==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-AUG-11 3TFJ . COMPND 2 MOLECULE: GCVT-LIKE AMINOMETHYLTRANSFERASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDATUS PELAGIBACTER UBIQUE; . AUTHOR D.J.SCHULLER,C.R.REISCH,M.A.MORAN,W.B.WHITMAN,W.N.LANZILOTTA . 738 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 27.1 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 . 2 0.3 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 . 60 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 2 0 2 0 2 2 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 8 2 6 6 6 6 0 4 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 2 0 2 2 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 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 0 161 0, 0.0 3,-0.1 0, 0.0 395,-0.1 0.000 360.0 360.0 360.0 145.8 34.0 -20.0 18.1 2 2 A K + 0 0 176 1,-0.1 2,-0.3 2,-0.0 390,-0.0 0.940 360.0 27.6 -68.7 -51.7 33.9 -16.4 19.7 3 3 A N S S- 0 0 82 374,-0.0 2,-0.4 394,-0.0 -1,-0.1 -0.787 77.0-142.5-111.1 153.3 31.7 -14.9 17.0 4 4 A F - 0 0 11 372,-0.4 372,-2.6 -2,-0.3 394,-0.2 -0.917 17.1-119.2-116.6 141.2 29.2 -16.6 14.9 5 5 A S E -Ab 375 398A 28 392,-2.3 394,-2.7 -2,-0.4 2,-0.5 -0.484 24.0-120.1 -76.3 152.3 28.4 -16.0 11.3 6 6 A I E - b 0 399A 5 368,-2.8 2,-0.8 392,-0.2 368,-0.4 -0.775 23.9-135.8 -86.5 130.5 25.0 -14.9 10.1 7 7 A A - 0 0 29 392,-2.4 394,-0.2 -2,-0.5 2,-0.1 -0.822 21.0-145.3 -88.8 113.0 23.4 -17.4 7.7 8 8 A K + 0 0 52 -2,-0.8 2,-0.3 392,-0.1 668,-0.1 -0.427 30.4 151.1 -78.2 155.8 21.9 -15.5 4.8 9 9 A S B > -H 12 0B 21 3,-0.5 3,-0.6 666,-0.4 666,-0.2 -0.952 60.7 -92.1-166.4 166.0 18.7 -16.6 3.1 10 10 A R T 3 S+ 0 0 40 682,-0.4 4,-0.2 -2,-0.3 609,-0.1 0.904 125.0 58.3 -53.1 -35.2 15.8 -15.1 1.2 11 11 A R T 3 S+ 0 0 17 1,-0.2 2,-1.4 2,-0.1 -1,-0.2 0.789 95.7 61.8 -68.7 -34.6 14.0 -15.0 4.5 12 12 A L B < S-H 9 0B 0 -3,-0.6 -3,-0.5 -5,-0.1 23,-0.2 -0.737 103.3-138.7 -87.8 83.0 16.7 -12.8 6.1 13 13 A R B -c 35 0A 72 21,-1.9 23,-2.7 -2,-1.4 -3,-0.1 -0.131 12.0-143.7 -60.9 135.0 15.9 -10.1 3.6 14 14 A S - 0 0 42 661,-0.3 -1,-0.1 21,-0.2 23,-0.0 -0.286 20.2-134.6 -82.3 173.9 18.7 -8.2 1.9 15 15 A T > - 0 0 18 -2,-0.1 3,-1.0 20,-0.1 4,-0.4 -0.739 27.1 -98.0-124.5 171.0 18.1 -4.5 1.1 16 16 A P T 3 S+ 0 0 18 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.634 125.9 47.5 -64.9 -14.0 18.8 -2.1 -1.8 17 17 A Y T 3> S+ 0 0 0 2,-0.1 4,-2.8 1,-0.1 3,-0.3 0.482 81.5 97.5-105.6 -4.3 21.9 -1.1 -0.0 18 18 A T H <> S+ 0 0 10 -3,-1.0 4,-2.1 1,-0.2 5,-0.2 0.893 83.9 48.6 -53.7 -52.2 23.4 -4.5 0.9 19 19 A S H 4 S+ 0 0 62 -4,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.877 114.4 47.7 -61.3 -32.2 25.8 -4.8 -2.0 20 20 A R H >> S+ 0 0 48 -3,-0.3 3,-1.3 