==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JAN-96 1MXA . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.TAKUSAGAWA,S.KAMITORI,G.D.MARKHAM . 377 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 15.4 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 . 2 0.5 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 . 29 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 2 0 0 0 2 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 1 0 2 1 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 . 1 1 1 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 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 A 0 0 61 0, 0.0 169,-0.2 0, 0.0 166,-0.1 0.000 360.0 360.0 360.0 127.0 -16.3 4.5 28.9 2 2 A K + 0 0 127 166,-0.1 166,-0.2 167,-0.1 2,-0.2 -0.137 360.0 151.2 -61.9 153.3 -19.4 6.3 29.9 3 3 A H E -A 167 0A 93 164,-0.9 164,-2.8 2,-0.0 2,-0.3 -0.681 33.4-131.0-178.1 148.2 -19.7 10.0 30.1 4 4 A L E -A 166 0A 94 162,-0.2 2,-0.3 -2,-0.2 162,-0.2 -0.768 19.1-171.9-105.8 148.5 -22.5 12.5 29.7 5 5 A F E -A 165 0A 62 160,-2.5 160,-3.0 -2,-0.3 2,-0.3 -0.999 6.5-155.1-141.5 145.2 -22.4 15.7 27.6 6 6 A T E -A 164 0A 55 -2,-0.3 2,-0.3 158,-0.2 158,-0.2 -0.902 10.8-177.8-125.2 149.9 -25.0 18.5 27.3 7 7 A S E -A 163 0A 4 156,-2.1 156,-2.2 -2,-0.3 2,-0.3 -0.984 12.0-152.3-143.4 150.1 -26.0 21.1 24.7 8 8 A E E -A 162 0A 76 -2,-0.3 2,-0.3 154,-0.2 154,-0.3 -0.739 11.5-178.3-116.0 149.8 -28.7 23.9 24.9 9 9 A S E -A 161 0A 0 152,-2.5 152,-3.0 -2,-0.3 2,-0.3 -0.974 7.7-159.8-143.6 164.9 -30.6 25.6 22.1 10 10 A V E -A 160 0A 4 -2,-0.3 150,-0.2 150,-0.2 2,-0.2 -0.836 20.2-115.7-131.6 163.6 -33.2 28.4 22.0 11 11 A S > - 0 0 1 148,-1.9 3,-2.1 -2,-0.3 6,-0.2 -0.511 39.5 -80.8 -90.7 171.5 -35.8 29.3 19.4 12 12 A E T 3 S+ 0 0 13 1,-0.3 -1,-0.2 -2,-0.2 147,-0.1 -0.332 123.9 43.6 -49.2 141.5 -36.4 32.3 17.2 13 13 A G T 3 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.1 145,-0.2 0.305 76.2 120.7 85.0 -11.0 -38.1 34.6 19.6 14 14 A H S X> S- 0 0 15 -3,-2.1 4,-1.3 143,-0.2 3,-0.8 -0.760 79.8-114.2 -70.8 137.0 -35.7 33.9 22.5 15 15 A P H >> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.784 111.1 48.5 -53.8 -45.3 -34.4 37.5 23.0 16 16 A D H 3> S+ 0 0 11 1,-0.3 4,-2.4 2,-0.2 222,-0.2 0.938 113.3 50.3 -68.0 -28.0 -30.8 37.2 22.0 17 17 A K H <> S+ 0 0 2 -3,-0.8 4,-2.7 2,-0.2 -1,-0.3 0.767 103.8 57.6 -73.9 -24.4 -31.9 35.4 18.9 18 18 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 3,-0.7 0.959 110.5 45.7 -53.8 -53.9 -27.3 42.6 6.5 28 28 A D H 3X S+ 0 0 23 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.962 108.3 56.9 -55.3 -48.1 -29.3 40.8 3.9 29 29 A A H 3< S+ 0 0 19 -4,-2.3 4,-0.4 1,-0.3 -1,-0.2 0.768 112.7 40.8 -53.8 -35.6 -31.3 43.9 3.0 30 30 A I H XX S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.7 