==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-03 1RU1 . COMPND 2 MOLECULE: 2-AMINO-4-HYDROXY-6- . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.BLASZCZYK,X.JI . 295 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 24.4 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 2 0 2 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 0 2 2 0 2 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 . 2 0 0 0 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 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 T 0 0 67 0, 0.0 56,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 147.9 -1.6 15.9 5.9 2 2 A V E -A 56 0A 44 54,-0.2 87,-2.6 56,-0.1 2,-0.4 -0.808 360.0-172.6 -97.6 116.9 -2.1 12.5 4.3 3 3 A A E -AB 55 88A 0 52,-2.8 52,-2.9 -2,-0.7 2,-0.6 -0.850 13.1-147.5 -99.7 138.1 -0.3 9.7 6.1 4 4 A Y E -AB 54 87A 40 83,-2.4 82,-2.5 -2,-0.4 83,-1.4 -0.958 17.1-169.0-109.1 120.7 -0.2 6.3 4.6 5 5 A I E -AB 53 85A 0 48,-2.8 48,-2.4 -2,-0.6 2,-0.4 -0.915 11.9-145.0-113.7 134.7 -0.2 3.5 7.2 6 6 A A E -AB 52 84A 7 78,-3.1 78,-2.2 -2,-0.4 2,-0.4 -0.821 11.4-156.3 -93.2 136.0 0.5 -0.2 6.5 7 7 A I E +AB 51 83A 1 44,-2.8 44,-1.8 -2,-0.4 2,-0.4 -0.953 12.8 179.0-111.6 133.8 -1.4 -2.8 8.5 8 8 A G E +AB 50 82A 6 74,-2.2 74,-2.9 -2,-0.4 2,-0.4 -1.000 4.8 169.3-135.5 129.3 -0.0 -6.3 9.0 9 9 A S E -A 49 0A 0 40,-2.1 40,-2.8 -2,-0.4 72,-0.1 -0.991 14.5-176.1-141.8 133.1 -1.6 -9.2 11.0 10 10 A N + 0 0 14 -2,-0.4 71,-0.1 70,-0.2 -1,-0.1 0.190 39.5 128.5-118.4 17.7 -0.5 -12.7 11.0 11 11 A L S S- 0 0 18 1,-0.1 -2,-0.1 38,-0.1 4,-0.0 -0.345 70.9-116.5 -60.2 152.6 -3.2 -14.3 13.2 12 12 A A S S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 35,-0.1 0.855 115.5 26.4 -58.8 -36.4 -4.9 -17.3 11.7 13 13 A S S S+ 0 0 107 1,-0.1 3,-0.4 2,-0.0 4,-0.3 -0.768 77.5 159.6-129.4 82.1 -8.2 -15.3 11.8 14 14 A P > + 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.459 43.6 95.4 -85.5 -6.9 -7.1 -11.7 11.6 15 15 A L H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 87.7 45.1 -60.2 -41.5 -10.2 -10.0 10.3 16 16 A E H > S+ 0 0 169 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.902 113.8 49.5 -71.1 -37.5 -11.5 -9.0 13.8 17 17 A Q H > S+ 0 0 20 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.926 113.5 46.3 -63.0 -45.2 -8.1 -7.7 14.9 18 18 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.933 112.8 49.3 -64.1 -41.9 -7.7 -5.7 11.7 19 19 A N H X S+ 0 0 92 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.916 111.5 49.8 -66.2 -38.0 -11.2 -4.3 11.9 20 20 A A H X S+ 0 0 34 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.917 