==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-SEP-99 1QM4 . COMPND 2 MOLECULE: METHIONINE ADENOSYLTRANSFERASE, ALPHA FORM; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR B.GONZALEZ,M.A.PAJARES,J.A.HERMOSO,J.SANZ-APARICIO . 737 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 56 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 2 0 0 2 2 0 2 0 2 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 2 0 0 2 0 0 6 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 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 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 17 A G 0 0 63 0, 0.0 162,-0.1 0, 0.0 164,-0.1 0.000 360.0 360.0 360.0 37.6 -5.0 43.7 19.9 2 18 A A + 0 0 76 162,-0.2 2,-0.3 1,-0.1 161,-0.3 0.515 360.0 145.3 -17.6 138.5 -6.1 43.0 23.5 3 19 A F E -A 162 0A 22 159,-0.9 159,-3.1 672,-0.1 2,-0.3 -0.919 36.4-124.0-166.7 166.3 -4.4 40.6 25.8 4 20 A M E -A 161 0A 8 -2,-0.3 2,-0.3 157,-0.2 157,-0.2 -0.898 20.1-167.3-124.2 157.3 -3.8 40.5 29.6 5 21 A F E -A 160 0A 8 155,-2.0 155,-2.3 -2,-0.3 2,-0.3 -0.998 5.1-162.1-147.0 146.1 -0.7 40.3 31.6 6 22 A T E +A 159 0A 8 -2,-0.3 2,-0.3 153,-0.2 153,-0.2 -0.953 9.8 176.3-127.9 143.7 0.3 39.6 35.2 7 23 A S E -A 158 0A 6 151,-1.5 151,-2.4 -2,-0.3 2,-0.3 -0.941 9.5-156.7-140.5 161.9 3.5 40.3 37.1 8 24 A E E -A 157 0A 40 -2,-0.3 2,-0.3 149,-0.2 149,-0.2 -0.895 8.7-177.1-138.8 165.3 4.6 39.9 40.7 9 25 A S E -A 156 0A 0 147,-1.8 147,-2.5 -2,-0.3 2,-0.3 -0.947 16.5-137.9-155.0 160.1 7.2 41.2 43.1 10 26 A V E -A 155 0A 1 -2,-0.3 341,-0.5 145,-0.2 145,-0.2 -0.913 18.8-112.3-128.1 153.8 8.1 40.5 46.7 11 27 A G > - 0 0 2 143,-2.3 3,-1.8 -2,-0.3 6,-0.2 -0.279 39.7 -92.4 -77.4 172.6 9.0 42.6 49.7 12 28 A E T 3 S+ 0 0 13 1,-0.3 141,-0.2 123,-0.1 9,-0.1 0.560 122.5 51.0 -59.0 -15.8 12.3 42.9 51.6 13 29 A G T 3 S+ 0 0 0 139,-1.5 140,-0.3 138,-0.1 -1,-0.3 0.378 71.6 118.2-105.2 -1.3 11.4 40.2 54.0 14 30 A H S <> S- 0 0 22 -3,-1.8 4,-1.9 138,-0.3 3,-0.3 -0.574 76.8-120.4 -62.8 130.7 10.3 37.5 51.6 15 31 A P H > S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 219,-0.2 0.815 109.8 49.7 -42.6 -46.0 12.9 34.7 52.5 16 32 A D H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 221,-0.2 0.910 113.6 46.1 -64.9 -43.9 14.4 34.5 49.0 17 33 A K H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.735 105.9 60.0 -70.7 -25.0 14.8 38.2 48.8 18 34 A I H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.940 109.7 44.5 -64.1 -41.3 16.2 38.2 52.4 19 35 A C H X S+ 0 0 0 -4,-1.8 4,-1.9 216,-0.2 -2,-0.2 0.814 109.7 53.2 -68.4 -37.9 18.9 35.9 50.9 20 36 A D H X S+ 0 0 0 -4,-1.8 4,-1.3 215,-0.3 -1,-0.2 0.865 112.6 46.6 -66.4 -37.3 19.5 38.0 47.8 21 37 A Q H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.948 110.3 49.1 -71.8 -49.9 20.0 41.0 50.0 22 38 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.893 111.7 52.2 -55.8 -41.6 22.4 39.4 52.5 23 39 A S H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.850 113.1 43.0 -62.5 -41.1 24.5 38.1 49.5 24 40 A D H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 322,-0.5 0.728 108.8 57.5 -78.2 -21.6 24.7 41.5 48.0 25 41 A A