==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-MAY-11 3S82 . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE,SE . 749 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 15.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 39 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.7 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 2 0 3 5 0 0 2 2 0 0 0 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 2 2 0 2 0 0 4 2 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 . 2 2 0 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 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 5 A G 0 0 69 0, 0.0 159,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 123.5 -10.7 22.0 44.9 2 6 A R E -A 159 0A 99 157,-0.9 157,-2.9 156,-0.1 2,-0.4 -0.457 360.0-151.9 -70.0 138.0 -11.9 19.2 42.7 3 7 A L E -A 158 0A 18 155,-0.2 2,-0.3 -2,-0.2 155,-0.2 -0.835 11.4-173.1-104.1 145.5 -12.1 19.9 38.9 4 8 A F E -A 157 0A 7 153,-1.8 153,-2.7 -2,-0.4 2,-0.4 -0.980 2.2-166.9-139.4 134.3 -14.6 18.1 36.7 5 9 A T E +A 156 0A 12 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.968 9.4 171.3-121.4 133.2 -14.8 18.3 32.9 6 10 A S E -A 155 0A 5 149,-1.9 149,-2.6 -2,-0.4 2,-0.3 -0.929 13.5-152.1-131.5 161.7 -17.6 17.2 30.5 7 11 A E E -A 154 0A 58 -2,-0.3 2,-0.3 147,-0.2 147,-0.2 -0.911 9.8-170.7-132.3 160.5 -18.2 17.7 26.9 8 12 A S E -A 153 0A 0 145,-2.1 145,-2.9 -2,-0.3 2,-0.3 -0.936 10.3-151.4-139.8 162.0 -20.9 17.9 24.2 9 13 A V E -A 152 0A 0 -2,-0.3 340,-0.6 143,-0.2 143,-0.3 -0.938 20.4-112.3-132.4 155.7 -20.9 18.0 20.4 10 14 A T > - 0 0 1 141,-2.0 3,-1.8 -2,-0.3 6,-0.2 -0.338 38.3 -99.5 -77.1 169.1 -23.2 19.5 17.9 11 15 A E T 3 S+ 0 0 21 1,-0.3 9,-0.1 121,-0.1 139,-0.1 0.603 121.3 65.6 -59.9 -14.9 -25.4 17.6 15.5 12 16 A G T 3 S+ 0 0 0 137,-0.8 138,-0.3 136,-0.1 -1,-0.3 0.499 71.4 108.9 -89.0 -7.0 -22.7 18.2 12.9 13 17 A H S <> S- 0 0 31 -3,-1.8 4,-2.5 136,-0.2 3,-0.4 -0.526 80.2-122.2 -67.0 135.9 -20.0 16.1 14.7 14 18 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 218,-0.2 0.839 111.1 50.5 -56.9 -36.6 -19.6 13.0 12.6 15 19 A D H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 220,-0.2 0.904 113.1 47.8 -64.7 -38.6 -20.4 10.5 15.4 16 20 A K H > S+ 0 0 0 -3,-0.4 4,-2.6 -6,-0.2 -1,-0.2 0.826 104.2 59.6 -72.4 -31.2 -23.6 12.6 16.0 17 21 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.932 108.7 46.4 -54.4 -45.5 -24.4 12.6 12.3 18 22 A C H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.919 110.8 50.1 -65.3 -45.7 -24.5 8.8 12.6 19 23 A D H X S+ 0 0 0 -4,-2.1 4,-2.3 214,-0.2 -1,-0.2 0.932 113.1 48.3 -58.3 -43.6 -26.6 8.8 15.7 20 24 A A H X S+ 0 0 8 -4,-2.6 4,-1.7 327,-0.2 -2,-0.2 0.886 111.6 48.1 -66.7 -40.6 -29.1 11.2 14.0 21 25 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.937 111.4 51.1 -64.3 -44.4 -29.3 9.1 10.8 22 26 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.938 115.3 41.6 -59.3 -46.2 -29.8 5.9 12.8 23 27 A D H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 321,-0.5 0.717 109.6 58.5 -76.7 -22.4 -32.7 7.5 14.8 24 28 A S H X S+ 0 0 9 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.882 