==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-AUG-06 2I62 . COMPND 2 MOLECULE: NICOTINAMIDE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.MIN,H.WU,H.ZENG,P.LOPPNAU,J.WEIGELT,M.SUNDSTROM, . 1039 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 730 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 9.2 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 70 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 4 0 0 4 0 4 7 9 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 4 8 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 . 4 0 0 4 0 0 8 0 0 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 4 0 0 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 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 6 A F 0 0 216 0, 0.0 2,-0.5 0, 0.0 206,-0.0 0.000 360.0 360.0 360.0 -58.0 15.4 18.3 25.8 2 7 A T - 0 0 28 162,-0.1 5,-0.1 1,-0.1 205,-0.0 -0.447 360.0-133.5 -60.7 110.4 16.7 20.7 23.0 3 8 A S >> - 0 0 64 -2,-0.5 3,-1.5 1,-0.1 4,-0.8 -0.284 15.3-116.9 -65.8 150.7 13.7 22.9 22.1 4 9 A K H 3> S+ 0 0 72 1,-0.3 4,-1.0 2,-0.2 3,-0.4 0.804 115.7 62.0 -60.8 -27.3 12.9 23.4 18.4 5 10 A D H 3> S+ 0 0 99 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.783 93.0 63.2 -67.9 -26.9 13.6 27.1 18.8 6 11 A T H <> S+ 0 0 41 -3,-1.5 4,-2.9 1,-0.2 5,-0.4 0.814 97.2 58.4 -67.1 -32.5 17.2 26.2 19.8 7 12 A Y H X S+ 0 0 2 -4,-0.8 4,-2.3 -3,-0.4 -1,-0.2 0.952 100.2 57.1 -56.4 -47.4 17.6 24.9 16.2 8 13 A L H < S+ 0 0 57 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.841 122.3 23.5 -56.5 -39.4 16.7 28.3 14.8 9 14 A S H < S+ 0 0 90 -4,-1.2 -1,-0.2 1,-0.0 -2,-0.2 0.770 132.6 34.9 -96.7 -28.7 19.5 30.1 16.7 10 15 A H H < S+ 0 0 87 -4,-2.9 2,-0.6 -5,-0.2 -3,-0.2 0.657 84.1 99.2-111.1 -17.5 22.0 27.3 17.3 11 16 A F < - 0 0 4 -4,-2.3 74,-0.1 -5,-0.4 -4,-0.0 -0.633 53.6-162.4 -75.3 117.0 22.0 24.9 14.3 12 17 A N > - 0 0 68 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 -0.865 5.5-165.4-105.2 104.8 24.9 25.7 12.0 13 18 A P H > S+ 0 0 14 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.880 88.8 46.6 -56.0 -47.3 24.3 24.2 8.6 14 19 A R H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.873 113.4 48.0 -68.2 -38.5 27.9 24.6 7.4 15 20 A D H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 113.1 50.3 -63.5 -41.8 29.4 23.3 10.6 16 21 A Y H X S+ 0 0 5 -4,-2.9 4,-2.7 1,-0.2 5,-0.4 0.930 111.4 47.7 -61.2 -47.1 27.0 20.4 10.4 17 22 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.868 112.3 48.3 -64.6 -39.8 28.0 19.7 6.7 18 23 A E H X S+ 0 0 80 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.902 116.1 43.6 -68.7 -42.8 31.7 19.8 7.4 19 24 A K H < S+ 0 0 37 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.929 130.9 20.1 -65.0 -47.4 31.5 17.5 10.4 20 25 A Y H < S+ 0 0 8 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.779 130.4 30.2 -99.6 -28.6 29.1 15.0 8.9 21 26 A Y H < S+ 