==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-AUG-04 1WOR . COMPND 2 MOLECULE: AMINOMETHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR H.H.LEE,D.J.KIM,H.J.AHN,J.Y.HA,S.W.SUH . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 29.6 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 33 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 1 1 0 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 4 1 4 1 3 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 1 0 0 0 3 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 M 0 0 122 0, 0.0 22,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 161.3 19.5 11.6 14.3 2 2 A K B -a 23 0A 118 20,-3.1 22,-3.1 48,-0.0 2,-0.4 -0.539 360.0-150.8 -76.9 147.2 18.4 13.8 11.4 3 3 A R - 0 0 148 20,-0.2 22,-0.1 -2,-0.2 20,-0.0 -0.977 5.4-135.4-125.2 133.8 20.3 17.1 11.0 4 4 A T > - 0 0 7 20,-0.4 3,-1.8 -2,-0.4 4,-0.3 -0.292 37.4 -99.7 -76.8 169.6 19.0 20.4 9.6 5 5 A P T 3 S+ 0 0 54 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.576 124.3 55.6 -67.7 -5.4 21.2 22.4 7.1 6 6 A L T 3> S+ 0 0 0 1,-0.1 4,-2.1 2,-0.1 3,-0.3 0.275 72.0 107.3-107.4 8.3 22.1 24.6 10.1 7 7 A F H <> S+ 0 0 31 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.937 78.9 52.0 -50.4 -52.3 23.4 21.8 12.3 8 8 A E H > S+ 0 0 95 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.866 107.9 52.6 -54.3 -39.4 27.0 22.9 11.8 9 9 A K H > S+ 0 0 41 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.906 109.2 49.0 -64.3 -41.8 26.1 26.5 12.8 10 10 A H H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 -2,-0.2 0.922 111.5 49.4 -64.2 -42.9 24.5 25.2 16.0 11 11 A V H ><5S+ 0 0 75 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.924 109.9 50.8 -61.8 -44.7 27.6 23.1 16.9 12 12 A E H 3<5S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.862 104.6 57.8 -61.7 -36.3 29.9 26.0 16.2 13 13 A L T 3<5S- 0 0 52 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.450 115.2-118.9 -74.1 0.3 27.8 28.2 18.5 14 14 A G T < 5 + 0 0 57 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.758 50.7 172.9 68.2 27.6 28.4 25.7 21.3 15 15 A A < - 0 0 15 -5,-2.0 2,-0.6 1,-0.1 14,-0.3 -0.297 37.2-117.5 -69.3 150.7 24.8 24.8 21.7 16 16 A K E -B 28 0A 108 12,-2.7 11,-3.4 1,-0.0 12,-1.0 -0.799 38.3-138.5 -86.9 123.9 23.6 22.0 24.0 17 17 A M E -B 26 0A 52 -2,-0.6 2,-0.3 9,-0.3 7,-0.1 -0.495 22.5-177.6 -88.8 156.2 21.9 19.4 21.8 18 18 A V E -B 25 0A 53 