==== 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 3TFI . 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) . 30109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 68.6 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 . 58 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 16.7 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 0 160 0, 0.0 395,-0.1 0, 0.0 394,-0.1 0.000 360.0 360.0 360.0 147.6 34.1 -20.1 18.2 2 2 A K + 0 0 179 1,-0.1 2,-0.3 2,-0.0 390,-0.0 0.929 360.0 26.7 -72.2 -50.4 34.0 -16.6 19.8 3 3 A N S S- 0 0 84 374,-0.0 2,-0.4 394,-0.0 -1,-0.1 -0.791 76.4-142.5-115.7 153.7 31.8 -15.0 17.1 4 4 A F - 0 0 11 372,-0.4 372,-2.7 -2,-0.3 394,-0.2 -0.938 16.5-120.2-117.0 140.1 29.3 -16.6 14.9 5 5 A S E -Ab 375 398A 27 392,-2.2 394,-2.6 -2,-0.4 2,-0.5 -0.463 24.2-118.7 -78.3 153.6 28.5 -15.9 11.3 6 6 A I E - b 0 399A 6 368,-2.7 2,-0.8 392,-0.2 368,-0.4 -0.781 24.3-134.8 -86.8 130.9 25.1 -14.9 10.2 7 7 A A - 0 0 30 392,-2.4 394,-0.2 -2,-0.5 5,-0.1 -0.806 21.3-145.5 -89.5 111.5 23.5 -17.4 7.7 8 8 A K + 0 0 51 -2,-0.8 2,-0.3 392,-0.1 668,-0.1 -0.404 30.6 149.9 -74.9 153.7 22.0 -15.5 4.8 9 9 A S B > -H 12 0B 22 3,-0.5 3,-0.5 666,-0.4 666,-0.2 -0.945 61.4 -92.2-165.5 166.5 18.8 -16.6 3.1 10 10 A R T 3 S+ 0 0 41 682,-0.4 4,-0.2 -2,-0.3 609,-0.1 0.892 124.8 58.5 -52.7 -36.2 15.9 -15.1 1.2 11 11 A R T 3 S+ 0 0 17 1,-0.2 2,-1.5 2,-0.1 -1,-0.2 0.814 95.8 61.2 -65.5 -36.5 14.1 -15.0 4.5 12 12 A L B < S-H 9 0B 0 -3,-0.5 -3,-0.5 -5,-0.1 23,-0.2 -0.708 104.0-137.4 -88.3 83.3 16.7 -12.9 6.1 13 13 A R B -c 35 0A 72 21,-1.8 23,-2.9 -2,-1.5 -3,-0.1 -0.110 12.6-144.1 -61.5 135.0 16.0 -10.2 3.6 14 14 A S - 0 0 41 661,-0.3 -1,-0.1 21,-0.2 23,-0.0 -0.296 19.8-134.9 -81.0 173.0 18.7 -8.2 1.9 15 15 A T > - 0 0 17 -2,-0.1 3,-1.1 20,-0.1 4,-0.4 -0.751 26.4 -99.3-123.6 170.2 18.2 -4.6 1.1 16 16 A P T 3 S+ 0 0 18 0, 0.0 4,-0.2 0, 0.0 -2,-0.0 0.625 125.2 47.8 -65.1 -13.5 18.8 -2.3 -1.9 17 17 A Y T 3> S+ 0 0 1 2,-0.1 4,-2.7 1,-0.1 3,-0.3 0.449 81.9 97.6-105.1 -6.3 22.0 -1.1 -0.1 18 18 A T H <> S+ 0 0 11 -3,-1.1 4,-2.2 1,-0.2 5,-0.2 0.914 84.1 48.4 -53.7 -48.8 23.4 -4.6 0.9 19 19 A S H 4 S+ 0 0 63 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.878 114.4 47.8 -63.0 -33.9 25.8 -4.8 -2.0 20 20 A R H >> S+ 0 0 45 -3,-0.3 3,-1.4 2,-0.2 4,-0.7 0.933 111.2 47.4 -68.6 -52.8 27.1 -1.3 -1.4 21 21 A I H 3<>S+ 0 0 2 -4,-2.7 5,-1.9 1,-0.3 3,-0.5 0.821 105.9 59.9 -63.5 -29.4 27.6 -1.6 2.4 22 22 A E T 3<5S+ 0 0 20 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.610 107.9 45.7 -74.6 -15.6 29.4 -4.9 1.9 23 23 A