0 0 5 -4,-2.2 -3,-0.2 -5,-0.4 85,-0.1 0.082 80.7 99.5-129.8 23.3 29.2 15.2 5.1 22 27 A S < - 0 0 33 -4,-0.5 -1,-0.1 -5,-0.1 -4,-0.1 0.672 69.2-141.9 -89.9 -16.3 32.6 16.3 3.9 23 28 A F + 0 0 39 4,-0.1 4,-0.1 -3,-0.1 2,-0.1 0.980 46.3 154.3 47.3 66.0 34.1 12.9 2.9 24 29 A G - 0 0 38 2,-0.6 -1,-0.1 -6,-0.1 3,-0.0 -0.121 63.6-104.8-100.3-162.6 37.6 13.9 4.1 25 30 A S S S+ 0 0 114 -2,-0.1 3,-0.3 6,-0.0 2,-0.2 0.537 113.0 56.1 -96.3 -22.2 40.6 12.0 5.4 26 31 A R S S+ 0 0 162 1,-0.2 -2,-0.6 2,-0.1 5,-0.0 -0.651 92.1 50.8 -97.1 166.5 39.6 13.2 8.9 27 32 A H >> + 0 0 25 -2,-0.2 4,-2.5 -4,-0.1 3,-0.6 0.753 65.8 162.2 71.5 30.5 36.1 12.4 10.2 28 33 A C H 3> + 0 0 79 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.810 68.4 50.8 -47.6 -46.3 36.5 8.7 9.4 29 34 A A H 3> S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.877 112.9 47.4 -65.7 -38.0 33.7 7.4 11.6 30 35 A E H <> S+ 0 0 2 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.918 111.1 51.8 -64.5 -45.7 31.3 9.9 10.0 31 36 A N H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.890 109.0 50.7 -57.8 -43.2 32.6 8.9 6.5 32 37 A E H X S+ 0 0 88 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.894 110.4 48.0 -66.8 -42.3 31.9 5.2 7.3 33 38 A I H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.933 111.6 51.9 -61.4 -42.8 28.3 5.9 8.5 34 39 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.935 108.5 49.5 -62.2 -46.9 27.7 8.0 5.3 35 40 A R H X S+ 0 0 71 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.897 113.2 47.7 -54.1 -43.1 29.0 5.2 3.0 36 41 A H H X S+ 0 0 37 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.896 110.9 50.5 -69.1 -41.0 26.7 2.7 4.8 37 42 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.918 110.9 49.3 -58.2 -45.9 23.7 5.1 4.6 38 43 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.912 110.3 50.5 -65.1 -43.2 24.2 5.6 0.9 39 44 A K H X S+ 0 0 82 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.913 113.5 45.6 -59.0 -44.9 24.5 1.8 0.3 40 45 A N H X S+ 0 0 21 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.859 112.9 49.2 -68.0 -38.1 21.2 1.2 2.2 41 46 A L H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.865 109.1 54.4 -67.1 -38.5 19.4 4.0 0.5 42 47 A F H X>S+ 0 0 37 -4,-2.5 4,-2.6 -5,-0.2 5,-0.6 0.939 110.6 45.2 -57.3 -49.5 20.6 2.6 -2.9 43 48 A K H X5S+ 0 0 96 -4,-2.1 4,-1.5 3,-0.2 -2,-0.2 0.922 115.3 48.8 -57.9 -48.5 19.2 -0.8 -2.0 44 49 A I H <5S+ 0 0 5 -4,-2.4 6,-0.6 1,-0.2 4,-0.2 0.912 123.0 27.7 -59.3 -47.3 15.9 0.8 -0.8 45 50 A F H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.771 131.0 32.4 -93.5 -29.6 15.2 3.1 -3.8 46 51 A C H <5S+ 0 0 36 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.679 117.4 46.0-102.2 -19.9 16.9 1.3 -6.7 47 52 A L S < - 0 0 0 20,-3.1 3,-1.5 -3,-0.4 21,-0.2 0.723 18.5-169.5 -62.1 -26.3 16.0 17.4 5.2 61 66 A G T 3 - 0 0 0 19,-0.4 -1,-0.2 1,-0.2 29,-0.2 -0.386 