7,-2.8 7,-2.7 -2,-0.2 2,-0.7 -0.979 31.8-111.9-146.7 151.7 18.7 17.5 22.4 19 19 A D E +B 24 0A 93 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.795 38.6 176.0 -89.3 114.2 16.8 14.8 20.4 20 20 A F E > -B 23 0A 74 3,-2.7 3,-2.2 -2,-0.7 -2,-0.0 -0.957 69.2 -26.5-124.7 116.1 13.5 16.3 19.2 21 21 A A T 3 S- 0 0 36 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.851 126.6 -50.4 53.3 36.6 11.3 14.2 16.9 22 22 A G T 3 S+ 0 0 25 1,-0.3 -20,-3.1 -21,-0.1 2,-0.4 0.498 115.5 117.9 82.6 2.8 14.3 12.3 15.7 23 23 A W E < -aB 2 20A 41 -3,-2.2 -3,-2.7 -22,-0.2 2,-1.1 -0.842 68.7-126.8-106.8 142.3 16.3 15.5 14.9 24 24 A E E + B 0 19A 34 -22,-3.1 -20,-0.4 -2,-0.4 -5,-0.2 -0.759 49.5 170.2 -85.5 102.2 19.5 16.6 16.5 25 25 A M E - B 0 18A 0 -7,-2.7 -7,-2.8 -2,-1.1 2,-0.5 -0.827 39.8-101.9-120.8 157.0 18.5 20.1 17.7 26 26 A P E - B 0 17A 3 0, 0.0 198,-2.8 0, 0.0 -9,-0.3 -0.632 23.0-171.8 -78.5 119.1 19.8 22.9 19.9 27 27 A L E S- 0 0 36 -11,-3.4 198,-2.3 -2,-0.5 199,-0.6 0.887 74.0 -30.4 -74.3 -40.0 18.1 23.0 23.3 28 28 A Y E - B 0 16A 69 -12,-1.0 -12,-2.7 195,-0.2 -1,-0.4 -0.949 43.8-149.7-170.6 158.5 19.9 26.3 24.0 29 29 A Y S S- 0 0 21 192,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.794 96.5 -3.9-103.5 -46.5 23.1 28.1 23.1 30 30 A T S S- 0 0 65 1,-0.3 2,-0.3 -15,-0.0 3,-0.1 0.728 128.7 -34.7-110.4 -68.0 23.7 30.2 26.2 31 31 A S > - 0 0 39 1,-0.1 4,-2.1 -4,-0.0 -1,-0.3 -0.974 44.0-122.1-158.3 148.9 20.7 29.7 28.5 32 32 A I H > S+ 0 0 58 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.912 115.2 51.3 -58.9 -42.0 17.0 29.1 28.1 33 33 A F H > S+ 0 0 127 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.935 108.6 48.3 -61.1 -50.2 16.3 32.2 30.2 34 34 A E H > S+ 0 0 61 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.884 113.8 48.4 -58.9 -39.3 18.6 34.5 28.2 35 35 A E H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.851 109.5 52.1 -71.9 -33.9 17.1 33.3 24.9 36 36 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.927 109.8 48.0 -68.0 -44.1 13.5 33.7 26.2 37 37 A M H X S+ 0 0 58 -4,-2.4 4,-2.4 1,-0.2 5,-0.4 0.820 106.5 58.9 -67.1 -27.1 14.2 37.3 27.3 38 38 A A H X S+ 0 0 6 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.907 108.2 45.2 -65.8 -40.1 15.8 38.0 23.9 39 39 A V H < S+ 0 0 0 -4,-1.5 -2,-0.2 4,-0.2 -1,-0.2 0.872 117.3 45.7 -68.2 -37.4 12.5 37.0 22.3 40 40 A R H < S+ 0 0 24 -4,-2.0 -2,-0.2 108,-0.1 -1,-0.2 0.759 126.9 24.7 -78.4 -26.5 10.6 39.1 24.8 41 41 A K H < S- 0 0 159 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.714 136.0 -15.9-113.1 -28.6 12.8 42.2 24.6 42 42 A S S < S- 0 0 5 -4,-2.2 108,-2.1 -5,-0.4 109,-0.4 0.223 103.5 -39.4-138.7 -92.3 14.6 42.3 21.2 43 43 A V - 0 0 0 175,-0.2 177,-2.3 105,-0.2 2,-0.4 -0.978 34.7-166.9-155.8 139.3 14.8 39.3 18.9 44 44 A G E -Cd 147 220B 0 103,-3.1 103,-2.5 -2,-0.3 2,-0.5 -0.988 16.1-149.6-123.6 132.8 15.4 35.5 19.1 45 45 A M E -Cd 146 221B 0 175,-2.2 177,-3.4 -2,-0.4 2,-0.4 -0.914 13.7-165.6-108.4 126.9 16.2 33.5 15.9 46 46 A F E -C 145 0B 2 99,-3.1 99,-2.6 -2,-0.5 2,-0.8 -0.915 19.8-138.3-115.4 137.6 15.1 29.9 15.7 47 47 A D E +C 144 0B 5 175,-0.5 97,-0.2 -2,-0.4 3,-0.1 -0.809 32.0 163.3 -88.7 112.2 16.1 27.1 13.4 48 48 A V > + 0 0 0 95,-2.4 3,-1.6 -2,-0.8 96,-0.2 -0.111 28.6 125.8-122.0 36.9 12.8 25.3 12.6 49 49 A S T 3 + 0 0 7 1,-0.3 92,-0.1 94,-0.1 -1,-0.1 0.463 59.8 76.5 -73.1 -2.5 14.0 23.5 9.5 50 50 A H T 3 S+ 0 0 2 93,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.692 75.9 98.9 -79.5 -18.6 12.8 20.2 11.1 51 51 A M S < S- 0 0 19 -3,-1.6 2,-0.2 92,-0.1 61,-0.2 -0.316 76.0-123.2 -66.0 149.9 9.3 21.3 10.2 52 52 A G E -I 111 0C 0 59,-2.2 59,-1.9 87,-0.0 2,-0.4 -0.646 17.4-157.2 -99.5 156.7 7.8 19.8 7.0 53 53 A E E -I 110 0C 0 -2,-0.2 84,-2.1 57,-0.2 85,-0.7 -0.995 6.3-171.5-134.9 128.1 6.5 21.4 3.9 54 54 A F E -IJ 109 136C 0 55,-2.7 55,-3.1 -2,-0.4 2,-0.5 -0.920 10.8-149.5-117.1 143.2 4.0 19.9 1.4 55 55 A L E -IJ 108 135C 27 80,-2.9 80,-2.4 -2,-0.4 2,-0.5 -0.949 6.0-166.1-117.0 131.1 3.1 21.4 -1.9 56 56 A V E +IJ 107 134C 0 51,-2.8 51,-2.1 -2,-0.5 2,-0.4 -0.972 15.2 178.6-115.7 117.3 -0.4 20.9 -3.5 57 57 A K E +IJ 106 133C 107 76,-2.5 76,-2.3 -2,-0.5 49,-0.2 -0.970 27.7 71.9-125.4 137.6 -0.5 21.9 -7.2 58 58 A G S > S- 0 0 14 47,-2.0 3,-1.8 -2,-0.4 4,-0.2 -0.706 86.5 -68.6 144.2 164.6 -3.4 21.7 -9.6 59 59 A P T 3 S+ 0 0 79 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.766 128.9 44.2 -53.1 -32.6 -6.8 23.2 -10.6 60 60 A E T 3> S+ 0 0 79 71,-2.0 4,-2.1 1,-0.2 5,-0.2 -0.001 73.0 120.4-107.2 30.7 -8.5 21.9 -7.4 61 61 A A H <> S+ 0 0 0 -3,-1.8 4,-2.1 43,-0.4 5,-0.2 0.902 77.5 48.7 -57.4 -43.3 -5.8 22.8 -4.9 62 62 A V H > S+ 0 0 33 42,-0.8 4,-2.6 -3,-0.3 -1,-0.2 0.942 111.7 45.3 -65.5 -50.4 -8.2 24.9 -3.0 63 63 A S H > S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.834 111.8 54.7 -64.9 -31.3 -11.1 22.4 -2.7 64 