==== 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 1WOS . 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 . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 74.0 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 . 106 29.4 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 . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 16.9 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 0 0 0 1 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 2 3 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 0 124 0, 0.0 22,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 159.9 19.4 11.7 14.3 2 2 A K B -a 23 0A 116 20,-3.1 22,-3.1 1,-0.0 2,-0.4 -0.459 360.0-145.8 -73.9 150.5 18.2 13.8 11.4 3 3 A R - 0 0 154 20,-0.2 22,-0.1 -2,-0.1 20,-0.0 -0.979 4.4-133.8-127.0 134.3 20.1 17.1 10.9 4 4 A T > - 0 0 8 20,-0.5 3,-2.1 -2,-0.4 4,-0.3 -0.339 35.0-105.9 -74.3 158.8 18.9 20.5 9.7 5 5 A P T 3 S+ 0 0 55 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.610 124.0 54.0 -64.6 -5.8 20.9 22.3 7.1 6 6 A L T 3> S+ 0 0 0 1,-0.1 4,-2.1 2,-0.1 3,-0.4 0.310 73.3 107.9-107.1 5.0 21.9 24.6 10.0 7 7 A F H <> S+ 0 0 31 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.918 78.8 51.3 -47.2 -53.2 23.2 21.8 12.3 8 8 A E H > S+ 0 0 90 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.870 108.1 53.6 -54.7 -39.1 26.9 22.8 11.8 9 9 A K H > S+ 0 0 30 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.918 108.5 48.9 -62.3 -45.3 25.9 26.4 12.7 10 10 A H H <>S+ 0 0 1 -4,-2.1 5,-2.1 2,-0.2 4,-0.2 0.923 112.2 46.9 -62.3 -46.3 24.3 25.3 16.0 11 11 A V H ><5S+ 0 0 73 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.926 110.7 53.1 -62.3 -43.0 27.3 23.2 17.0 12 12 A E H 3<5S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.864 104.8 54.5 -59.7 -38.6 29.7 26.0 16.1 13 13 A L T 3<5S- 0 0 57 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.491 118.8-116.3 -74.2 -2.9 27.7 28.4 18.3 14 14 A G T < 5 + 0 0 51 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.758 53.0 169.0 74.6 27.7 28.2 25.9 21.1 15 15 A A < - 0 0 13 -5,-2.1 2,-0.7 1,-0.1 14,-0.2 -0.348 40.6-115.0 -71.9 152.3 24.6 25.0 21.6 16 16 A K E -B 28 0A 129 12,-2.2 11,-3.5 -2,-0.0 12,-0.8 -0.805 37.7-139.5 -87.4 119.8 23.6 22.0 23.8 17 17 A M E +B 26 0A 52 -2,-0.7 2,-0.3 9,-0.3 7,-0.1 -0.552 23.7 179.0 -86.1 147.7 21.9 19.5 21.4 18 18 A V E -B 25 0A 56 7,-3.5 7,-3.1 -2,-0.2 2,-0.6 -0.942 32.7-105.7-140.7 159.0 18.8 17.5 22.2 19 19 A D E +B 24 0A 89 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.796 38.2 173.4 -92.0 123.5 16.7 15.0 20.3 20 20 A F E > S-B 23 0A 72 3,-2.8 3,-2.0 -2,-0.6 -2,-0.0 -0.949 71.9 -24.7-133.4 113.5 13.4 16.3 19.1 21 21 A A T 3 S- 0 0 38 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.836 126.7 -51.5 55.6 33.9 11.1 14.2 16.9 22 22 A G T 3 S+ 0 0 26 1,-0.3 -20,-3.1 -21,-0.1 2,-0.4 0.487 115.7 118.4 83.4 2.5 14.2 12.3 15.7 23 23 A W E < -aB 2 20A 39 -3,-2.0 -3,-2.8 -22,-0.2 2,-1.0 -0.844 68.5-126.4-105.9 140.3 16.0 15.6 14.9 24 24 A E E + B 0 19A 33 -22,-3.1 -20,-0.5 -2,-0.4 -5,-0.2 -0.756 48.7 170.2 -84.6 104.2 19.3 16.7 16.5 25 25 A M E - B 0 18A 0 -7,-3.1 -7,-3.5 -2,-1.0 2,-0.5 -0.829 40.0 -99.7-123.0 158.9 18.3 