3,-2.1 0.940 111.6 55.8 -79.6 -50.1 -28.1 45.7 2.2 31 31 A L H 3< S+ 0 0 2 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.793 98.1 64.0 -53.6 -31.0 -26.5 42.8 0.5 32 32 A E T 3< S+ 0 0 147 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.786 117.0 27.9 -61.6 -31.6 -29.4 42.6 -1.9 33 33 A Q T <4 S+ 0 0 99 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.2 0.737 137.5 21.3 -98.1 -33.8 -28.5 46.0 -3.2 34 34 A D >< - 0 0 30 -4,-2.6 3,-1.6 1,-0.1 -1,-0.2 -0.824 58.7-172.9-144.9 95.0 -24.7 46.1 -2.6 35 35 A P T 3 S+ 0 0 50 0, 0.0 -4,-0.1 0, 0.0 308,-0.1 0.653 87.3 54.9 -62.3 -22.1 -23.0 42.8 -2.2 36 36 A K T 3 S+ 0 0 136 306,-0.1 -5,-0.1 2,-0.1 225,-0.0 0.362 78.3 133.0 -99.9 6.4 -19.7 44.4 -1.3 37 37 A A < - 0 0 1 -3,-1.6 2,-0.6 -7,-0.1 21,-0.2 -0.153 53.6-136.4 -47.1 140.9 -21.2 46.4 1.6 38 38 A R E +D 57 0B 72 19,-1.9 19,-2.3 224,-0.1 2,-0.4 -0.974 33.0 175.0 -98.9 117.0 -19.2 46.3 4.8 39 39 A V E +D 56 0B 2 -2,-0.6 222,-2.0 17,-0.2 2,-0.2 -0.980 26.3 169.1-126.7 143.5 -21.7 45.9 7.7 40 40 A A E +DE 55 260B 33 15,-1.5 15,-2.0 -2,-0.4 2,-0.6 -0.763 21.5 176.2-141.5 95.2 -21.3 45.4 11.5 41 41 A C E -D 54 0B 2 218,-1.8 2,-0.4 13,-0.2 13,-0.3 -0.914 8.7-169.9-111.6 102.4 -24.8 45.8 12.9 42 42 A E E -D 53 0B 95 11,-2.3 11,-2.9 -2,-0.6 2,-0.4 -0.783 7.0-162.9 -96.8 140.0 -25.3 45.2 16.6 43 43 A T E -D 52 0B 5 -2,-0.4 194,-2.0 9,-0.2 2,-0.4 -0.941 10.2-170.7-132.8 142.4 -28.8 45.0 18.1 44 44 A Y E -DF 51 236B 96 7,-2.6 7,-3.1 -2,-0.4 2,-0.3 -0.971 7.9-174.1-133.4 141.8 -30.1 45.3 21.6 45 45 A V E +DF 50 235B 0 190,-2.3 190,-3.0 -2,-0.4 2,-0.2 -0.996 11.5 156.2-152.2 137.2 -33.7 44.5 22.6 46 46 A K E > -DF 49 234B 97 3,-2.1 3,-2.9 -2,-0.3 185,-0.2 -0.837 60.3 -53.4-159.4 178.0 -35.5 44.9 25.9 47 47 A T T 3 S+ 0 0 55 186,-0.5 184,-0.1 183,-0.5 187,-0.1 0.654 130.4 12.0 -55.7 -35.1 -39.1 45.4 27.0 48 48 A G T 3 S+ 0 0 39 182,-0.1 42,-2.9 41,-0.1 2,-0.4 0.462 119.9 70.4-102.4 0.3 -40.3 48.3 24.9 49 49 A M E < -Dg 46 90B 57 -3,-2.9 -3,-2.1 40,-0.2 2,-0.4 -0.924 42.8-171.8-153.4 136.3 -37.5 48.5 22.6 50 50 A V E -Dg 45 91B 0 40,-2.3 42,-2.5 -2,-0.4 2,-0.5 -0.999 19.4-173.0-125.1 123.2 -35.2 47.5 19.8 51 51 A L E -Dg 44 92B 62 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.5 -0.992 4.3-171.3-113.4 121.2 -32.0 49.6 19.4 52 52 A V E +Dg 43 93B 0 40,-2.7 42,-1.8 -2,-0.5 2,-0.3 -0.983 14.1 170.5-118.6 121.2 -30.2 48.6 16.2 53 53 A G E +Dg 42 94B 16 -11,-2.9 -11,-2.3 -2,-0.5 2,-0.3 -0.923 6.8 131.0-140.9 146.1 -26.8 50.3 16.0 54 54 A G E -Dg 41 95B 15 40,-2.4 42,-2.2 -2,-0.3 2,-0.4 -0.990 52.4-102.5-171.7 166.3 -23.9 49.8 13.7 55 55 A E E +Dg 40 96B 134 -15,-2.0 -15,-1.5 -2,-0.3 2,-0.3 -0.997 42.9 174.9-112.3 131.8 -21.3 50.9 11.4 56 56 A I E -Dg 39 97B 15 40,-2.7 42,-2.0 -2,-0.4 2,-0.4 -0.937 18.6-166.0-127.9 146.0 -22.2 