27 30 A A H > S+ 0 0 0 304,-3.0 4,-2.6 -4,-0.3 5,-0.2 0.848 107.0 60.9 -63.4 -35.1 -14.0 -8.6 19.5 28 31 A A H > S+ 0 0 0 303,-0.6 4,-2.5 252,-0.3 5,-0.3 0.883 100.0 54.0 -59.6 -37.0 -16.6 -8.6 16.7 29 32 A K H X S+ 0 0 102 -4,-1.0 4,-1.9 -3,-0.4 -2,-0.2 0.944 111.4 45.8 -64.0 -41.1 -18.8 -6.1 18.7 30 33 A V H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.959 118.0 40.4 -61.5 -51.7 -15.8 -3.8 19.0 31 34 A F H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 246,-0.3 0.800 111.1 54.1 -77.4 -28.6 -14.7 -4.0 15.4 32 35 A R H X S+ 0 0 64 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.905 109.0 52.3 -67.1 -41.8 -18.1 -3.9 13.8 33 36 A A H X S+ 0 0 25 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.928 112.4 44.2 -59.5 -41.4 -18.8 -0.7 15.7 34 37 A L H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 -1,-0.2 0.888 113.1 50.9 -70.1 -38.0 -15.6 0.9 14.4 35 38 A A H ><5S+ 0 0 11 -4,-2.3 3,-1.8 238,-0.2 239,-0.2 0.928 109.5 49.9 -65.7 -41.0 -16.2 -0.3 10.9 36 39 A D H 3<5S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.786 110.4 52.1 -67.2 -25.6 -19.8 1.1 10.8 37 40 A A T 3<5S- 0 0 24 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.408 112.4-125.2 -87.0 -0.2 -18.3 4.3 12.1 38 41 A E T < 5 + 0 0 154 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.869 52.7 157.7 58.3 43.1 -15.8 4.3 9.3 39 42 A I < - 0 0 0 -5,-2.2 2,-0.2 30,-0.0 -1,-0.2 -0.872 40.7-128.8-103.4 118.5 -12.8 4.6 11.6 40 43 A N - 0 0 59 -2,-0.6 2,-0.5 232,-0.1 231,-0.2 -0.517 19.0-149.3 -69.0 134.2 -9.6 3.4 10.0 41 44 A I + 0 0 9 229,-0.8 21,-0.2 228,-0.3 231,-0.2 -0.912 17.8 178.7-108.9 125.7 -7.8 0.9 12.2 42 45 A D - 0 0 23 19,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.884 66.7 -1.1 -94.9 -45.3 -4.0 0.8 11.9 43 46 A M E -K 61 0B 8 18,-0.6 18,-1.8 227,-0.1 2,-0.4 -0.979 58.3-159.2-141.9 150.3 -2.9 -1.8 14.4 44 47 A V E -K 60 0B 1 -2,-0.3 251,-0.7 16,-0.2 2,-0.4 -0.999 9.6-177.3-130.3 137.1 -4.8 -4.1 16.8 45 48 A L E +KL 59 294B 1 14,-3.0 14,-2.9 -2,-0.4 2,-0.4 -0.995 8.8 166.3-138.3 124.2 -3.2 -5.8 19.9 46 49 A Q E -KL 58 293B 0 247,-2.1 247,-2.1 -2,-0.4 12,-0.2 -0.959 15.2-164.8-133.0 123.7 -5.0 -8.2 22.3 47 50 A N - 0 0 7 10,-0.5 10,-0.3 -2,-0.4 166,-0.1 -0.426 41.1 -62.3 -98.4-178.9 -2.9 -10.3 24.8 48 51 A V - 0 0 26 -2,-0.1 -1,-0.2 1,-0.1 244,-0.1 -0.280 54.6-109.8 -64.3 147.6 -4.1 -13.2 26.7 49 52 A S - 0 0 29 242,-0.2 2,-0.3 1,-0.1 7,-0.2 -0.238 33.5-101.0 -73.8 158.4 -6.9 -13.0 29.3 50 53 A S > - 0 0 47 5,-2.3 4,-2.4 1,-0.1 5,-0.3 -0.610 21.4-142.1 -78.3 134.1 -6.4 -13.4 32.9 51 54 A V T 4 S+ 0 0 137 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.892 99.5 51.5 -64.0 -36.2 -7.3 -16.8 34.3 52 55 A E T 4 S+ 0 0 171 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.896 123.0 26.6 -69.9 -36.6 -8.7 -15.3 37.5 53 56 A D T 4 S- 0 0 83 2,-0.2 -2,-0.2 -32,-0.0 -1,-0.2 0.644 88.0-136.2-104.7 -17.0 -11.0 -12.8 35.8 54 57 A G < + 0 0 37 -4,-2.4 -32,-2.8 1,-0.2 2,-0.3 0.700 68.9 109.2 71.7 11.6 -11.8 -14.3 32.3 55 58 A T E +I 21 0B 42 -5,-0.3 -5,-2.3 -34,-0.2 -1,-0.2 -0.865 41.8 179.6-121.6 160.5 -11.2 -10.8 30.8 56 59 A T E -I 20 0B 10 -36,-2.5 -36,-2.1 -2,-0.3 -37,-0.5 -0.758 24.2-114.4-140.7-173.3 -8.7 -9.2 28.6 57 60 A D E -I 18 0B 40 -10,-0.3 -10,-0.5 -2,-0.2 2,-0.4 -0.933 15.1-153.0-126.1 153.4 -8.0 -5.8 26.9 58 61 A I E -IK 17 46B 0 -41,-2.2 -41,-3.1 -2,-0.3 2,-0.4 -0.991 11.5-171.5-126.7 126.3 -7.9 -4.8 23.2 59 62 A T E +IK 16 45B 2 -14,-2.9 -14,-3.0 -2,-0.4 2,-0.3 -0.888 8.1 171.7-113.7 141.4 -5.9 -1.8 22.0 60 63 A F E -IK 15 44B 0 -45,-2.3 -45,-2.6 -2,-0.4 2,-0.3 -0.966 22.4-136.6-138.8 161.3 -6.0 -0.4 18.5 61 64 A T E +IK 14 43B 0 -18,-1.8 -19,-2.8 -2,-0.3 -18,-0.6 -0.839 27.1 164.5-114.9 155.8 -4.5 2.7 16.8 62 65 A C E -I 13 0B 0 -49,-1.6 -49,-2.6 -2,-0.3 -21,-0.1 -0.954 51.4 -55.4-156.3 170.4 -6.4 5.0 14.4 63 66 A P E >> -I 12 0B 43 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.270 53.7-122.5 -55.7 143.2 -5.9 8.4 13.0 64 67 A R H >> S+ 0 0 61 -53,-2.6 3,-1.1 1,-0.3 4,-0.6 0.875 109.0 59.6 -59.8 -35.7 -5.6 10.9 15.8 65 68 A S H 34 S+ 0 0 108 -54,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.649 109.6 44.4 -66.6 -15.5 -8.5 13.0 14.7 66 69 A D H <> S+ 0 0 36 -3,-2.0 4,-2.5 2,-0.1 -1,-0.3 0.420 89.0 92.8-106.6 -1.6 -10.9 10.0 15.1 67 70 A G H S+ 0 0 110 -4,-0.2 4,-2.9 2,-0.2 5,-0.2 0.911 109.5 52.8 -61.7 -38.6 -14.8 9.5 18.7 70 73 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.943 110.5 47.9 -64.9 -44.6 -13.7 5.9 18.5 71 74 A M H X S+ 0 0 13 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.942 113.7 46.6 -60.5 -41.4 -13.4 5.8 22.2 72 75 A E H X S+ 0 0 73 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.898 109.0 53.1 -73.7 -33.9 -16.8 7.3 22.7 73 76 A I H >< S+ 0 0 25 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.918 111.3 49.0 -65.2 -32.9 -18.6 5.0 20.1 74 77 A L H >< S+ 0 0 0 -4,-2.0 3,-2.0 -5,-0.2 4,-0.3 0.840 99.6 64.1 -75.8 -27.2 -17.1 2.1 22.0 75 78 A K H >< S+ 0 0 68 -4,-1.9 3,-1.0 1,-0.3 4,-0.5 0.780 89.6 69.3 -64.1 -21.1 -18.3 3.5 25.4 76 79 A K T << S+ 0 0 164 -4,-1.0 -1,-0.3 -3,-0.6 4,-0.2 0.698 105.4 41.7 -65.3 -17.7 -21.9 3.0 24.0 77 80 A L T <> S+ 0 0 32 -3,-2.0 4,-1.7 -4,-0.2 -1,-0.2 0.345 87.4 97.7-107.5 1.0 -21.1 -0.8 24.3 78 81 A Q T <4>S+ 0 0 38 -3,-1.0 5,-2.2 -4,-0.3 4,-0.5 0.914 82.9 45.8 -62.7 -44.8 -19.4 -0.8 27.6 79 82 A V T >45S+ 0 0 130 -4,-0.5 3,-1.4 1,-0.2 -1,-0.2 0.951 109.3 52.8 -66.5 -46.7 -22.3 -1.8 29.8 80 83 A Q T 345S+ 0 0 162 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.862 117.3 39.5 -55.8 -39.7 -23.6 -4.6 27.7 81 84 A G T 3<5S- 0 0 7 -4,-1.7 -60,-0.4 2,-0.0 -1,-0.3 0.469 106.2-128.0 -88.8 2.0 -20.1 -6.2 27.7 82 85 A N T < 5 + 0 0 135 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.2 0.880 45.6 173.8 50.4 42.4 -19.5 -5.3 31.3 83 86 A W < - 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