20.2 17.7 26 26 A P E - B 0 17A 3 0, 0.0 198,-3.1 0, 0.0 -9,-0.3 -0.620 22.8-171.3 -77.0 118.1 19.6 23.0 19.9 27 27 A L E S- 0 0 54 -11,-3.5 198,-2.5 -2,-0.5 199,-0.5 0.897 74.2 -33.0 -73.1 -41.2 18.1 23.0 23.3 28 28 A Y E - B 0 16A 55 -12,-0.8 -12,-2.2 195,-0.2 -1,-0.4 -0.960 42.9-147.9-168.2 165.3 19.7 26.4 24.0 29 29 A Y S S- 0 0 21 192,-0.3 -1,-0.1 -2,-0.3 193,-0.1 0.758 97.7 -3.4-108.5 -48.3 22.9 28.3 23.1 30 30 A T S S- 0 0 72 1,-0.3 2,-0.3 191,-0.3 3,-0.1 0.749 128.2 -38.4-108.1 -68.4 23.4 30.4 26.2 31 31 A S > - 0 0 44 1,-0.1 4,-2.0 -4,-0.0 -1,-0.3 -0.976 44.6-117.6-160.6 151.0 20.5 29.7 28.5 32 32 A I H > S+ 0 0 52 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.933 115.3 49.1 -57.7 -46.3 16.8 29.1 28.1 33 33 A F H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 109.3 50.2 -61.9 -43.9 16.0 32.2 30.2 34 34 A E H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 113.0 48.0 -63.4 -34.9 18.3 34.5 28.3 35 35 A E H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.866 110.0 50.2 -75.0 -34.7 16.8 33.3 25.0 36 36 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.910 110.1 52.5 -67.0 -40.2 13.2 33.7 26.3 37 37 A M H X S+ 0 0 82 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.900 106.2 53.5 -59.7 -43.4 14.2 37.2 27.4 38 38 A A H X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.918 109.6 47.5 -58.4 -45.7 15.5 37.9 23.9 39 39 A V H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.893 115.9 45.3 -62.6 -40.2 12.2 36.9 22.3 40 40 A R H < S+ 0 0 26 -4,-2.2 -2,-0.2 108,-0.2 -1,-0.2 0.723 127.8 24.4 -77.7 -23.3 10.3 39.0 24.8 41 41 A K H < S- 0 0 156 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.764 135.1 -15.5-112.8 -37.1 12.5 42.2 24.5 42 42 A S S < S- 0 0 6 -4,-2.6 108,-2.3 -5,-0.4 109,-0.4 0.378 104.5 -33.6-131.7 -91.1 14.3 42.2 21.2 43 43 A V - 0 0 0 105,-0.2 177,-2.4 107,-0.1 2,-0.4 -0.988 36.6-169.2-150.0 137.9 14.6 39.2 18.8 44 44 A G E -Cd 147 220B 0 103,-3.5 103,-2.5 -2,-0.3 2,-0.5 -0.996 15.7-153.5-125.4 125.1 15.0 35.5 19.1 45 45 A M E -Cd 146 221B 0 175,-2.1 177,-3.4 -2,-0.4 2,-0.4 -0.891 12.0-168.9-105.9 126.0 15.9 33.5 16.0 46 46 A F E -C 145 0B 4 99,-2.9 99,-2.7 -2,-0.5 2,-0.8 -0.915 21.8-138.1-116.4 139.6 14.8 29.8 15.8 47 47 A D E +C 144 0B 5 175,-0.5 97,-0.2 -2,-0.4 3,-0.1 -0.821 30.8 165.2 -89.8 110.7 15.8 27.1 13.3 48 48 A V > + 0 0 1 95,-2.3 3,-1.6 -2,-0.8 96,-0.2 -0.120 28.5 127.6-118.6 37.4 12.6 25.3 12.6 49 49 A S T 3 + 0 0 6 1,-0.3 92,-0.1 94,-0.1 -1,-0.1 0.438 58.3 76.4 -72.9 -0.6 13.8 23.5 9.5 50 50 A H T 3 S+ 0 0 2 -3,-0.1 -1,-0.3 93,-0.1 -2,-0.1 0.671 74.6 102.0 -82.0 -16.6 12.6 20.2 11.0 51 51 A M S < S- 0 0 13 -3,-1.6 2,-0.2 92,-0.1 61,-0.2 -0.322 74.4-124.9 -64.4 147.5 9.0 21.3 10.0 52 52 A G E -I 111 0C 0 59,-2.2 59,-2.0 87,-0.0 2,-0.4 -0.644 17.7-157.6 -97.7 155.7 7.6 19.7 6.9 53 53 A E E -I 110 0C 0 -2,-0.2 84,-2.3 57,-0.2 85,-0.7 -0.992 6.1-170.5-134.7 127.2 6.3 21.4 3.8 54 54 A F E -IJ 109 136C 0 55,-2.6 55,-2.8 -2,-0.4 2,-0.5 -0.901 11.5-146.6-116.0 145.4 3.9 19.9 1.3 55 55 A L E -IJ 108 135C 26 80,-3.0 80,-2.6 -2,-0.4 2,-0.6 -0.932 7.2-167.1-114.1 132.6 2.9 21.3 -2.1 56 56 A V E +IJ 107 134C 0 51,-2.8 51,-2.3 -2,-0.5 2,-0.4 -0.971 16.5 