50.4 7.7 57 57 A T E +Dg 38 98B 48 -19,-2.3 -19,-1.9 -2,-0.3 2,-0.3 -0.861 41.3 116.4-137.9 113.0 -20.4 51.4 4.5 58 58 A T - 0 0 0 40,-2.1 -2,-0.1 -2,-0.4 -24,-0.0 -0.994 68.6-126.1-168.1 156.1 -22.5 51.2 1.5 59 59 A S S S+ 0 0 77 -2,-0.3 -1,-0.2 40,-0.1 -25,-0.1 0.959 79.3 105.7 -67.1 -57.1 -24.4 52.5 -1.4 60 60 A A - 0 0 3 -30,-0.2 2,-0.5 1,-0.1 -2,-0.1 0.459 57.6-151.1 -40.7 146.2 -27.6 50.9 -0.3 61 61 A W + 0 0 197 -32,-0.1 2,-0.3 -31,-0.1 -1,-0.1 -0.989 26.9 168.8-118.0 130.8 -30.6 52.6 1.2 62 62 A V - 0 0 39 -2,-0.5 2,-0.9 -29,-0.0 -32,-0.0 -0.965 35.7-122.5-143.9 146.7 -32.5 50.4 3.6 63 63 A D > - 0 0 80 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 -0.806 20.3-172.0-101.2 102.5 -35.2 51.0 6.1 64 64 A I H > S+ 0 0 22 -2,-0.9 4,-3.0 1,-0.2 -1,-0.2 0.907 83.9 49.6 -57.4 -42.2 -34.2 49.8 9.5 65 65 A E H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.944 113.0 46.4 -69.7 -42.7 -37.6 50.3 11.2 66 66 A E H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.967 115.2 46.8 -62.2 -52.9 -39.5 48.5 8.5 67 67 A I H X S+ 0 0 24 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.889 112.9 50.8 -55.6 -42.0 -36.9 45.6 8.5 68 68 A T H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.936 112.2 44.8 -62.9 -47.1 -37.0 45.6 12.3 69 69 A R H X S+ 0 0 34 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.887 111.0 53.0 -69.6 -35.6 -40.8 45.3 12.6 70 70 A N H X S+ 0 0 63 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.976 108.3 50.2 -65.2 -45.5 -41.2 42.7 9.9 71 71 A T H X S+ 0 0 4 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.866 110.8 48.2 -61.9 -37.7 -38.7 40.4 11.5 72 72 A V H X>S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 5,-1.6 0.918 110.5 52.8 -69.1 -37.4 -40.5 40.7 14.9 73 73 A R H <5S+ 0 0 97 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.894 107.2 51.0 -63.6 -39.3 -43.8 40.0 13.3 74 74 A E H <5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.897 108.0 52.3 -64.9 -39.1 -42.5 36.8 11.6 75 75 A I H <5S- 0 0 2 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.837 121.4-118.6 -63.4 -32.2 -41.2 35.6 14.9 76 76 A G T <5 + 0 0 19 -4,-1.6 2,-1.2 1,-0.2 -3,-0.2 0.418 66.3 139.1 115.6 0.1 -44.8 36.3 16.1 77 77 A Y < + 0 0 0 -5,-1.6 9,-2.4 1,-0.2 -1,-0.2 -0.632 23.8 137.2 -85.0 100.8 -44.6 38.9 18.8 78 78 A V E +H 85 0C 68 -2,-1.2 7,-0.3 7,-0.3 2,-0.3 -0.103 49.6 45.4-140.6 33.6 -47.6 40.9 17.8 79 79 A H E >>>S-H 84 0C 92 5,-1.1 3,-1.7 1,-0.1 5,-0.7 -0.865 77.5-113.6-176.4 142.0 -49.7 41.9 20.9 80 80 A S G >45S+ 0 0 89 1,-0.3 3,-1.8 -2,-0.3 -1,-0.1 0.896 110.5 61.6 -58.6 -40.5 -49.0 43.4 24.3 81 81 A D G 345S+ 0 0 68 1,-0.3 -1,-0.3 2,-0.1 4,-0.0 0.619 97.1 59.9 -62.3 -17.0 -50.1 40.2 26.2 82 82 A M G <45S- 0 0 27 -3,-1.7 146,-1.6 2,-0.1 -1,-0.3 0.803 123.9-105.5 -68.4 -30.4 -47.4 