==== 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 26-MAR-99 1QAO . COMPND 2 MOLECULE: ERMC' METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.SCHLUCKEBIER,P.ZHONG,K. D.STEWART,T. J.KAVANAUGH,C.ABAD- . 237 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 8.4 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 . 0 0.0 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 . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 2 1 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 1 1 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 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 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 9 A S 0 0 118 0, 0.0 2,-0.6 0, 0.0 96,-0.1 0.000 360.0 360.0 360.0 -75.5 23.2 35.1 18.8 2 10 A Q + 0 0 65 93,-0.1 2,-0.2 2,-0.0 92,-0.0 -0.667 360.0 179.6-117.6 78.4 20.5 37.5 19.8 3 11 A N - 0 0 24 -2,-0.6 2,-0.4 235,-0.1 155,-0.1 -0.521 9.3-158.1 -78.6 140.9 17.7 37.2 17.1 4 12 A F B -A 156 0A 25 152,-1.8 152,-0.7 -2,-0.2 2,-0.7 -0.942 15.5-155.7-122.2 142.7 14.7 39.4 17.5 5 13 A I + 0 0 0 -2,-0.4 150,-0.2 233,-0.2 149,-0.1 -0.951 30.2 157.7-114.1 105.0 11.2 38.9 16.0 6 14 A T + 0 0 73 -2,-0.7 2,-0.8 148,-0.3 -1,-0.1 0.453 29.2 108.8-111.4 -2.9 9.8 42.4 15.9 7 15 A S >> - 0 0 51 147,-0.4 4,-2.5 1,-0.2 3,-0.8 -0.679 53.7-155.0 -82.6 112.9 7.1 42.5 13.3 8 16 A K H 3> S+ 0 0 103 -2,-0.8 4,-2.8 1,-0.3 5,-0.2 0.873 96.0 58.1 -50.2 -41.3 3.7 42.8 15.1 9 17 A H H 3> S+ 0 0 122 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.907 111.9 40.7 -56.3 -43.6 2.1 41.2 12.1 10 18 A N H <> S+ 0 0 28 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.782 111.8 54.9 -76.6 -30.9 4.3 38.2 12.6 11 19 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.902 105.9 52.9 -69.6 -40.3 4.1 38.1 16.3 12 20 A D H X S+ 0 0 69 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.898 108.2 50.9 -61.7 -39.5 0.3 38.0 16.1 13 21 A K H < S+ 0 0 96 -4,-1.2 4,-0.5 -5,-0.2 3,-0.3 0.926 112.1 45.7 -64.7 -42.9 0.5 35.0 13.8 14 22 A I H >< S+ 0 0 6 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.886 110.0 54.3 -66.8 -37.7 2.8 33.1 16.1 15 23 A M H >< S+ 0 0 7 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.747 93.1 75.1 -66.7 -23.4 0.6 34.1 19.2 16 24 A T T 3< S+ 0 0 101 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.818 100.2 40.5 -57.2 -33.0 -2.3 32.5 17.2 17 25 A N T < S+ 0 0 38 -3,-1.3 2,-1.0 -4,-0.5 -1,-0.3 0.455 96.5 91.1 -95.4 -3.8 -0.9 29.0 18.0 18 26 A I < - 0 0 0 -3,-1.0 2,-1.2 -4,-0.3 -1,-0.1 -0.803 60.3-166.7 -98.6 99.9 -0.0 29.9 21.6 19 27 A R + 0 0 151 -2,-1.0 2,-0.4 2,-0.0 -3,-0.1 -0.699 29.4 141.8 -92.5 91.4 -3.0 29.1 23.8 20 28 A L - 0 0 5 -2,-1.2 2,-0.2 4,-0.0 -2,-0.1 -0.977 35.1-147.0-125.1 138.0 -2.3 30.7 27.1 21 29 A N > - 0 0 72 -2,-0.4 3,-2.1 1,-0.0 24,-0.6 -0.597 29.6 -93.2-110.3 171.4 -5.1 32.3 29.0 22 30 