60.4 -42.6 59.9-147.4 18.4 19.8 7.0 62 67 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.111 113.3 107.3 -94.1 19.6 21.0 21.3 4.7 63 68 A T < + 0 0 0 -3,-1.5 27,-0.1 1,-0.1 23,-0.0 -0.739 39.9 174.6-112.8 149.1 21.6 17.8 3.0 64 69 A I > + 0 0 1 -2,-0.3 3,-2.0 2,-0.1 4,-0.5 0.357 60.5 99.6-122.4 -0.3 20.8 16.2 -0.3 65 70 A Y G > S+ 0 0 1 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.827 80.8 58.6 -56.5 -34.9 22.7 12.8 0.2 66 71 A Q G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -6,-0.1 4,-0.2 0.481 105.8 49.3 -75.2 -4.8 19.4 11.1 1.1 67 72 A L G <> S+ 0 0 0 -3,-2.0 4,-2.3 2,-0.1 -1,-0.2 0.478 82.6 91.9-110.2 -6.3 17.9 12.1 -2.3 68 73 A L T <4 S+ 0 0 0 -3,-0.9 -2,-0.1 -4,-0.5 4,-0.1 0.901 100.3 27.1 -66.6 -43.9 20.6 10.9 -4.6 69 74 A S T >4 S+ 0 0 5 -4,-0.4 3,-2.0 1,-0.1 4,-0.4 0.852 116.1 64.6 -80.5 -36.4 19.2 7.4 -5.2 70 75 A A G >> S+ 0 0 0 1,-0.3 4,-1.8 -4,-0.2 3,-1.8 0.824 90.8 64.3 -55.9 -38.1 15.6 8.4 -4.5 71 76 A C G 3< S+ 0 0 6 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.628 93.5 61.9 -64.5 -11.5 15.6 10.8 -7.6 72 77 A E G <4 S+ 0 0 64 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.628 116.4 31.9 -81.9 -14.9 16.0 7.7 -9.9 73 78 A S T <4 S+ 0 0 14 -3,-1.8 -21,-1.8 -4,-0.4 2,-0.4 0.545 119.1 49.8-117.6 -20.0 12.6 6.4 -8.5 74 79 A F E < -a 52 0A 0 -4,-1.8 -1,-0.2 -23,-0.2 -21,-0.2 -0.995 55.2-166.1-127.5 127.1 10.6 9.6 -7.8 75 80 A T E S+ 0 0 95 -23,-0.6 2,-0.4 -2,-0.4 -21,-0.1 0.558 80.0 51.9 -87.8 -12.0 10.3 12.3 -10.4 76 81 A E E +a 54 0A 68 -23,-1.8 -21,-3.1 -24,-0.1 2,-0.4 -0.991 65.6 178.0-130.9 124.2 9.0 14.8 -7.9 77 82 A I E -ac 55 131A 0 53,-3.0 55,-2.9 -2,-0.4 56,-0.8 -0.968 12.7-164.7-126.6 135.9 10.7 15.6 -4.6 78 83 A I E -ac 56 133A 5 -23,-2.4 -21,-3.3 -2,-0.4 2,-0.4 -0.984 11.4-159.5-116.8 128.9 9.7 18.1 -1.8 79 84 A V E +ac 57 134A 2 54,-2.1 56,-2.9 -2,-0.4 2,-0.3 -0.888 15.9 175.7-108.1 146.0 12.4 19.0 0.7 80 85 A S E +ac 58 135A 0 -23,-0.8 -20,-3.1 -2,-0.4 -21,-0.7 -0.999 10.2 169.0-153.5 148.7 11.5 20.4 4.1 81 86 A D E - c 0 136A 0 54,-1.9 56,-1.9 -2,-0.3 6,-0.0 -0.989 38.1-127.5-156.9 159.5 13.0 21.5 7.4 82 87 A Y S S+ 0 0 27 -2,-0.3 2,-0.6 54,-0.2 -1,-0.1 0.843 91.4 76.1 -75.7 -30.8 12.1 23.3 10.6 83 88 A T >> - 0 0 0 1,-0.1 4,-1.6 -3,-0.1 3,-1.2 -0.735 66.0-155.0 -96.3 113.7 15.2 25.6 10.3 84 89 A D H 3> S+ 0 0 64 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.844 94.9 57.6 -50.1 -39.7 15.1 28.4 7.8 85 90 A Q H 3> S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.784 103.3 53.2 -70.1 -24.0 18.9 28.5 7.6 86 91 A N H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.919 107.7 51.8 -70.4 -44.3 19.0 24.9 6.5 87 92 A L H X S+ 0 0 18 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.913 107.4 51.4 -55.8 -45.0 16.5 25.7 3.8 88 93 A W H X S+ 0 0 161 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.917 108.7 53.0 -59.4 -38.6 18.7 28.6 2.5 