177.9-118.9 110.0 -0.6 20.8 -3.5 57 57 A K E +IJ 106 133C 107 76,-2.6 76,-2.3 -2,-0.6 49,-0.2 -0.951 27.1 74.2-119.8 136.6 -0.7 21.8 -7.2 58 58 A G S > S- 0 0 13 47,-2.0 3,-1.9 -2,-0.4 4,-0.2 -0.717 86.2 -71.1 146.4 163.6 -3.6 21.6 -9.6 59 59 A P T 3 S+ 0 0 81 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.758 128.3 44.4 -53.9 -30.2 -6.9 23.2 -10.6 60 60 A E T 3> S+ 0 0 78 71,-1.9 4,-2.6 1,-0.2 5,-0.2 0.030 72.4 119.5-108.5 28.3 -8.6 21.8 -7.4 61 61 A A H <> S+ 0 0 0 -3,-1.9 4,-2.4 43,-0.5 5,-0.2 0.910 78.3 49.4 -56.3 -44.8 -6.0 22.7 -4.9 62 62 A V H > S+ 0 0 28 42,-0.8 4,-2.6 -3,-0.3 -1,-0.2 0.937 112.6 45.1 -62.4 -49.1 -8.4 24.9 -3.0 63 63 A S H > S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.880 112.5 52.7 -63.2 -38.9 -11.2 22.3 -2.8 64 64 A F H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 3,-0.4 0.960 112.0 43.9 -61.9 -51.8 -8.8 19.6 -1.8 65 65 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.938 111.9 53.4 -58.6 -46.8 -7.4 21.7 1.1 66 66 A D H < S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.789 109.1 51.1 -59.9 -26.4 -10.9 22.7 2.1 67 67 A F H < S+ 0 0 62 -4,-1.4 198,-2.4 -3,-0.4 -1,-0.2 0.842 114.0 42.8 -78.3 -35.4 -11.8 19.0 2.2 68 68 A L H < S+ 0 0 0 -4,-1.8 19,-0.6 -3,-0.3 2,-0.2 0.856 109.3 58.1 -79.9 -40.0 -8.8 18.0 4.4 69 69 A I B < S-K 86 0C 0 -4,-2.8 17,-0.2 17,-0.2 4,-0.2 -0.616 70.2-136.7 -99.2 157.2 -8.8 20.8 7.0 70 70 A T S S+ 0 0 0 15,-2.0 189,-2.3 -2,-0.2 192,-0.1 0.747 81.0 80.9 -78.9 -25.6 -11.5 22.0 9.4 71 71 A N S S- 0 0 11 14,-0.4 2,-1.1 187,-0.2 -2,-0.1 -0.384 95.5 -93.2 -81.9 161.4 -11.0 25.8 8.8 72 72 A D + 0 0 33 1,-0.2 4,-0.3 -2,-0.1 3,-0.2 -0.618 53.0 156.2 -80.8 99.8 -12.4 27.7 5.9 73 73 A F > + 0 0 2 -2,-1.1 3,-0.5 -4,-0.2 -1,-0.2 0.686 60.8 77.4 -93.7 -22.8 -9.8 27.7 3.1 74 74 A S T 3 S+ 0 0 70 1,-0.2 -1,-0.2 -11,-0.1 -2,-0.1 0.685 98.6 46.4 -62.5 -16.8 -12.3 28.3 0.2 75 75 A S T 3 S+ 0 0 74 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.703 83.4 111.8 -98.7 -23.3 -12.5 31.9 1.2 76 76 A L < - 0 0 24 -3,-0.5 2,-0.2 -4,-0.3 3,-0.1 -0.202 59.6-138.5 -55.0 136.7 -8.8 32.8 1.6 77 77 A P > - 0 0 81 0, 0.0 3,-1.1 0, 0.0 24,-0.2 -0.510 38.3 -71.4 -92.4 165.6 -7.4 35.2 -1.0 78 78 A D T 3 S+ 0 0 104 1,-0.2 24,-0.2 -2,-0.2 25,-0.1 -0.200 120.2 28.1 -52.8 144.7 -3.9 34.8 -2.6 79 79 A G T 3 S+ 0 0 23 22,-2.1 92,-2.2 1,-0.3 2,-0.4 0.646 96.7 114.4 77.2 15.3 -1.1 35.6 -0.2 80 80 A K E < -ML 170 101C 52 -3,-1.1 21,-3.0 21,-0.8 2,-0.3 -0.911 46.6-160.0-120.6 146.5 -2.9 34.5 2.9 81 81 A A E - L 0 100C 4 88,-3.0 2,-0.3 -2,-0.4 19,-0.2 -0.791 5.4-155.1-118.5 164.5 -2.2 31.6 5.3 82 82 A I E - L 0 99C 17 17,-1.8 17,-2.4 -2,-0.3 2,-0.3 -1.000 11.6-135.6-145.2 141.4 -4.5 29.9 7.8 83 83 A Y E + L 0 98C 40 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.749 43.4 139.2 -92.4 142.8 -4.0 27.9 11.0 84 84 A S E - L 0 97C 0 13,-2.4 13,-2.8 -2,-0.3 2,-0.3 -0.955 45.3-111.7-165.6 180.0 -6.1 24.8 11.3 85 85 A V E - L 0 96C 0 172,-0.3 -15,-2.0 -2,-0.3 2,-0.5 -0.848 19.7-141.9-122.0 160.0 -6.3 21.1 12.3 86 86 A M E -KL 69 95C 0 9,-2.3 8,-2.8 -2,-0.3 9,-1.2 -0.999 26.2-162.1-123.5 122.8 -6.7 18.1 10.0 87 87 A C E - 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