K T <45S+ 0 0 158 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.478 109.4 58.3 -92.4 -6.0 32.0 -3.1 -0.2 24 24 A Q T <5S- 0 0 56 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.168 124.4 -87.9-107.5 9.9 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 0.694 55.9 171.4 102.4 15.1 33.2 -2.3 5.4 26 26 A V < + 0 0 6 -5,-1.9 15,-0.3 15,-0.2 -1,-0.2 -0.396 3.0 176.6 -59.1 137.0 30.2 -3.7 7.2 27 27 A T + 0 0 68 13,-2.8 348,-1.6 1,-0.3 2,-0.3 0.633 58.2 24.3-116.0 -24.5 31.6 -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 -0.996 60.9-157.0-148.4 148.2 28.5 -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 -0.932 3.6-165.6-120.9 148.9 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 -0.719 25.4-121.8-112.0 172.3 21.6 -7.8 13.2 31 31 A I E +D 36 0A 5 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 31.9 171.9-115.8 135.1 18.2 -8.9 12.1 32 32 A Y E > S-D 35 0A 39 3,-2.5 3,-0.6 -2,-0.4 93,-0.1 -0.993 71.2 -7.4-145.6 122.8 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 0.925 127.8 -58.4 49.1 47.3 11.9 -7.1 10.9 34 34 A H T 3 S+ 0 0 26 1,-0.2 -21,-1.8 -22,-0.1 2,-0.3 0.856 119.0 105.8 56.8 38.3 13.2 -10.2 9.1 35 35 A M E < S-cD 13 32A 6 -3,-0.6 -3,-2.5 -23,-0.2 2,-0.2 -0.993 78.8 -99.8-149.4 145.2 15.8 -8.0 7.3 36 36 A L E - D 0 31A 1 -23,-2.9 26,-0.3 -2,-0.3 -5,-0.2 -0.514 37.9-177.6 -66.2 130.5 19.5 -7.4 7.5 37 37 A L E - D 0 30A 16 -7,-2.3 -7,-2.8 -2,-0.2 23,-0.1 -0.996 31.2-115.3-129.4 121.1 20.4 -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 -0.349 30.2-179.1 -58.8 138.9 24.1 -3.3 9.8 39 39 A A E + 0 0 25 -11,-2.9 2,-0.3 1,-0.4 197,-0.2 0.574 62.6 8.5-108.7 -25.9 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 -0.973 35.2-164.7-158.2 149.4 28.9 -2.4 13.0 41 41 A F S S- 0 0 29 1,-0.4 -15,-0.2 -2,-0.3 2,-0.1 -0.731 81.3 -67.5-123.0 74.7 31.5 -1.0 10.6 42 42 A G S S+ 0 0 35 -2,-0.2 -1,-0.4 -17,-0.1 -15,-0.1 -0.469 115.0 29.3 62.7-150.7 34.4 -2.0 12.8 43 43 A S > - 0 0 56 1,-0.1 4,-2.0 -2,-0.1 5,-0.1 -0.128 60.3-152.5 -47.2 125.2 34.9 -0.2 16.2 44 44 A I H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.857 97.8 53.3 -65.2 -36.9 31.6 1.0 17.8 45 45 A E H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 109.1 48.6 -67.3 -38.0 33.6 3.8 19.6 46 46 A D H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.920 111.4 49.8 -66.1 -40.5 35.1 5.0 16.3 47 47 A S H X S+ 0 0 17 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.859 110.4 51.1 -65.5 -37.8 31.7 5.0 14.7 48 48 A Y H X S+ 0 0 13 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.927 110.0 47.6 -65.0 -45.4 30.2 7.0 17.6 49 49 A K H X S+ 0 0 133 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.930 113.4 49.0 -64.7 -40.3 32.9 9.7 17.4 50 50 A H H >X S+ 0 0 35 -4,-2.4 4,-2.9 1,-0.2 3,-0.7 0.914 109.8 51.9 -63.0 -42.4 32.5 10.0 13.7 51 51 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 109.8 48.6 -60.0 -43.2 28.7 10.2 14.0 52 52 A K H 3< S+ 0 0 87 -4,-1.9 -1,-0.2 105,-0.2 -2,-0.2 0.669 123.1 30.9 -76.8 -14.0 28.9 13.0 16.5 53 53 A E H << S+ 0 0 94 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.2 0.639 126.2 12.2-114.0 -24.6 31.4 15.1 14.5 54 54 A H S < S- 0 0 29 -4,-2.9 105,-2.6 -5,-0.2 106,-0.4 0.132 87.7 -77.1-125.4-124.3 30.7 14.4 10.8 55 55 A V - 0 0 0 173,-0.5 175,-1.4 172,-0.3 2,-0.3 -0.980 32.2-165.2-156.2 137.8 27.9 12.7 8.7 56 56 A Q E -Ij 156 230C 2 100,-2.6 100,-2.4 -2,-0.3 2,-0.5 -0.953 15.3-141.6-126.1 149.6 27.0 9.1 8.0 57 57 A I E -Ij 155 231C 1 173,-1.9 175,-1.6 -2,-0.3 2,-0.4 -0.957 27.4-162.5-107.5 126.0 24.7 7.4 5.5 58 58 A W E -Ij 154 232C 1 96,-3.0 96,-2.5 -2,-0.5 2,-1.0 -0.940 23.1-139.8-117.9 132.5 22.8 4.4 7.0 59 59 A D E +I 153 0C 2 173,-0.6 94,-0.2 -2,-0.4 3,-0.1 -0.817 38.3 154.9 -77.1 104.2 21.0 1.5 5.5 60 60 A V > + 0 0 8 92,-1.7 3,-2.3 -2,-1.0 92,-0.4 -0.182 19.5 133.1-120.7 36.6 18.0 1.3 7.8 61 61 A A T 3 + 0 0 0 1,-0.3 91,-0.2 90,-0.2 89,-0.1 0.810 60.8 74.6 -55.5 -27.4 15.7 -0.4 5.2 62 62 A A T 3 + 0 0 0 -26,-0.3 2,-1.9 1,-0.2 -1,-0.3 0.618 69.0 91.6 -65.0 -11.5 14.7 -2.8 8.0 63 63 A E S < S- 0 0 36 -3,-2.3 89,-0.4 89,-0.2 -1,-0.2 -0.639 77.4-166.3 -78.2 77.9 12.6 0.1 9.5 64 64 A R - 0 0 14 -2,-1.9 59,-2.4 59,-0.2 2,-0.4 -0.228 12.4-126.6 -71.8 155.9 9.7 -1.3 7.4 65 65 A Q E -N 122 0D 0 83,-0.3 2,-0.5 85,-0.3 57,-0.2 -0.872 7.6-155.4-101.1 144.1 6.5 0.6 6.8 66 66 A V E -N 121 0D 1 55,-2.0 55,-2.6 -2,-0.4 2,-0.6 -0.993 19.3-157.3-107.9 116.6 3.0 -0.6 7.4 67 67 A E E -NO 120 146D 23 79,-2.9 79,-2.1 -2,-0.5 2,-0.5 -0.885 12.1-177.4 -96.0 124.2 0.8 1.4 5.0 68 68 A I E +NO 119 145D 0 51,-2.1 51,-2.3 -2,-0.6 2,-0.3 -0.984 12.6 167.3-122.7 120.5 -2.8 1.7 6.0 69 69 A S E +NO 118 144D 22 75,-2.3 75,-2.0 -2,-0.5 49,-0.2 -0.853 24.2 55.9-129.8 165.5 -5.1 3.5 3.5 70 70 A G S > S- 0 0 24 47,-2.2 3,-1.6 -2,-0.3 4,-0.4 -0.470 92.9 -42.0 104.0-177.9 -8.8 4.0 3.0 71 71 A K T 3 S+ 0 0 158 1,-0.3 3,-0.3 -2,-0.1 4,-0.2 0.874 134.5 35.8 -60.9 -39.9 -11.9 5.2 4.8 72 72 A D T 3> S+ 0 0 48 70,-2.6 4,-2.4 -3,-0.2 -1,-0.3 0.333 87.2 105.5 -97.0 21.4 -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 0.888 79.4 47.9 -72.2 -42.8 -7.4 4.1 8.1 74 74 A A H > S+ 0 0 37 -4,-0.4 