==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-AUG-04 1VLY . COMPND 2 MOLECULE: UNKNOWN PROTEIN FROM 2D-PAGE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 323 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 26.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 3 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 3 5 2 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 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 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 3 A F 0 0 57 0, 0.0 113,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.0 4.9 29.1 75.6 2 4 A T - 0 0 105 2,-0.1 19,-0.0 0, 0.0 0, 0.0 0.648 360.0 -86.3 91.6 128.2 8.3 28.7 73.6 3 5 A P - 0 0 77 0, 0.0 180,-0.1 0, 0.0 19,-0.0 -0.219 44.1-114.0 -59.7 146.4 9.4 26.8 70.4 4 6 A F - 0 0 19 178,-0.3 180,-0.2 1,-0.1 19,-0.1 -0.550 34.7-106.7 -78.0 147.4 10.5 23.2 70.7 5 7 A P - 0 0 96 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.379 41.4-100.7 -72.4 152.1 14.1 22.5 70.0 6 8 A P + 0 0 95 0, 0.0 2,-0.3 0, 0.0 176,-0.1 -0.404 36.6 177.9 -74.4 147.3 14.8 20.7 66.7 7 9 A R - 0 0 108 -2,-0.1 176,-0.3 176,-0.0 277,-0.0 -0.924 48.9 -80.8-132.0 160.1 15.6 17.0 66.3 8 10 A Q - 0 0 98 -2,-0.3 275,-0.1 1,-0.1 276,-0.1 -0.421 54.4-123.3 -64.3 129.7 16.2 15.3 62.9 9 11 A P - 0 0 4 0, 0.0 275,-3.1 0, 0.0 2,-0.3 -0.301 20.3-143.3 -73.8 164.1 12.9 14.6 61.2 10 12 A T - 0 0 7 273,-0.2 5,-0.1 274,-0.1 180,-0.0 -0.906 25.1 -95.7-125.8 148.8 11.6 11.2 60.0 11 13 A A >> - 0 0 16 -2,-0.3 3,-1.6 1,-0.1 4,-0.7 -0.307 42.9-110.7 -54.8 147.5 9.6 10.0 57.0 12 14 A S G >4 S+ 0 0 20 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.836 114.0 63.2 -55.9 -33.9 5.9 9.7 57.8 13 15 A A G 34 S+ 0 0 83 1,-0.3 -1,-0.3 107,-0.1 -2,-0.0 0.778 116.5 27.7 -64.3 -29.5 6.0 5.9 57.6 14 16 A R G <4 S+ 0 0 136 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.247 89.5 129.4-113.8 7.9 8.4 5.6 60.5 15 17 A L << - 0 0 6 -3,-0.9 106,-2.2 -4,-0.7 3,-0.1 -0.508 49.2-143.8 -72.4 118.5 7.5 8.8 62.4 16 18 A P - 0 0 46 0, 0.0 103,-0.1 0, 0.0 -6,-0.1 -0.265 48.9 -62.8 -66.2 166.7 6.7 8.1 66.1 17 19 A L S S- 0 0 25 103,-0.2 163,-2.9 104,-0.2 2,-0.4 -0.363 72.1-175.3 -48.0 128.6 4.0 10.1 67.8 18 20 A T E -Ab 119 180A 2 101,-2.7 101,-2.3 161,-0.3 2,-0.4 -0.996 26.9-161.0-142.9 135.2 5.2 13.6 67.5 19 21 A L E -Ab 118 181A 0 161,-2.8 163,-2.1 -2,-0.4 2,-0.4 -0.970 23.7-171.6-114.6 132.2 4.1 17.1 68.8 20 22 A X E -Ab 117 182A 0 97,-2.6 97,-2.4 -2,-0.4 2,-0.5 -0.959 26.6-136.7-128.7 143.5 5.5 20.1 67.0 21 23 A T E -A 116 0A 1 161,-1.5 2,-0.6 -2,-0.4 3,-0.2 -0.839 18.0-151.5 -90.4 132.0 5.6 23.8 67.3 22 24 A L > + 0 0 5 93,-2.4 3,-2.1 -2,-0.5 94,-0.1 -0.369 38.0 150.0-103.0 54.4 5.0 25.4 63.8 23 25 A D T 3 + 0 0 54 -2,-0.6 -1,-0.2 1,-0.3 93,-0.0 0.732 65.9 61.6 -62.9 -26.1 7.0 28.6 64.4 24 26 A D T 3 S+ 0 0 65 -3,-0.2 62,-2.5 62,-0.1 63,-0.5 0.476 99.8 66.1 -83.5 -2.8 8.0 28.9 60.8 25 27 A W E < S-F 85 0B 20 -3,-2.1 2,-0.3 60,-0.3 60,-0.2 -0.754 71.5-161.4-107.3 165.9 4.3 29.2 59.8 26 28 A A E -F 84 0B 0 58,-2.7 58,-2.1 -2,-0.3 2,-0.3 -0.989 10.2-127.1-151.7 153.1 2.1 32.1 60.8 27 29 A L E +FG 83 110B 3 83,-0.7 83,-2.4 -2,-0.3 2,-0.3 -0.719 20.8 176.4-107.3 147.4 -1.5 33.1 61.2 28 30 A A E -FG 82 109B 0 54,-1.9 54,-2.3 -2,-0.3 2,-0.3 -0.966 10.2-155.6-142.3 158.3 -3.6 35.9 59.9 29 31 A T E -FG 81 108B 22 79,-2.8 79,-2.2 -2,-0.3 2,-0.4 -0.955 12.5-159.6-133.4 159.0 -7.2 36.9 60.0 30 32 A I E +FG 80 107B 0 50,-2.5 50,-1.6 -2,-0.3 2,-0.3 -0.997 20.4 173.3-131.6 132.8 -10.0 38.9 58.3 31 33 A T E + G 0 106B 58 75,-2.0 75,-2.2 -2,-0.4 3,-0.2 -0.905 26.4 77.1-130.7 162.1 -13.1 39.9 60.1 32 34 A G S > S- 0 0 19 -2,-0.3 3,-1.9 73,-0.2 4,-0.2 -0.389 84.9 -69.7 122.6 164.5 -16.1 42.1 59.2 33 35 A A T 3 S+ 0 0 88 1,-0.3 3,-0.3 -2,-0.1 4,-0.3 0.789 128.4 47.9 -58.1 -33.2 -19.2 42.1 57.1 34 36 A D T 3> S+ 0 0 26 70,-2.6 4,-3.1 1,-0.2 5,-0.3 0.248 77.7 113.5 -93.6 12.9 -17.4 42.1 53.8 35 37 A S H <> S+ 0 0 1 -3,-1.9 4,-2.4 69,-0.4 5,-0.2 0.888 80.1 40.2 -53.5 -50.3 -15.0 39.3 54.7 36 38 A E H > S+ 0 0 71 -3,-0.3 4,-2.7 -4,-0.2 -1,-0.2 0.954 117.8 47.3 -67.1 -49.2 -16.3 36.7 52.3 37 39 A K H > S+ 0 0 149 -4,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.907 114.0 48.8 -55.4 -43.5 -16.8 39.1 49.4 38 40 A Y H >< S+ 0 0 15 -4,-3.1 3,-0.5 1,-0.2 4,-0.4 0.957 114.0 43.3 -66.6 -50.5 -13.4 40.6 49.9 39 41 A X H >X S+ 0 0 0 -4,-2.4 3,-1.7 -5,-0.3 4,-1.5 0.880 106.7 62.4 -62.9 -37.7 -11.5 37.3 50.1 40 42 A Q H 3< S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.851 103.8 50.4 -55.0 -34.8 -13.5 36.0 47.1 41 43 A G T << S+ 0 0 21 -4,-1.3 187,-2.0 -3,-0.5 -1,-0.3 0.521 116.1 39.9 -80.8 -5.2 -12.0 38.8 45.0 42 44 A Q T <4 S+ 0 0 16 -3,-1.7 19,-0.6 -4,-0.4 2,-0.3 0.552 105.2 57.2-123.1 -12.3 -8.4 38.1 46.0 43 45 A V B < S-H 60 0B 0 -4,-1.5 17,-0.2 2,-0.2 4,-0.1 -0.844 72.0-123.6-124.9 163.4 -7.9 34.3 46.2 44 46 A T S S+ 0 0 0 15,-2.1 177,-2.8 -2,-0.3 2,-0.2 0.637 84.6 84.9 -78.8 -18.7 -8.2 31.3 43.8 45 47 A A S S- 0 0 2 14,-0.3 2,-1.3 175,-0.2 -2,-0.2 -0.571 85.7-115.0 -85.1 152.5 -10.6 29.3 45.9 46 48 A D > + 0 0 23 -2,-0.2 3,-1.6 1,-0.2 -2,-0.1 -0.676 33.9 179.1 -85.9 94.4 -14.3 29.8 46.0 47 49 A V G > S+ 0 0 0 -2,-1.3 3,-0.8 1,-0.3 -1,-0.2 0.609 75.3 68.8 -76.4 -10.6 -14.8 31.0 49.5 48 50 A S G 3 S+ 0 0 56 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.578 103.3 47.0 -75.0 -14.1 -18.6 31.3 49.0 49 51 A Q G < S+ 0 0 146 -3,-1.6 2,-0.5 2,-0.1 -1,-0.2 -0.286 86.3 108.3-122.1 40.4 -18.6 27.5 48.8 50 52 A X < - 0 0 6 -3,-0.8 2,-0.1 -5,-0.1 24,-0.0 -0.988 59.2-146.4-114.2 121.8 -16.4 26.8 51.9 51 53 A A > - 0 0 42 -2,-0.5 3,-1.7 1,-0.1 24,-0.4 -0.342 28.2-105.1 -81.4 167.0 -18.3 25.4 54.8 52 54 A E T 3 S+ 0 0 111 1,-0.3 23,-0.1 22,-0.1 -1,-0.1 0.720 121.4 52.2 -62.1 -22.6 -17.6 26.1 58.5 53 55 A D T 3 S+ 0 0 63 21,-0.1 88,-1.1 87,-0.1 87,-0.7 0.153 97.3 88.8-103.1 20.4 -16.0 22.6 58.7 54 56 A Q < - 0 0 88 -3,-1.7 21,-0.6 86,-0.2 2,-0.3 -0.873 46.5-176.3-119.3 149.0 -13.7 22.9 55.7 55 57 A H E + I 0 74B 17 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.984 10.8 176.5-134.8 151.9 -10.1 24.1 55.1 56 58 A L E - I 0 73B 38 17,-1.6 17,-2.7 -2,-0.3 2,-0.8 -0.984 34.9-113.6-152.9 159.2 -8.2 24.4 51.8 57 59 A L E + I 0 72B 17 160,-0.4 15,-0.2 -2,-0.3 2,-0.2 -0.868 45.7 172.3 -99.7 103.1 -4.9 25.5 50.3 58 60 A A E - I 0 71B 0 13,-2.7 13,-2.5 -2,-0.8 2,-0.4 -0.556 26.7-120.4-103.1 169.6 -5.7 28.6 48.1 59 61 A A E - I 0 70B 0 160,-0.6 -15,-2.1 11,-0.2 2,-0.5 -0.926 7.3-154.4-112.4 145.3 -3.4 31.0 46.2 60 62 A H E -HI 43 69B 0 9,-2.4 8,-2.7 -2,-0.4 9,-1.1 -0.973 30.9-177.8-113.8 110.6 -3.2 34.8 46.6 61 63 A C E - I 0 67B 1 -19,-0.6 6,-0.2 -2,-0.5 