108.2 46.8 -69.6 -40.8 -34.1 9.2 11.7 25 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.932 112.5 50.8 -60.9 -47.2 -34.5 5.7 10.2 26 30 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.946 111.6 46.2 -53.6 -52.7 -36.0 4.5 13.4 27 31 A D H X S+ 0 0 24 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.890 109.3 55.5 -61.3 -41.2 -38.6 7.4 13.5 28 32 A A H X S+ 0 0 24 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.894 112.9 41.8 -57.7 -42.7 -39.5 6.9 9.8 29 33 A L H >X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 3,-0.9 0.921 113.7 51.1 -73.5 -43.8 -40.3 3.2 10.5 30 34 A L H 3< S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.828 100.2 64.7 -64.3 -32.2 -42.2 3.9 13.8 31 35 A A H 3< S+ 0 0 70 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.840 118.5 25.0 -57.2 -35.1 -44.3 6.6 12.1 32 36 A Q H << S+ 0 0 99 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.741 138.7 25.0-100.0 -34.4 -45.8 3.9 9.9 33 37 A D >< - 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0 0 11 43,-2.2 -2,-0.1 -2,-0.5 -27,-0.0 -0.994 58.9-145.8-160.2 154.0 -41.4 -3.9 9.9 58 62 A T S S+ 0 0 91 -2,-0.3 2,-2.0 43,-0.1 3,-0.3 0.406 81.1 99.2 -93.6 -5.6 -44.6 -3.6 7.9 59 63 A A > + 0 0 2 1,-0.2 4,-2.2 -26,-0.1 5,-0.1 -0.425 40.2 153.5 -84.2 66.1 -43.5 -0.1 6.9 60 64 A K H > + 0 0 71 -2,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.866 69.5 52.7 -66.4 -38.0 -42.2 -1.1 3.4 61 65 A E H > S+ 0 0 149 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.911 111.3 46.6 -66.0 -41.6 -42.7 2.4 1.9 62 66 A A H 4 S+ 0 0 7 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 111.9 51.9 -65.4 -39.6 -40.7 4.1 4.6 63 67 A F H >< S+ 0 0 52 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.933 108.1 51.4 -60.7 -45.0 -38.0 1.4 4.2 64 68 A A H 3< S+ 0 0 73 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.842 109.5 51.7 -58.4 -33.2 -37.9 2.1 0.5 65 69 A D T >X S+ 0 0 85 -4,-1.5 4,-2.3 1,-0.2 3,-0.5 0.341 76.6 105.8 -86.8 3.8 -37.5 5.9 1.2 66 70 A I H <> S+ 0 0 3 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.903 74.0 58.1 -55.4 -43.0 -34.5 5.4 3.7 67 71 A T H 3> S+ 0 0 48 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.920 110.7 43.0 -53.0 -44.0 -32.0 6.7 1.1 68 72 A N H <> S+ 0 0 76 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.889 109.2 57.1 -72.3 -36.3 -34.0 10.0 1.0 69 73 A T H X S+ 0 0 28 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.892 107.4 50.4 -57.3 -39.8 -34.5 10.1 4.8 70 74 A V H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.950 111.7 45.8 -63.1 -52.3 -30.6 9.9 5.1 71 75 A R H X S+ 0 0 60 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.929 112.3 51.6 -58.8 -46.6 -30.0 12.8 2.6 72 76 A E H X S+ 0 0 126 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.875 108.7 50.3 -61.4 -40.6 -32.7 14.9 4.2 73 77 A R H X S+ 0 0 69 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.925 110.8 49.4 -63.4 -44.0 -31.3 14.5 7.7 74 78 A I H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-1.1 0.904 112.1 48.0 -62.1 -41.5 -27.8 15.5 6.5 75 79 A L H <5S+ 0 0 71 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.899 