64 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 3,-0.3 0.961 111.0 43.3 -65.7 -51.2 -8.6 19.7 -1.8 65 65 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 3,-0.3 0.931 112.8 53.4 -58.9 -45.2 -7.2 21.6 1.1 66 66 A D H < S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.806 108.5 50.7 -61.0 -29.3 -10.7 22.7 2.2 67 67 A F H < S+ 0 0 65 -4,-1.4 198,-2.5 -3,-0.3 -1,-0.2 0.835 115.0 43.1 -76.3 -33.6 -11.7 19.1 2.2 68 68 A L H < S+ 0 0 0 -4,-1.8 19,-0.6 -3,-0.3 -2,-0.2 0.880 108.7 59.2 -80.6 -41.9 -8.7 18.1 4.4 69 69 A I B < S-K 86 0C 0 -4,-2.9 17,-0.2 17,-0.2 4,-0.2 -0.572 70.4-135.3 -97.3 157.2 -8.7 20.9 7.0 70 70 A T S S+ 0 0 0 15,-2.2 189,-2.4 -2,-0.2 192,-0.2 0.791 82.8 77.8 -75.0 -30.3 -11.2 22.1 9.5 71 71 A N S S- 0 0 12 14,-0.4 2,-1.0 187,-0.2 -2,-0.1 -0.348 95.8 -92.6 -82.0 163.4 -10.8 25.8 8.8 72 72 A D + 0 0 43 1,-0.2 4,-0.4 -2,-0.1 -1,-0.1 -0.633 50.8 158.2 -80.2 99.5 -12.2 27.7 5.8 73 73 A F + 0 0 1 -2,-1.0 3,-0.2 -4,-0.2 -1,-0.2 0.688 61.6 76.1 -92.8 -22.0 -9.6 27.7 3.0 74 74 A S S S+ 0 0 73 1,-0.2 -1,-0.1 -11,-0.1 -11,-0.1 0.795 97.9 45.7 -60.6 -30.3 -12.0 28.4 0.1 75 75 A S S S+ 0 0 76 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.775 83.9 111.9 -85.5 -28.2 -12.3 32.1 1.1 76 76 A L - 0 0 24 -4,-0.4 2,-0.1 -3,-0.2 3,-0.1 -0.182 59.3-142.1 -51.2 128.4 -8.6 32.8 1.6 77 77 A P > - 0 0 77 0, 0.0 3,-1.1 0, 0.0 24,-0.2 -0.433 38.3 -68.8 -87.7 167.6 -7.2 35.2 -1.1 78 78 A D T 3 S+ 0 0 95 1,-0.2 24,-0.2 -2,-0.1 25,-0.1 -0.163 119.8 28.4 -52.1 145.8 -3.7 34.9 -2.6 79 79 A G T 3 S+ 0 0 22 22,-2.0 92,-2.1 1,-0.2 2,-0.4 0.623 96.2 114.2 77.1 12.9 -0.9 35.7 -0.2 80 80 A K E < -ML 170 101C 37 -3,-1.1 21,-2.9 21,-0.7 2,-0.3 -0.908 46.4-160.6-119.1 146.5 -2.7 34.6 3.0 81 81 A A E - L 0 100C 5 88,-2.8 2,-0.3 -2,-0.4 19,-0.2 -0.775 5.1-157.2-117.9 164.3 -2.1 31.7 5.3 82 82 A I E - L 0 99C 20 17,-1.6 17,-2.4 -2,-0.3 2,-0.3 -0.997 12.7-134.1-147.5 139.7 -4.4 30.1 7.8 83 83 A Y E + L 0 98C 41 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.709 43.4 140.0 -89.9 144.0 -3.9 28.0 11.0 84 84 A S E - L 0 97C 0 13,-2.4 13,-2.8 -2,-0.3 2,-0.3 -0.959 44.4-111.9-166.3-179.9 -5.9 24.9 11.3 85 85 A V E - L 0 96C 0 172,-0.3 -15,-2.2 -2,-0.3 2,-0.5 -0.827 19.2-141.5-121.9 162.1 -6.2 21.2 12.3 86 86 A M E -KL 69 95C 0 9,-1.9 8,-2.9 -2,-0.3 9,-1.1 -0.999 26.2-160.7-126.3 120.1 -6.6 18.2 10.1 87 87 A C E - 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