2,-0.1 -0.648 25.9-122.5-110.4 160.1 -1.9 36.1 43.3 62 64 A D > - 0 0 38 4,-2.3 3,-2.0 -2,-0.2 -1,-0.1 -0.301 52.4 -82.8 -83.0-178.5 -1.0 39.4 41.7 63 65 A A T 3 S+ 0 0 80 1,-0.3 169,-0.3 2,-0.1 166,-0.3 0.710 130.9 55.2 -64.7 -19.6 -2.7 40.7 38.6 64 66 A K T 3 S- 0 0 72 2,-0.1 -1,-0.3 164,-0.1 3,-0.1 0.309 120.9-105.8 -91.8 7.4 -0.3 38.6 36.4 65 67 A G S < S+ 0 0 0 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.473 73.3 141.7 83.8 1.2 -1.3 35.4 38.2 66 68 A K - 0 0 71 142,-0.2 -4,-2.3 139,-0.1 2,-0.5 -0.620 52.9-118.5 -81.5 133.0 2.0 35.1 40.2 67 69 A X E -I 61 0B 1 140,-3.0 138,-2.8 -2,-0.3 139,-0.5 -0.568 21.0-168.8 -78.2 123.4 1.4 33.9 43.8 68 70 A W E S- 0 0 50 -8,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.905 80.4 -40.7 -61.2 -44.6 2.4 36.1 46.7 69 71 A S E -I 60 0B 0 -9,-1.1 -9,-2.4 135,-0.1 -1,-0.4 -0.941 54.4-112.2-167.2 161.0 1.8 32.9 48.7 70 72 A N E -I 59 0B 9 -2,-0.3 2,-0.3 -11,-0.2 15,-0.3 -0.606 38.9-162.6 -88.4 165.5 -0.4 30.0 49.0 71 73 A L E -I 58 0B 0 -13,-2.5 -13,-2.7 -2,-0.2 2,-0.8 -0.986 23.3-128.7-154.9 142.2 -2.5 29.9 52.2 72 74 A R E -IJ 57 83B 32 11,-2.7 11,-1.8 -2,-0.3 2,-0.3 -0.859 38.0-162.9 -99.5 108.9 -4.4 27.4 54.2 73 75 A L E +IJ 56 82B 0 -17,-2.7 -17,-1.6 -2,-0.8 2,-0.3 -0.701 19.5 159.8-100.5 142.4 -7.8 29.0 54.8 74 76 A F E -IJ 55 81B 0 7,-2.3 7,-2.8 -2,-0.3 2,-0.2 -0.976 45.4 -91.3-152.4 157.1 -10.6 28.2 57.2 75 77 A R E + J 0 80B 31 -21,-0.6 2,-0.3 -24,-0.4 5,-0.3 -0.504 43.9 174.2 -72.0 140.4 -13.6 30.1 58.6 76 78 A D E > - J 0 79B 25 3,-1.9 3,-2.2 -46,-0.2 -46,-0.2 -0.955 57.0 -36.5-152.7 120.0 -12.8 31.9 61.9 77 79 A G T 3 S- 0 0 61 -2,-0.3 4,-0.1 1,-0.3 -46,-0.1 -0.343 123.8 -26.6 57.5-137.7 -15.4 34.2 63.6 78 80 A D T 3 S+ 0 0 107 -3,-0.1 -1,-0.3 2,-0.1 -42,-0.2 0.352 140.4 23.0 -87.3 9.2 -17.4 36.1 61.0 79 81 A G E < S- J 0 76B 1 -3,-2.2 -3,-1.9 -44,-0.1 2,-0.3 -0.127 93.9 -68.1-139.2-130.1 -14.5 35.8 58.5 80 82 A F E -FJ 30 75B 0 -50,-1.6 -50,-2.5 -5,-0.3 2,-0.3 -0.947 21.1-156.4-140.0 153.7 -11.5 33.7 57.8 81 83 A A E -FJ 29 74B 0 -7,-2.8 -7,-2.3 -2,-0.3 2,-0.3 -0.917 16.8-167.9-122.3 158.2 -8.1 32.8 59.2 82 84 A W E -FJ 28 73B 0 -54,-2.3 -54,-1.9 -2,-0.3 2,-0.4 -0.997 14.3-144.3-146.7 155.3 -5.2 