109.4 53.5 -64.8 -39.9 -29.2 18.6 4.7 76 80 A D H <5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 103.5 56.2 -62.2 -37.0 -31.2 19.5 7.9 77 81 A I H <5S- 0 0 1 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.811 126.3-106.5 -62.3 -31.9 -27.9 19.3 9.9 78 82 A G T <5S+ 0 0 12 -4,-1.1 2,-1.1 -3,-0.4 -3,-0.2 0.450 75.5 136.0 119.0 7.8 -26.6 21.9 7.4 79 83 A Y < + 0 0 0 -5,-2.0 9,-2.7 1,-0.2 10,-0.2 -0.729 17.8 135.5 -87.9 99.0 -24.2 19.9 5.2 80 84 A D E +I 87 0C 86 -2,-1.1 2,-0.3 7,-0.3 7,-0.3 0.058 55.3 47.5-134.2 23.7 -25.2 21.1 1.7 81 85 A S E > > -I 86 0C 33 5,-1.6 3,-1.5 1,-0.1 5,-1.4 -0.935 67.5-129.4-166.4 140.5 -21.8 21.8 -0.0 82 86 A S G > 5S+ 0 0 95 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.808 110.2 67.5 -57.3 -30.7 -18.4 20.2 -0.7 83 87 A D G 3 5S+ 0 0 112 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.778 100.3 48.5 -59.9 -29.2 -17.0 23.6 0.5 84 88 A K G < 5S- 0 0 51 -3,-1.5 141,-1.7 2,-0.2 -1,-0.3 0.472 125.4-105.2 -87.3 -6.1 -18.4 22.6 4.0 85 89 A G T < 5S+ 0 0 8 -3,-1.4 -38,-0.4 -4,-0.3 2,-0.3 0.206 94.9 45.3 103.3 -12.0 -16.8 19.1 3.7 86 90 A F E < -I 81 0C 5 -5,-1.4 -5,-1.6 -40,-0.1 2,-0.4 -0.948 55.8-163.0-167.2 137.4 -20.1 17.3 3.1 87 91 A D E >> -I 80 0C 33 -2,-0.3 4,-1.7 -7,-0.3 3,-1.2 -0.944 7.9-161.3-133.3 109.6 -23.2 17.6 0.9 88 92 A G T 34 S+ 0 0 0 -9,-2.7 -8,-0.1 -2,-0.4 -14,-0.1 0.759 93.5 55.7 -57.5 -28.8 -26.3 15.5 1.8 89 93 A A T 34 S+ 0 0 63 -10,-0.2 -1,-0.3 1,-0.1 -9,-0.1 0.713 123.3 21.9 -76.9 -21.3 -27.7 16.0 -1.8 90 94 A S T <4 S+ 0 0 86 -3,-1.2 -2,-0.2 -19,-0.1 -1,-0.1 0.371 92.6 110.6-133.3 4.6 -24.6 14.6 -3.5 91 95 A C S < S- 0 0 10 -4,-1.7 2,-0.3 1,-0.1 -43,-0.2 -0.308 77.2 -90.1 -75.8 163.5 -22.7 12.3 -1.0 92 96 A G E -h 48 0B 32 -45,-2.9 -43,-2.2 -2,-0.1 2,-0.4 -0.563 41.7-170.7 -72.6 137.5 -22.5 8.6 -1.4 93 97 A V E +h 49 0B 20 -2,-0.3 2,-0.4 -45,-0.2 -43,-0.2 -0.963 5.8 178.4-133.7 115.0 -25.3 6.7 0.3 94 98 A N E -h 50 0B 91 -45,-2.4 -43,-2.5 -2,-0.4 2,-0.5 -0.977 11.2-159.1-119.2 131.7 -25.2 2.9 0.6 95 99 A I E +h 51 0B 68 -2,-0.4 -43,-0.2 -45,-0.2 -45,-0.0 -0.947 19.1 166.9-115.8 121.6 -27.8 0.8 2.4 96 100 A G E +h 52 0B 22 -45,-3.2 -43,-1.1 -2,-0.5 2,-0.5 -0.529 27.9 143.4-127.8 56.0 -27.0 -2.7 3.6 97 101 A I E -h 53 0B 22 -45,-0.3 2,-0.4 326,-0.1 -43,-0.2 -0.904 45.5-137.2-104.6 126.7 -30.0 -3.3 5.9 98 102 A G E -h 54 0B 24 -45,-2.6 -43,-2.2 -2,-0.5 2,-0.4 -0.674 26.8-164.1 -77.7 134.7 -31.6 -6.8 6.2 99 103 A A E +h 55 0B 58 -2,-0.4 2,-0.3 -45,-0.2 -43,-0.2 -0.978 15.1 167.0-129.2 132.8 -35.4 -6.5 6.1 100 104 A Q E -h 56 0B 119 -45,-2.0 -43,-2.2 -2,-0.4 -2,-0.0 -0.933 32.0-117.0-134.6 161.9 -38.1 -8.9 7.1 101 105 A S 0 0 96 -2,-0.3 -43,-0.1 -45,-0.2 -46,-0.0 -0.653 360.0 360.0 -86.1 153.9 -41.8 -8.9 7.8 102 106 A P 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -45,-0.0 -0.290 360.0 360.0 -71.8 360.0 -43.2 -9.8 11.2 103 ! 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 0.0 104 133 A G 0 0 96 0, 0.0 2,-0.3 0, 0.0 190,-0.2 0.000 360.0 360.0 360.0-143.8 -36.0 -11.3 29.5 105 134 A D - 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