2,-0.2 4,-0.7 0.932 111.0 47.9 -70.5 -52.2 27.1 -1.3 -1.4 21 21 A I H ><>S+ 0 0 2 -4,-2.8 5,-1.9 1,-0.3 3,-0.5 0.839 106.2 59.2 -62.9 -28.8 27.6 -1.6 2.4 22 22 A E T 3<5S+ 0 0 18 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.673 108.1 45.6 -72.7 -18.5 29.4 -5.0 1.9 23 23 A K T <45S+ 0 0 157 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.486 109.7 58.2 -93.3 -4.9 31.9 -3.1 -0.2 24 24 A Q T <<5S- 0 0 59 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.206 124.4 -88.0-109.9 12.2 32.1 -0.3 2.4 25 25 A G T 5 + 0 0 40 1,-0.2 -3,-0.2 -4,-0.1 17,-0.1 0.705 55.7 171.6 101.6 15.4 33.2 -2.3 5.3 26 26 A V < + 0 0 5 -5,-1.9 15,-0.3 15,-0.2 -1,-0.2 -0.405 3.4 177.3 -57.6 135.8 30.2 -3.7 7.2 27 27 A T + 0 0 66 13,-2.8 348,-1.5 1,-0.3 2,-0.3 0.600 58.0 23.3-115.0 -23.5 31.5 -6.1 9.8 28 28 A A E -De 40 375A 13 12,-1.5 11,-2.9 346,-0.2 12,-1.5 -0.998 60.9-156.7-149.0 149.2 28.4 -7.3 11.7 29 29 A Y E -De 38 376A 1 346,-2.6 348,-2.5 -2,-0.3 2,-0.3 -0.919 4.1-164.4-122.2 149.4 24.7 -7.6 11.2 30 30 A T E -D 37 0A 12 7,-2.8 7,-2.3 -2,-0.3 2,-0.4 -0.731 25.5-123.0-112.3 171.5 21.6 -7.8 13.3 31 31 A I E +D 36 0A 4 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.983 31.9 172.6-117.3 130.8 18.1 -8.9 12.0 32 32 A Y E > S-D 35 0A 34 3,-2.5 3,-0.6 -2,-0.4 93,-0.1 -0.991 70.7 -7.5-142.8 122.6 15.3 -6.5 12.4 33 33 A N T 3 S- 0 0 2 -2,-0.4 -1,-0.1 1,-0.2 -20,-0.1 0.915 128.2 -57.9 50.2 47.8 11.8 -7.1 10.9 34 34 A H T 3 S+ 0 0 27 1,-0.2 -21,-1.9 -22,-0.1 2,-0.3 0.864 119.0 105.5 56.4 39.5 13.1 -10.2 9.0 35 35 A M E < S-cD 13 32A 6 -3,-0.6 -3,-2.5 -23,-0.2 2,-0.3 -0.992 78.9 -99.7-150.5 145.2 15.7 -8.0 7.3 36 36 A L E - D 0 31A 1 -23,-2.7 26,-0.3 -2,-0.3 -5,-0.2 -0.522 38.0-178.3 -65.1 128.8 19.5 -7.4 7.5 37 37 A L E - D 0 30A 15 -7,-2.3 -7,-2.8 -2,-0.3 23,-0.1 -0.996 31.6-114.9-127.6 122.4 20.3 -4.3 9.5 38 38 A P E - D 0 29A 2 0, 0.0 -9,-0.3 0, 0.0 3,-0.1 -0.330 30.7-179.7 -59.1 138.8 24.0 -3.3 9.8 39 39 A A E + 0 0 27 -11,-2.9 2,-0.3 1,-0.4 197,-0.2 0.583 62.2 9.5-110.2 -21.2 25.3 -3.5 13.4 40 40 A A E - D 0 28A 13 -12,-1.5 -13,-2.8 192,-0.1 -12,-1.5 -0.979 34.9-166.5-161.8 146.7 28.9 -2.5 13.0 41 41 A F S S- 0 0 27 1,-0.4 -15,-0.2 -2,-0.3 2,-0.1 -0.740 81.0 -66.4-124.2 75.4 31.4 -1.1 10.6 42 42 A G S S+ 0 0 35 -2,-0.2 -1,-0.4 -17,-0.1 -15,-0.1 -0.453 114.6 27.7 66.4-152.8 34.4 -2.0 12.7 43 43 A S > - 0 0 55 1,-0.1 4,-2.1 -2,-0.1 -2,-0.1 -0.143 60.4-151.5 -47.7 127.8 34.9 -0.3 16.1 44 44 A I H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.880 98.2 52.7 -67.3 -38.8 31.6 0.9 17.8 45 45 A E H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 109.5 48.5 -66.8 -36.7 33.6 3.7 19.6 46 46 A D H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 