4,-2.4 42,-0.4 -1,-0.3 0.915 113.5 48.4 -59.5 -46.4 -7.2 7.0 10.6 75 75 A E H > S+ 0 0 91 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 111.7 49.4 -62.2 -42.8 -9.4 5.2 13.1 76 76 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.927 111.8 48.3 -61.7 -47.2 -7.4 1.9 12.8 77 77 A V H X S+ 0 0 3 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.948 113.8 47.2 -55.4 -45.1 -4.1 3.8 13.3 78 78 A Q H >< S+ 0 0 20 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.901 106.0 59.5 -66.7 -38.3 -5.7 5.6 16.3 79 79 A L H 3< S+ 0 0 5 -4,-2.3 196,-2.3 1,-0.2 -1,-0.2 0.874 104.8 50.5 -58.6 -35.6 -7.0 2.3 17.7 80 80 A M H 3< S+ 0 0 2 -4,-1.7 19,-2.0 -3,-0.3 2,-0.4 0.646 107.5 58.9 -80.5 -16.2 -3.5 0.8 17.9 81 81 A T B << -R 98 0E 1 -3,-1.1 17,-0.2 -4,-0.7 4,-0.1 -0.928 60.6-150.0-124.1 143.0 -1.9 3.7 19.8 82 82 A C S S+ 0 0 0 15,-1.2 185,-2.9 -2,-0.4 2,-0.4 0.556 74.5 102.3 -80.7 -6.0 -2.4 5.4 23.1 83 83 A R S S- 0 0 64 14,-0.5 2,-0.6 183,-0.2 -2,-0.2 -0.615 80.9-118.7 -83.4 132.4 -1.1 8.7 21.6 84 84 A D + 0 0 24 -2,-0.4 3,-0.2 1,-0.1 -2,-0.1 -0.604 37.9 168.3 -74.2 110.0 -3.9 11.2 20.6 85 85 A L > + 0 0 10 -2,-0.6 3,-1.5 1,-0.1 -1,-0.1 0.071 43.1 110.5-106.3 12.9 -3.7 11.8 16.9 86 86 A S T 3 S+ 0 0 73 1,-0.3 -1,-0.1 -8,-0.1 -2,-0.0 0.839 86.0 39.9 -59.4 -33.5 -7.0 13.8 16.6 87 87 A K T 3 S+ 0 0 157 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.081 89.5 139.9-101.9 20.1 -5.1 17.0 15.9 88 88 A S < - 0 0 7 -3,-1.5 2,-0.4 1,-0.1 -3,-0.1 -0.212 37.9-148.7 -64.9 149.3 -2.6 15.3 13.6 89 89 A K > - 0 0 148 4,-0.0 3,-1.4 26,-0.0 24,-0.4 -0.930 20.1-102.5-129.4 143.2 -1.5 17.1 10.4 90 90 A I T 3 S+ 0 0 81 -2,-0.4 24,-0.2 1,-0.2 3,-0.1 -0.397 108.2 31.2 -57.9 137.6 -0.4 16.0 7.0 91 91 A G T 3 S+ 0 0 16 22,-2.0 89,-2.4 1,-0.3 2,-0.3 0.555 99.9 104.5 83.3 11.0 3.4 16.3 6.6 92 92 A R B < -T 179 0F 81 -3,-1.4 21,-2.1 21,-0.4 -1,-0.3 -0.878 57.7-144.2-123.7 151.8 4.1 15.5 10.3 93 93 A C E -P 112 0D 3 85,-2.6 2,-0.4 -2,-0.3 19,-0.2 -0.874 13.4-162.1-110.6 149.9 5.5 12.5 12.0 94 94 A Y E -P 111 0D 34 17,-2.5 17,-2.8 -2,-0.3 2,-0.6 -0.990 21.9-128.7-139.8 126.1 4.4 11.3 15.5 95 95 A Y E -P 110 0D 37 -2,-0.4 15,-0.2 15,-0.2 -2,-0.0 -0.662 38.6-179.0 -71.8 117.3 6.0 8.9 18.0 96 96 A C - 0 0 0 13,-2.7 2,-0.1 -2,-0.6 170,-0.1 -0.874 22.2-144.2-130.8 92.6 3.1 6.5 18.8 97 97 A P - 0 0 0 0, 0.0 -15,-1.2 0, 0.0 2,-0.5 -0.364 17.7-143.4 -52.9 131.8 3.3 3.6 21.2 98 98 A I E -RS 81 107E 4 9,-2.7 8,-3.1 -17,-0.2 9,-1.1 -0.866 23.1-173.5-101.1 131.2 1.3 0.6 20.0 99 99 A I E - 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