89 94 A E H X S+ 0 0 15 -4,-1.5 4,-1.6 2,-0.2 12,-0.3 0.934 111.2 44.8 -64.1 -42.9 21.6 26.1 2.4 90 95 A L H X S+ 0 0 7 -4,-2.4 4,-3.4 1,-0.2 -2,-0.2 0.933 111.0 54.5 -62.9 -47.3 19.5 23.7 0.3 91 96 A Q H X S+ 0 0 49 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.859 104.1 56.2 -53.5 -41.4 18.3 26.6 -2.0 92 97 A K H <>S+ 0 0 68 -4,-2.4 5,-2.7 -5,-0.2 4,-0.4 0.945 112.9 39.7 -55.6 -51.5 22.0 27.6 -2.5 93 98 A W H ><5S+ 0 0 10 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.919 113.6 54.8 -66.9 -45.0 22.8 24.2 -3.9 94 99 A L H 3<5S+ 0 0 33 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.926 116.5 36.8 -52.1 -44.5 19.5 23.9 -5.8 95 100 A K T 3<5S- 0 0 125 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.344 110.4-117.5 -98.9 6.5 20.1 27.1 -7.7 96 101 A K T < 5 + 0 0 150 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.881 53.0 169.7 60.5 43.5 23.9 26.7 -8.1 97 102 A E > < - 0 0 90 -5,-2.7 3,-1.6 -6,-0.2 2,-0.2 -0.462 43.3 -95.2 -80.8 153.6 24.7 29.8 -6.0 98 103 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.521 114.3 36.7 -66.5 138.5 28.3 30.7 -4.9 99 104 A G T 3 S+ 0 0 46 1,-0.4 -6,-0.1 -2,-0.2 -7,-0.1 0.307 82.1 141.0 95.5 -9.3 28.7 29.4 -1.3 100 105 A A < - 0 0 25 -3,-1.6 -1,-0.4 -8,-0.2 -10,-0.1 -0.425 62.5 -99.5 -63.4 143.1 26.7 26.2 -2.0 101 106 A F - 0 0 26 -12,-0.3 2,-0.8 -39,-0.1 -1,-0.1 -0.332 34.6-114.7 -65.3 146.5 28.2 23.2 -0.2 102 107 A D + 0 0 102 1,-0.1 4,-0.1 -3,-0.1 -1,-0.1 -0.780 36.8 171.3 -88.9 108.7 30.3 20.9 -2.5 103 108 A W >> + 0 0 2 -2,-0.8 4,-2.7 1,-0.2 3,-1.2 0.381 42.8 115.3 -91.7 -1.0 28.6 17.5 -2.7 104 109 A S H 3> S+ 0 0 53 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.835 74.1 47.2 -37.7 -58.9 31.0 16.3 -5.5 105 110 A P H 3> S+ 0 0 48 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.803 115.7 46.1 -62.2 -28.3 32.6 13.4 -3.5 106 111 A V H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.896 112.0 50.3 -77.0 -42.8 29.2 12.1 -2.3 107 112 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.963 110.9 49.6 -59.1 -50.5 27.7 12.3 -5.8 108 113 A T H X S+ 0 0 79 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.891 109.9 52.1 -53.3 -44.3 30.7 10.4 -7.2 109 114 A Y H X S+ 0 0 51 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.870 111.1 46.1 -63.3 -39.4 30.3 7.7 -4.5 110 115 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.904 108.9 54.7 -69.2 -42.2 26.6 7.3 -5.3 111 116 A C H <>S+ 0 0 4 -4,-2.8 5,-2.4 1,-0.2 6,-0.5 0.906 109.7 49.9 -58.4 -38.8 27.3 7.1 -9.1 112 117 A D H ><5S+ 0 0 79 -4,-2.2 3,-2.1 3,-0.2 -2,-0.2 0.922 106.6 52.5 -58.6 -53.6 29.8 4.3 -8.2 113 118 A L H 3<5S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.2 54.9 -49.5 -35.9 27.3 2.4 -6.1 114 119 A E T ><5S- 0 0 27 -4,-1.9 3,-0.5 -5,-0.1 -1,-0.3 0.058 128.3 -94.6 -94.5 20.3 24.9 2.6 -9.1 115 120 A G T < 5 - 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