111.4 49.5 -66.2 -41.6 35.1 4.9 16.3 47 47 A S H X S+ 0 0 18 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.884 110.5 52.0 -60.8 -40.7 31.7 4.9 14.7 48 48 A Y H X S+ 0 0 24 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.927 110.5 46.0 -61.8 -49.8 30.3 6.9 17.6 49 49 A K H X S+ 0 0 137 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.924 113.8 49.6 -64.4 -40.6 33.0 9.6 17.4 50 50 A H H >X S+ 0 0 35 -4,-2.4 4,-2.8 1,-0.2 3,-0.7 0.927 109.9 51.2 -63.3 -42.6 32.6 9.8 13.7 51 51 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 110.3 48.9 -60.5 -42.6 28.7 10.1 14.0 52 52 A K H 3< S+ 0 0 75 -4,-2.0 -1,-0.2 105,-0.2 -2,-0.2 0.663 123.3 30.5 -78.2 -12.2 29.0 12.9 16.5 53 53 A E H << S+ 0 0 97 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.2 0.642 125.9 13.1-116.2 -20.1 31.5 15.0 14.5 54 54 A H S < S- 0 0 30 -4,-2.8 105,-2.5 -5,-0.2 106,-0.4 0.086 87.7 -78.5-126.7-123.5 30.8 14.3 10.7 55 55 A V - 0 0 0 173,-0.4 175,-1.3 172,-0.3 2,-0.3 -0.986 32.4-164.6-157.0 139.1 28.0 12.7 8.7 56 56 A Q E -Ij 156 230C 3 100,-2.5 100,-2.4 -2,-0.3 2,-0.5 -0.961 15.1-142.0-127.4 150.0 27.0 9.1 8.0 57 57 A I E -Ij 155 231C 1 173,-1.9 175,-1.7 -2,-0.3 2,-0.4 -0.945 28.0-163.9-107.9 126.7 24.8 7.4 5.5 58 58 A W E -Ij 154 232C 0 96,-3.0 96,-2.5 -2,-0.5 2,-1.0 -0.946 24.3-138.6-119.8 135.6 22.9 4.4 6.9 59 59 A D E +I 153 0C 1 173,-0.6 94,-0.2 -2,-0.4 3,-0.1 -0.831 37.9 155.4 -80.5 105.9 21.0 1.5 5.5 60 60 A V > + 0 0 0 92,-1.7 3,-2.4 -2,-1.0 92,-0.4 -0.157 20.5 133.0-121.8 37.1 18.0 1.4 7.8 61 61 A A T 3 + 0 0 0 1,-0.3 91,-0.2 90,-0.2 89,-0.1 0.788 59.9 75.0 -56.2 -29.6 15.7 -0.4 5.3 62 62 A A T 3 + 0 0 0 -26,-0.3 2,-1.9 1,-0.2 -1,-0.3 0.627 68.8 90.9 -61.9 -14.1 14.7 -2.7 8.1 63 63 A E S < S- 0 0 25 -3,-2.4 89,-0.4 89,-0.1 -1,-0.2 -0.645 78.2-165.8 -75.4 77.7 12.6 0.1 9.5 64 64 A R - 0 0 14 -2,-1.9 59,-2.3 59,-0.3 2,-0.4 -0.208 12.4-125.6 -70.7 156.9 9.7 -1.2 7.4 65 65 A Q E -N 122 0D 1 83,-0.3 2,-0.6 85,-0.3 57,-0.2 -0.895 8.4-156.4-100.7 143.4 6.5 0.6 6.7 66 66 A V E -N 121 0D 1 55,-1.9 55,-2.5 -2,-0.4 2,-0.6 -0.991 19.6-156.6-108.0 116.1 3.0 -0.5 7.4 67 67 A E E -NO 120 146D 23 79,-2.9 79,-2.1 -2,-0.6 2,-0.5 -0.864 11.7-175.8 -95.4 123.7 0.8 1.5 5.0 68 68 A I E +NO 119 145D 0 51,-2.2 51,-2.2 -2,-0.6 2,-0.3 -0.981 13.3 166.8-121.3 117.0 -2.8 1.8 6.0 69 69 A S E +NO 118 144D 22 75,-2.2 75,-2.3 -2,-0.5 49,-0.2 -0.855 24.8 52.1-129.1 161.8 -5.0 3.6 3.5 70 70 A G S > S- 0 0 25 47,-2.0 3,-1.6 -2,-0.3 4,-0.4 -0.456 93.7 -37.9 106.9-178.3 -8.8 4.1 2.9 71 71 A K T 3 S+ 0 0 132 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.858 134.8 33.5 -47.6 -52.5 -11.9 5.2 4.8 72 72 A D T 3> S+ 0 0 34 70,-2.9 4,-2.3 -3,-0.2 -1,-0.3 0.354 87.2 106.5 -96.5 19.1 -11.2 