H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.889 106.8 50.2 -75.0 -34.0 25.4 43.2 51.3 26 42 A V H X S+ 0 0 0 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.856 110.7 49.8 -68.8 -34.3 28.4 40.8 51.6 27 43 A L H >X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 3,-0.7 0.909 111.8 47.8 -67.7 -43.8 29.4 41.9 48.0 28 44 A D H 3X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.970 105.8 58.3 -59.2 -53.7 29.1 45.6 49.0 29 45 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.691 111.6 42.5 -49.0 -26.5 31.1 45.0 52.2 30 46 A H H XX S+ 0 0 0 -3,-0.7 4,-1.7 -4,-0.6 3,-1.6 0.867 108.5 55.4 -89.7 -41.4 34.0 43.8 50.0 31 47 A L H 3< S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.880 99.4 62.4 -58.8 -40.1 33.9 46.3 47.2 32 48 A K T 3< S+ 0 0 153 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.716 118.0 28.2 -56.7 -24.4 34.2 49.2 49.7 33 49 A Q T <4 S+ 0 0 111 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.500 139.4 17.0-115.2 -11.8 37.6 47.9 50.8 34 50 A D >< - 0 0 27 -4,-1.7 3,-2.8 -3,-0.1 -1,-0.2 -0.533 58.7-166.6-164.5 93.0 38.8 46.2 47.6 35 51 A P T 3 S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.407 94.3 54.6 -62.1 -4.1 36.9 47.1 44.3 36 52 A N T 3 S+ 0 0 79 -6,-0.2 -5,-0.1 -5,-0.1 305,-0.0 0.223 76.2 136.4-112.6 8.0 38.6 44.0 42.8 37 53 A A < - 0 0 0 -3,-2.8 2,-0.7 -7,-0.2 21,-0.2 -0.264 53.7-134.4 -56.2 136.4 37.4 41.6 45.4 38 54 A K E -D 57 0B 81 19,-3.2 19,-2.0 222,-0.1 2,-0.5 -0.917 28.9-172.8-100.1 109.0 36.2 38.5 43.7 39 55 A V E +D 56 0B 0 -2,-0.7 221,-1.4 17,-0.2 2,-0.3 -0.906 23.6 157.7-111.1 129.5 32.8 37.5 45.2 40 56 A A E +DE 55 259B 39 15,-0.7 15,-2.1 -2,-0.5 2,-0.3 -0.734 30.2 140.2-145.1 85.8 30.8 34.4 44.7 41 57 A C E -D 54 0B 8 217,-2.2 2,-0.3 -2,-0.3 13,-0.2 -0.923 28.1-169.2-134.4 160.3 28.5 33.8 47.6 42 58 A E E -D 53 0B 24 11,-1.7 11,-2.8 -2,-0.3 2,-0.3 -0.959 11.4-145.7-140.7 156.6 24.9 32.7 48.4 43 59 A T E -D 52 0B 0 -2,-0.3 193,-1.0 9,-0.2 2,-0.4 -0.892 6.9-166.9-126.0 149.9 22.8 32.7 51.5 44 60 A V E -DF 51 235B 14 7,-1.7 7,-3.2 -2,-0.3 2,-0.3 -0.984 13.0-172.1-133.1 140.8 20.1 30.2 52.7 45 61 A C E +DF 50 234B 1 189,-2.6 189,-3.0 -2,-0.4 5,-0.2 -0.977 19.3 169.9-140.9 153.1 17.7 31.0 55.5 46 62 A K - 0 0 39 3,-2.7 184,-0.2 -2,-0.3 185,-0.1 -0.690 69.7 -44.3-161.6 99.7 15.1 29.2 57.5 47 63 A T S S- 0 0 71 182,-1.0 37,-0.1 1,-0.2 183,-0.1 0.873 126.9 -18.5 38.6 85.4 13.5 30.9 60.6 48 64 A G S S+ 0 0 19 35,-0.5 42,-1.9 181,-0.3 2,-0.3 0.890 117.3 105.8 62.1 32.7 16.2 32.5 62.6 49 65 A M E + g 0 90B 75 40,-0.2 -3,-2.7 2,-0.0 2,-0.4 -0.885 44.7 177.6-145.4 113.1 18.8 30.4 60.8 50 66 A V E -Dg 45 91B 0 40,-3.6 42,-2.6 -2,-0.3 2,-0.5 -0.994 9.0-165.1-123.9 125.1 20.9 32.1 58.2 51 67 A L E -Dg 44 92B 30 -7,-3.2 -7,-1.7 -2,-0.4 2,-0.6 -0.959 3.2-161.0-115.0 117.6 23.7 30.2 56.3 52 68 A L E +Dg 43 93B 0 40,-1.9 42,-2.9 -2,-0.5 2,-0.3 -0.883 18.4 174.1-100.4 121.0 26.3 32.1 54.3 53 69 A C E +D 42 0B 0 -11,-2.8 -11,-1.7 -2,-0.6 42,-0.2 -0.790 17.2 88.6-118.3 167.8 28.2 30.0 51.7 54 70 A G E -D 41 0B 0 40,-0.5 42,-2.7 -2,-0.3 2,-0.5 -0.635 60.6 -93.3 131.8 166.2 30.7 30.9 49.1 55 71 A E E +Dh 40 