31.5 57.2 83 85 A I E +FJ 27 72B 7 -11,-1.8 -11,-2.7 -2,-0.3 2,-0.3 -0.945 30.8 147.5-118.9 131.9 -1.8 29.9 57.7 84 86 A E E -F 26 0B 4 -58,-2.1 -58,-2.7 -2,-0.4 2,-0.1 -0.882 55.9 -58.3-148.5 178.0 1.2 30.5 55.5 85 87 A R E >> -F 25 0B 18 114,-0.4 3,-1.7 -15,-0.3 4,-0.8 -0.438 40.5-133.6 -68.0 140.9 5.0 30.7 55.9 86 88 A R H >> S+ 0 0 102 -62,-2.5 3,-0.7 1,-0.3 4,-0.6 0.847 102.8 67.5 -59.6 -32.8 6.1 33.3 58.4 87 89 A S H 34 S+ 0 0 56 -63,-0.5 -1,-0.3 1,-0.2 113,-0.1 0.661 111.9 31.0 -64.9 -16.4 8.7 34.5 56.0 88 90 A V H <> S+ 0 0 1 -3,-1.7 4,-2.5 111,-0.1 -1,-0.2 0.462 90.5 95.3-119.3 -1.6 6.0 35.8 53.6 89 91 A R H S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.884 115.1 56.1 -65.8 -34.6 4.4 41.2 52.4 92 94 A Q H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.927 109.5 45.8 -59.3 -45.7 1.4 38.9 51.7 93 95 A L H X S+ 0 0 11 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.905 110.5 53.5 -66.6 -40.6 -0.8 41.0 54.1 94 96 A T H X S+ 0 0 83 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.942 113.1 43.7 -57.1 -45.1 0.4 44.3 52.7 95 97 A E H >< S+ 0 0 58 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.874 113.4 50.7 -71.6 -35.3 -0.6 43.1 49.2 96 98 A L H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.890 109.5 51.6 -65.1 -37.7 -3.9 41.7 50.4 97 99 A K H >< S+ 0 0 96 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.553 82.9 91.0 -79.2 -10.4 -4.7 45.0 52.2 98 100 A K T << S+ 0 0 82 -4,-0.6 3,-0.3 -3,-0.6 -1,-0.2 0.756 91.3 43.9 -57.2 -27.7 -4.1 47.2 49.1 99 101 A Y T < S+ 0 0 99 -3,-0.8 3,-0.3 -4,-0.3 -1,-0.3 0.258 94.5 81.5-101.8 9.4 -7.7 46.9 48.1 100 102 A A < + 0 0 20 -3,-1.9 5,-0.3 1,-0.2 -1,-0.2 0.179 43.9 120.6-109.5 18.0 -9.4 47.4 51.4 101 103 A V S S+ 0 0 119 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.841 98.4 10.4 -51.6 -42.5 -9.4 51.2 51.9 102 104 A F S S+ 0 0 183 -3,-0.3 -1,-0.2 2,-0.0 -2,-0.1 0.451 99.8 117.7-118.8 -1.9 -13.3 51.3 52.2 103 105 A S S S- 0 0 40 -4,-0.1 2,-2.3 1,-0.1 -3,-0.0 -0.336 74.6-112.4 -70.6 150.0 -14.2 47.6 52.5 104 106 A K S S+ 0 0 135 -72,-0.1 -70,-2.6 -2,-0.1 -69,-0.4 -0.411 81.9 101.3 -83.8 64.8 -16.0 46.4 55.6 105 107 A V - 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