3.7 8.2 73 73 A S H <> S+ 0 0 0 -3,-1.6 4,-2.4 69,-0.3 5,-0.2 0.873 79.2 47.9 -69.1 -43.2 -7.4 4.2 8.0 74 74 A A H > S+ 0 0 38 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.923 113.3 48.4 -59.3 -43.5 -7.1 7.1 10.5 75 75 A E H > S+ 0 0 91 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.890 111.0 50.3 -65.4 -43.7 -9.4 5.3 13.0 76 76 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.909 111.3 48.4 -60.6 -45.5 -7.3 2.0 12.8 77 77 A V H X S+ 0 0 3 -4,-2.4 4,-0.6 -5,-0.2 3,-0.4 0.955 113.7 47.1 -58.6 -43.6 -4.1 3.9 13.3 78 78 A Q H >< S+ 0 0 21 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.895 105.6 60.2 -66.4 -37.3 -5.6 5.6 16.3 79 79 A L H 3< S+ 0 0 5 -4,-2.4 196,-2.4 1,-0.3 -1,-0.2 0.867 104.8 50.1 -58.5 -37.6 -7.0 2.3 17.6 80 80 A M H 3< S+ 0 0 1 -4,-1.6 19,-2.0 -3,-0.4 2,-0.4 0.640 107.1 58.4 -79.2 -15.0 -3.5 0.9 17.9 81 81 A T B << -R 98 0E 2 -3,-1.2 17,-0.2 -4,-0.6 4,-0.1 -0.935 60.8-148.7-124.7 145.9 -1.8 3.8 19.8 82 82 A C S S+ 0 0 0 15,-1.2 185,-3.1 -2,-0.4 2,-0.4 0.541 74.8 102.9 -81.7 -7.8 -2.4 5.5 23.1 83 83 A R S S- 0 0 64 14,-0.5 2,-0.6 183,-0.2 -2,-0.2 -0.643 80.7-119.6 -79.9 132.6 -1.0 8.7 21.6 84 84 A D + 0 0 45 -2,-0.4 3,-0.2 1,-0.2 -2,-0.1 -0.626 37.7 168.7 -76.6 112.0 -3.8 11.3 20.7 85 85 A L > + 0 0 11 -2,-0.6 3,-1.4 -4,-0.1 -1,-0.2 -0.012 42.8 111.8-107.5 15.0 -3.6 11.9 16.9 86 86 A S T 3 S+ 0 0 66 1,-0.3 -1,-0.1 -8,-0.1 -2,-0.0 0.838 85.8 39.3 -63.8 -31.2 -6.9 13.8 16.7 87 87 A K T 3 S+ 0 0 179 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.108 88.2 140.8-102.3 21.1 -5.1 17.0 15.8 88 88 A S < - 0 0 8 -3,-1.4 2,-0.4 1,-0.1 -3,-0.1 -0.230 37.7-148.1 -66.0 143.9 -2.5 15.4 13.6 89 89 A K > - 0 0 153 4,-0.0 3,-1.4 26,-0.0 24,-0.4 -0.911 20.1-103.5-121.0 145.0 -1.4 17.2 10.4 90 90 A I T 3 S+ 0 0 82 -2,-0.4 24,-0.2 1,-0.2 3,-0.1 -0.403 108.8 34.0 -55.3 133.8 -0.3 16.0 6.9 91 91 A G T 3 S+ 0 0 16 22,-1.9 89,-2.4 1,-0.3 2,-0.3 0.508 100.0 104.8 91.6 7.6 3.5 16.4 6.6 92 92 A R B < -T 179 0F 80 -3,-1.4 21,-2.1 21,-0.4 -1,-0.3 -0.876 56.7-145.0-124.8 152.5 4.2 15.6 10.3 93 93 A C E -P 112 0D 4 85,-2.5 2,-0.4 -2,-0.3 19,-0.2 -0.897 13.1-163.3-112.4 150.6 5.6 12.5 12.1 94 94 A Y E -P 111 0D 33 17,-2.4 17,-2.9 -2,-0.3 2,-0.6 -0.995 21.8-130.2-141.4 125.1 4.5 11.3 15.5 95 95 A Y E -P 110 0D 41 -2,-0.4 15,-0.2 15,-0.2 -2,-0.0 -0.678 38.0-178.8 -74.6 116.6 6.1 8.9 18.0 96 96 A C - 0 0 0 13,-2.5 2,-0.1 -2,-0.6 170,-0.1 -0.904 23.2-142.9-129.8 95.1 3.2 6.6 18.8 97 97 A P - 0 0 0 0, 0.0 -15,-1.2 0, 0.0 2,-0.5 -0.414 18.9-144.5 -53.1 131.4 3.4 3.6 21.3 98 98 A I E -RS 81 107E 4 9,-2.7 8,-3.1 -17,-0.2 9,-1.1 -0.853 23.0-173.0-101.6 129.4 1.3 0.7 19.9 99 99 A I E - 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