96B 78 -15,-2.1 -15,-0.7 -2,-0.2 2,-0.4 -0.987 38.4 174.9-120.0 113.8 34.1 31.4 47.7 56 72 A I E -Dh 39 97B 0 40,-2.3 42,-1.2 -2,-0.5 2,-0.8 -0.986 17.8-161.1-131.2 120.4 35.4 35.0 47.8 57 73 A T E +Dh 38 98B 39 -19,-2.0 -19,-3.2 -2,-0.4 2,-0.3 -0.885 42.4 129.5 -94.0 106.0 38.9 36.0 46.9 58 74 A S - 0 0 2 -2,-0.8 2,-0.1 40,-0.7 -2,-0.1 -0.913 56.7-134.7-152.5 173.2 39.5 39.4 48.4 59 75 A M + 0 0 125 -2,-0.3 2,-0.3 -29,-0.1 40,-0.1 -0.530 67.1 100.5-136.8 65.2 41.7 41.5 50.6 60 76 A A S S- 0 0 8 -2,-0.1 2,-0.7 -26,-0.1 -2,-0.1 -0.969 70.3-120.3-143.1 148.2 39.4 43.3 53.0 61 77 A M - 0 0 175 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.845 39.2-178.1 -97.6 115.3 38.7 42.5 56.6 62 78 A I - 0 0 28 -2,-0.7 2,-1.0 4,-0.0 3,-0.1 -0.937 30.4-147.3-122.1 138.1 35.0 41.8 57.0 63 79 A D > - 0 0 64 -2,-0.4 4,-2.4 1,-0.2 3,-0.5 -0.804 18.7-176.2 -99.1 90.1 32.8 40.9 60.0 64 80 A Y H > S+ 0 0 25 -2,-1.0 4,-2.0 1,-0.3 5,-0.2 0.754 82.7 58.9 -58.3 -32.4 30.2 38.6 58.3 65 81 A Q H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.936 110.2 45.1 -61.1 -44.7 28.3 38.3 61.5 66 82 A R H > S+ 0 0 148 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.924 113.9 46.2 -66.8 -44.9 28.0 42.1 61.3 67 83 A V H X S+ 0 0 20 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.779 114.7 48.1 -75.0 -20.8 27.1 42.3 57.7 68 84 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.944 116.2 41.3 -78.8 -48.0 24.5 39.6 58.0 69 85 A R H X S+ 0 0 54 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.799 112.0 54.9 -67.2 -36.7 22.8 40.9 61.1 70 86 A D H X S+ 0 0 82 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.895 107.9 51.3 -62.9 -39.3 22.9 44.5 59.9 71 87 A T H X S+ 0 0 6 -4,-0.8 4,-1.7 -5,-0.2 -2,-0.2 0.838 110.1 47.4 -67.1 -35.4 21.1 43.4 56.8 72 88 A I H X>S+ 0 0 1 -4,-1.4 5,-2.5 2,-0.2 4,-0.9 0.843 113.0 49.9 -72.4 -36.2 18.4 41.6 58.7 73 89 A K H ><5S+ 0 0 113 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.928 108.9 51.6 -67.4 -44.5 17.9 44.6 61.0 74 90 A H H 3<5S+ 0 0 97 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.885 106.1 54.5 -59.1 -42.6 17.7 46.9 57.9 75 91 A I H 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.750 126.6-104.0 -62.0 -28.0 15.0 44.7 56.5 76 92 A G T <<5S+ 0 0 13 -4,-0.9 2,-1.0 -3,-0.8 3,-0.3 0.645 75.1 135.7 114.7 16.2 13.1 45.2 59.7 77 93 A Y < + 0 0 0 -5,-2.5 9,-2.3 1,-0.2 -1,-0.2 -0.802 22.7 123.1 -99.9 96.5 13.5 42.0 61.8 78 94 A D + 0 0 55 -2,-1.0 2,-0.3 7,-0.3 -1,-0.2 0.531 58.3 64.0-124.8 -21.7 14.3 43.2 65.3 79 95 A D S >S- 0 0 93 5,-0.3 5,-0.8 -3,-0.3 3,-0.4 -0.752 78.6-121.3-106.6 169.4 11.6 41.5 67.3 80 96 A S T >>5S+ 0 0 93 -2,-0.3 3,-2.1 1,-0.2 4,-0.5 0.971 101.7 52.4 -73.5 -64.9 10.9 37.9 68.0 81 97 A A T 345S+ 0 0 49 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.557 91.7 78.7 -50.7 -17.9 7.3 37.3 66.8 82 98 A K T 345S- 0 0 26 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.1 0.581 115.9-104.8 -71.8 -8.9 8.1 38.8 63.3 83 99 A G T <45S+ 0 0 15 -3,-2.1 -35,-0.5 145,-0.2 2,-0.3 0.437 95.2 47.5 98.3 5.4 9.8 35.5 62.4 84 100 A F << - 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