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.0 22,-0.2 22,-0.0 0.707 119.5 53.5 -48.2 -29.0 -5.7 35.3 31.3 23 31 A H T 3 S+ 0 0 129 21,-0.2 2,-0.3 22,-0.1 -1,-0.3 0.472 84.4 103.5 -92.3 -2.4 -5.2 33.1 34.5 24 32 A D < - 0 0 26 -3,-2.1 21,-1.2 19,-0.2 22,-1.1 -0.610 62.4-141.0 -84.5 138.1 -1.8 31.6 33.6 25 33 A N E -b 46 0B 42 62,-0.5 64,-2.3 -2,-0.3 2,-0.4 -0.811 27.0-155.9 -92.8 136.4 1.4 32.8 35.2 26 34 A I E -bc 47 89B 1 20,-3.2 22,-3.0 -2,-0.4 2,-0.6 -0.939 21.5-162.6-124.6 138.4 4.2 32.9 32.7 27 35 A F E -bc 48 90B 13 62,-2.1 64,-1.8 -2,-0.4 2,-0.5 -0.966 19.8-157.4-110.0 116.4 8.0 32.7 32.8 28 36 A E E -bc 49 91B 0 20,-1.9 22,-2.6 -2,-0.6 2,-0.7 -0.843 7.7-142.3 -99.3 133.2 9.5 33.9 29.5 29 37 A I E S-bc 50 92B 4 62,-2.2 64,-0.7 -2,-0.5 22,-0.1 -0.819 80.5 -4.7 -92.6 115.0 13.0 32.8 28.6 30 38 A G - 0 0 2 20,-2.4 63,-0.3 -2,-0.7 -1,-0.2 0.992 63.3-170.7 68.6 67.8 14.9 35.6 26.9 31 39 A S > - 0 0 0 -3,-0.4 3,-2.9 19,-0.2 6,-0.4 0.642 19.3-179.1 -63.4 -14.1 12.5 38.5 26.5 32 40 A G T 3 S- 0 0 0 1,-0.3 28,-0.4 206,-0.2 -1,-0.2 -0.232 70.3 -7.5 51.6-127.6 15.0 40.4 24.4 33 41 A K T 3 S- 0 0 85 -3,-0.1 -1,-0.3 26,-0.1 30,-0.1 0.384 105.1-106.3 -80.2 5.6 13.6 43.8 23.3 34 42 A G S <> S+ 0 0 0 -3,-2.9 4,-2.1 -4,-0.1 5,-0.2 0.569 77.2 134.5 85.0 11.5 10.3 42.7 24.8 35 43 A H H > S+ 0 0 31 -4,-0.3 4,-0.7 2,-0.2 -3,-0.1 0.888 83.3 32.1 -61.6 -43.8 8.2 42.1 21.7 36 44 A F H >> S+ 0 0 0 -5,-0.3 4,-2.5 2,-0.2 3,-0.6 0.862 113.5 64.5 -78.4 -36.1 6.7 38.8 22.9 37 45 A T H 3> S+ 0 0 0 -6,-0.4 4,-2.2 1,-0.3 -2,-0.2 0.862 99.3 53.2 -53.6 -39.7 6.7 40.0 26.5 38 46 A L H 3X S+ 0 0 28 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.849 110.0 46.0 -68.0 -34.1 4.2 42.7 25.5 39 47 A E H X S+ 0 0 0 -4,-2.5 4,-3.8 2,-0.2 3,-0.6 0.906 105.7 48.9 -65.3 -44.5 2.2 37.9 27.0 41 49 A V H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.904 112.5 48.6 -63.8 -39.5 1.3 40.5 29.7 42 50 A Q H 3< S+ 0 0 120 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.645 121.9 37.3 -73.1 -13.1 -1.8 41.6 27.7 43 51 A R H << S+ 0 0 89 -4,-0.7 -2,-0.2 -3,-0.6 2,-0.2 0.766 114.7 49.5-107.0 -35.7 -2.7 37.9 27.4 44 52 A C S < S- 0 0 7 -4,-3.8 -22,-0.2 -5,-0.1 -21,-0.2 -0.627 79.0-112.1-112.2 166.6 -1.7 36.3 30.7 45 53 A N S S- 0 0 80 -21,-1.2 2,-0.3 -24,-0.6 -20,-0.2 0.906 94.3 -11.4 -58.6 -50.0 -2.1 36.8 34.4 46 54 A F E -b 25 0B 56 -22,-1.1 -20,-3.2 -6,-0.1 2,-0.5 -0.988 59.5-150.1-155.6 147.6 1.5 37.7 35.2 47 55 A V E -bd 26 70B 0 22,-1.8 24,-1.6 -2,-0.3 2,-0.9 -0.911 4.2-168.1-132.1 111.1 4.8 37.5 33.3 48 56 A T E -bd 27 71B 10 -22,-3.0 -20,-1.9 -2,-0.5 2,-0.5 -0.832 19.0-159.7 -94.3 107.0 8.2 36.9 34.9 49 57 A A E -bd 28 72B 0 22,-3.1 24,-3.2 -2,-0.9 2,-0.6 -0.768 3.6-159.2 -90.4 130.1 10.7 37.7 32.2 50 58 A I E +bd 29 73B 4 -22,-2.6 -20,-2.4 -2,-0.5 2,-0.5 -0.923 18.6 167.8-112.7 110.0 14.2 36.3 32.6 51 59 A E - 0 0 0 22,-2.3 6,-0.1 -2,-0.6 25,-0.1 -0.974 25.8-162.8-127.9 121.0 16.9 38.1 30.5 52 60 A I S S+ 0 0 85 -2,-0.5 2,-0.7 22,-0.2 -1,-0.1 0.761 74.6 82.9 -70.7 -26.5 20.6 37.6 31.0 53 61 A D > - 0 0 45 1,-0.2 4,-1.7 22,-0.1 22,-0.1 -0.716 68.3-155.5 -84.1 116.4 21.5 40.8 29.2 54 62 A H H > S+ 0 0 141 -2,-0.7 4,-1.1 1,-0.2 -1,-0.2 0.864 92.7 52.7 -60.9 -35.6 21.2 43.8 31.5 55 63 A K H >> S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 3,-1.1 0.971 107.3 51.0 -64.6 -52.6 20.6 46.2 28.7 56 64 A L H 3> S+ 0 0 8 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.818 101.9 61.1 -54.3 -35.0 17.8 44.2 27.2 57 65 A C H 3X S+ 0 0 7 -4,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.891 105.8 48.7 -60.3 -36.5 16.0 44.0 30.5 58 66 A K H < S+ 0 0 87 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.913 106.8 51.7 -64.4 -42.4 10.5 50.2 28.7 63 71 A K H 3< S+ 0 0 80 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.848 112.2 45.8 -64.0 -32.0 8.3 48.4 26.3 64 72 A L T >< S+ 0 0 0 -4,-1.9 3,-3.2 1,-0.2 -1,-0.3 0.213 74.7 123.5 -95.3 13.0 6.0 47.3 29.1 65 73 A V T < S+ 0 0 112 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.814 73.7 51.1 -41.4 -41.4 5.8 50.7 30.7 66 74 A D T 3 S+ 0 0 138 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.3 0.300 102.4 75.7 -86.2 12.0 2.1 50.8 30.4 67 75 A H < - 0 0 45 -3,-3.2 3,-0.1 1,-0.1 -3,-0.0 -0.903 48.9-174.7-124.6 151.7 1.6 47.4 32.1 68 76 A D + 0 0 154 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 0.594 66.0 84.0-118.7 -13.9 1.8 46.3 35.7 69 77 A N S S+ 0 0 42 -25,-0.1 -22,-1.8 -23,-0.1 2,-0.2 -0.201 82.5 69.8 -88.3 45.4 1.4 42.5 35.7 70 78 A F E -d 47 0B 39 -2,-0.8 2,-0.2 -24,-0.2 -22,-0.2 -0.782 54.5-157.5-142.4-170.5 5.1 41.6 34.9 71 79 A Q E -d 48 0B 84 -24,-1.6 -22,-3.1 -2,-0.2 2,-0.6 -0.815 12.0-147.5-173.6 127.9 8.6 41.6 36.4 72 80 A V E -d 49 0B 18 -2,-0.2 2,-0.5 -24,-0.2 -22,-0.2 -0.917 14.7-167.5-112.0 112.1 11.9 41.5 34.5 73 81 A L E -d 50 0B 44 -24,-3.2 -22,-2.3 -2,-0.6 2,-1.6 -0.840 18.0-140.9-101.6 128.7 14.7 39.6 36.2 74 82 A N + 0 0 79 -2,-0.5 2,-0.3 -24,-0.2 -22,-0.2 -0.639 57.8 118.1 -87.8 83.8 18.2 40.0 35.0 75 83 A K - 0 0 119 -2,-1.6 2,-0.5 -22,-0.1 -22,-0.1 -0.883 69.7 -93.2-143.4 173.2 19.4 36.5 35.4 76 84 A D >> - 0 0 53 -2,-0.3 4,-1.8 1,-0.2 3,-0.9 -0.796 27.8-145.7 -89.6 124.4 20.8 33.4 33.6 77 85 A I T 34 S+ 0 0 11 -2,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.931 99.3 59.1 -55.9 -45.1 17.9 31.0 32.8 78 86 A L T 34 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.813 112.4 39.1 -54.5 -31.6 20.2 28.0 33.4 79 87 A Q T <4 S+ 0 0 147 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.704 90.3 114.4 -92.1 -21.6 20.7 29.2 37.0 80 88 A F < - 0 0 27 -4,-1.8 2,-0.7 -3,-0.4 -3,-0.0 -0.138 59.9-139.5 -53.1 139.7 17.2 30.4 37.7 81 89 A K - 0 0 171 29,-0.0 -1,-0.1 0, 0.0 3,-0.1 -0.869 18.3-148.9-108.6 103.6 15.2 28.5 40.3 82 90 A F - 0 0 9 -2,-0.7 24,-0.0 27,-0.5 -55,-0.0 -0.182 30.8 -85.3 -66.0 156.8 11.5 28.0 39.3 83 91 A P - 0 0 34 0, 0.0 28,-0.4 0, 0.0 3,-0.2 -0.250 31.3-157.8 -61.4 150.9 8.7 27.8 41.8 84 92 A K S S+ 0 0 153 1,-0.1 -2,-0.0 -3,-0.1 26,-0.0 0.632 85.0 37.9-107.7 -17.2 7.9 24.4 43.4 85 93 A N S S+ 0 0 163 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.281 99.8 93.1-126.3 48.8 4.3 24.7 44.5 86 94 A Q - 0 0 76 -3,-0.2 2,-0.7 2,-0.0 25,-0.1 -0.991 69.0-125.5-145.0 150.0 2.8 26.7 41.6 87 95 A S + 0 0 106 -2,-0.3 -62,-0.5 25,-0.1 2,-0.3 -0.835 49.7 146.2 -92.8 118.5 1.1 26.3 38.3 88 96 A Y - 0 0 2 -2,-0.7 25,-1.7 23,-0.3 26,-0.6 -0.973 33.1-146.4-148.7 162.9 3.0 28.1 35.6 89 97 A K E -ce 26 114B 23 -64,-2.3 -62,-2.1 -2,-0.3 2,-0.4 -0.828 14.3-133.6-127.9 164.9 3.8 27.8 32.0 90 98 A I E +ce 27 115B 0 24,-2.3 26,-3.6 -2,-0.3 2,-0.4 -0.963 17.1 179.8-127.9 141.8 6.8 28.8 30.0 91 99 A F E +ce 28 116B 0 -64,-1.8 -62,-2.2 -2,-0.4 2,-0.3 -0.990 14.6 158.8-133.7 144.7 7.3 30.6 26.7 92 100 A G E -ce 29 117B 0 24,-2.0 26,-2.3 -2,-0.4 2,-0.9 -0.858 40.7-153.2-173.2 134.8 10.5 31.4 24.9 93 101 A N E - e 0 118B 3 -64,-0.7 26,-0.1 -63,-0.3 24,-0.1 -0.898 49.1-167.0-102.7 96.2 12.3 32.3 21.7 94 102 A I - 0 0 8 24,-1.2 2,-0.1 -2,-0.9 5,-0.1 -0.579 23.2-100.6 -98.8 155.4 15.6 30.8 22.7 95 103 A P > - 0 0 5 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.410 25.3-136.5 -67.2 135.4 19.2 30.9 21.4 96 104 A Y G > S+ 0 0 114 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.848 97.4 67.4 -64.2 -37.0 20.4 27.9 19.4 97 105 A N G 3 S+ 0 0 119 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.716 115.7 26.6 -58.0 -23.1 23.7 27.6 21.1 98 106 A I G <> S+ 0 0 35 -3,-1.0 4,-2.8 2,-0.1 5,-0.3 0.083 82.4 117.7-127.7 23.6 22.1 26.6 24.4 99 107 A S H <> S+ 0 0 1 -3,-1.5 4,-3.0 1,-0.2 5,-0.3 0.955 80.2 48.1 -54.5 -52.9 18.8 25.0 23.2 100 108 A T H > S+ 0 0 62 -4,-0.4 4,-2.2 1,-0.2 5,-0.2 0.925 113.1 46.1 -54.6 -52.1 19.7 21.7 24.7 101 109 A D H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 115.4 47.6 -59.0 -44.8 20.7 23.1 28.1 102 110 A I H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.905 112.0 48.2 -64.1 -43.3 17.6 25.3 28.3 103 111 A I H X S+ 0 0 0 -4,-3.0 4,-1.3 -5,-0.3 5,-0.2 0.866 113.8 46.6 -69.7 -32.2 15.2 22.6 27.4 104 112 A R H X>S+ 0 0 86 -4,-2.2 4,-3.2 -5,-0.3 5,-0.6 0.920 111.8 53.1 -71.3 -42.5 16.7 20.1 29.9 105 113 A K H X5S+ 0 0 28 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.870 114.3 39.9 -58.6 -42.4 16.7 22.8 32.5 106 114 A I H <5S+ 0 0 0 -4,-2.2 6,-0.4 2,-0.2 -1,-0.2 0.700 121.2 42.3 -85.6 -18.6 13.0 23.6 32.1 107 115 A V H <5S+ 0 0 1 -4,-1.3 3,-0.3 -5,-0.2 -2,-0.2 0.885 128.1 26.5 -91.1 -44.6 11.8 20.0 31.6 108 116 A F H <5S+ 0 0 77 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.708 130.8 35.8 -92.1 -21.5 13.9 18.4 34.4 109 117 A D S < - 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