38.2 24.5 83 83 A G T <<5S+ 0 0 5 -3,-1.8 2,-0.3 -4,-0.7 -3,-0.2 0.010 93.1 35.5 128.4 -25.6 -44.8 40.6 26.0 84 84 A F E < -H 79 0C 6 -5,-0.7 -5,-1.1 147,-0.1 2,-0.5 -0.978 62.2-148.9-164.2 133.1 -43.9 42.6 22.9 85 85 A D E >> -H 78 0C 28 -2,-0.3 4,-2.7 -7,-0.3 3,-0.7 -0.960 5.5-156.0-116.1 123.1 -45.7 43.9 19.8 86 86 A A T 34 S+ 0 0 0 -9,-2.4 -8,-0.1 -2,-0.5 -1,-0.1 0.868 96.2 52.7 -60.1 -33.7 -43.8 44.3 16.5 87 87 A N T 34 S+ 0 0 78 1,-0.2 -1,-0.2 -10,-0.1 -9,-0.1 0.705 122.0 27.7 -86.5 -12.4 -46.3 47.0 15.3 88 88 A S T <4 S+ 0 0 89 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.617 89.5 110.0-119.5 -9.8 -46.0 49.1 18.4 89 89 A C S < S- 0 0 10 -4,-2.7 2,-0.4 1,-0.1 -40,-0.2 -0.063 74.0-102.9 -63.1 163.9 -42.5 48.6 19.9 90 90 A A E -g 49 0B 46 -42,-2.9 -40,-2.3 2,-0.0 2,-0.5 -0.724 30.8-163.4 -88.1 135.1 -39.9 51.4 19.7 91 91 A V E +g 50 0B 21 -2,-0.4 2,-0.4 -42,-0.2 -40,-0.2 -0.990 11.0 178.6-115.8 123.3 -37.2 51.1 17.1 92 92 A L E -g 51 0B 87 -42,-2.5 -40,-2.7 -2,-0.5 2,-0.4 -0.970 7.6-164.5-113.3 141.0 -34.2 53.3 17.6 93 93 A S E +g 52 0B 74 -2,-0.4 -40,-0.2 -42,-0.2 2,-0.1 -0.969 22.0 175.5-126.3 151.6 -31.3 53.2 15.2 94 94 A A E +g 53 0B 65 -42,-1.8 -40,-2.4 -2,-0.4 2,-0.6 -0.640 24.1 154.6-142.8 73.9 -27.7 54.5 15.5 95 95 A I E -g 54 0B 42 -42,-0.3 2,-0.5 -2,-0.1 -40,-0.2 -0.946 34.5-146.6-105.2 119.3 -26.1 53.3 12.3 96 96 A G E -g 55 0B 28 -42,-2.2 -40,-2.7 -2,-0.6 2,-0.5 -0.745 19.9-151.1 -83.3 127.0 -23.1 55.5 11.2 97 97 A K E -g 56 0B 79 -2,-0.5 2,-0.4 -42,-0.2 -40,-0.2 -0.908 14.7-172.1-105.8 130.1 -23.1 55.3 7.5 98 98 A Q E -g 57 0B 97 -42,-2.0 -40,-2.1 -2,-0.5 -43,-0.0 -0.938 17.7-141.8-110.6 140.7 -19.9 55.7 5.5 99 99 A S - 0 0 77 -2,-0.4 -40,-0.1 -42,-0.2 -42,-0.0 -0.901 42.0 -87.6-101.3 139.2 -20.3 55.9 1.7 100 100 A P 0 0 91 0, 0.0 -1,-0.0 0, 0.0 -63,-0.0 -0.248 360.0 360.0 -61.0 130.8 -17.5 54.0 -0.1 101 101 A D 0 0 178 -3,-0.0 -3,-0.0 0, 0.0 0, 0.0 -0.837 360.0 360.0 -97.3 360.0 -14.3 55.9 -0.8 102 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 103 108 A R 0 0 186 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 175.9 -2.8 45.4 -3.9 104 109 A A + 0 0 107 1,-0.1 3,-0.1 4,-0.1 5,-0.0 0.878 360.0 42.3 -66.5 -45.1 -2.4 43.8 -7.3 105 110 A D S > S- 0 0 65 1,-0.2 3,-2.1 2,-0.0 4,-0.2 -0.887 72.2-152.5-100.2 114.0 -4.3 40.6 -6.7 106 111 A P G > S+ 0 0 71 0, 0.0 3,-2.1 0, 0.0 227,-0.2 0.856 94.5 67.6 -51.7 -33.8 -7.4 41.2 -4.6 107 112 A L G 3 S+ 0 0 41 1,-0.3 227,-0.4 226,-0.1 226,-0.3 0.707 94.5 59.1 -61.1 -18.6 -7.1 37.6 -3.3 108 113 A E G < S+ 0 0 91 -3,-2.1 -1,-0.3 225,-0.1 193,-0.1 0.427 75.1 127.7 -89.8 3.5 -4.0 38.8 -1.5 109 114 A Q < - 0 0 66 -3,-2.1 224,-0.6 -4,-0.2 3,-0.1 -0.358 61.4-110.1 -61.7 143.0 -5.8 41.5 0.6 110 115 A G - 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