112.8 47.6 -62.0 -41.5 -10.5 -3.3 15.6 21 21 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.896 111.0 50.4 -66.3 -41.7 -7.3 -1.7 14.5 22 22 A L H X S+ 0 0 18 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.915 109.9 50.1 -63.7 -43.0 -9.0 0.2 11.7 23 23 A K H X S+ 0 0 145 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.933 110.8 50.4 -61.1 -42.7 -11.7 1.5 13.9 24 24 A A H >< S+ 0 0 11 -4,-2.0 3,-1.1 1,-0.2 4,-0.5 0.917 106.9 53.1 -61.7 -43.6 -9.1 2.7 16.4 25 25 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.923 107.2 53.2 -59.0 -40.1 -7.2 4.5 13.7 26 26 A G H 3< S+ 0 0 30 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.625 104.3 56.7 -69.2 -14.0 -10.4 6.3 12.8 27 27 A D T << S+ 0 0 112 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.457 76.3 119.1 -95.6 -2.2 -10.8 7.3 16.4 28 28 A I S X S- 0 0 3 -3,-1.4 3,-0.8 -4,-0.5 36,-0.0 -0.438 72.0-111.2 -62.7 134.2 -7.4 9.1 16.5 29 29 A P T 3 S+ 0 0 67 0, 0.0 30,-0.2 0, 0.0 29,-0.2 -0.224 95.8 18.4 -70.5 160.3 -8.1 12.8 17.2 30 30 A E T 3 S+ 0 0 113 1,-0.2 28,-2.6 27,-0.1 29,-0.4 0.771 117.9 86.7 51.4 32.8 -7.4 15.5 14.7 31 31 A S E < -C 57 0A 18 -3,-0.8 2,-0.3 26,-0.2 26,-0.2 -0.970 51.0-177.8-150.7 158.7 -7.5 12.7 12.1 32 32 A H E -C 56 0A 103 24,-2.2 24,-2.5 -2,-0.3 2,-0.3 -0.973 34.0-103.0-158.3 153.1 -9.8 10.7 9.9 33 33 A I E -C 55 0A 52 -2,-0.3 22,-0.3 22,-0.2 3,-0.1 -0.633 26.5-176.7 -78.6 135.1 -9.6 7.8 7.5 34 34 A L E - 0 0 85 20,-3.2 2,-0.3 1,-0.4 21,-0.2 0.832 66.1 -15.0 -93.3 -48.8 -9.8 8.8 3.8 35 35 A T E -C 54 0A 61 19,-1.2 19,-2.9 2,-0.0 -1,-0.4 -0.978 52.1-147.9-160.7 150.3 -9.6 5.3 2.2 36 36 A V E -C 53 0A 54 -2,-0.3 17,-0.2 17,-0.2 3,-0.1 -0.988 21.2-133.2-122.0 133.9 -8.8 1.7 3.0 37 37 A S - 0 0 5 15,-2.9 78,-0.1 -2,-0.4 3,-0.0 -0.198 36.9 -85.0 -73.1 170.1 -7.3 -0.7 0.5 38 38 A S - 0 0 36 76,-0.1 2,-0.5 1,-0.1 14,-0.4 -0.335 49.5-101.7 -64.5 165.3 -8.5 -4.2 0.0 39 39 A F - 0 0 45 12,-0.1 106,-2.8 -3,-0.1 2,-0.3 -0.812 40.2-159.4 -91.7 131.6 -7.2 -6.9 2.4 40 40 A Y E -DE 50 144A 17 10,-2.5 10,-1.8 -2,-0.5 2,-0.7 -0.838 14.8-134.9-117.3 146.2 -4.5 -9.0 0.8 41 41 A R E +DE 49 143A 89 102,-3.2 102,-0.7 -2,-0.3 8,-0.2 -0.872 32.5 178.3-101.2 115.5 -3.2 -12.5 1.7 42 42 A T E -D 48 0A 5 6,-3.6 6,-3.1 -2,-0.7 100,-0.0 -0.955 30.0-112.5-127.8 140.1 0.5 -12.6 1.7 43 43 A P 0 0 99 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.341 360.0 360.0 -63.2 146.7 3.1 -15.4 2.5 44 44 A P 0 0 111 0, 0.0 3,-0.1 0, 0.0 -34,-0.0 0.995 360.0 360.0 -81.2 360.0 5.2 -14.8 5.6 45 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 46 51 A P 0 0 103 0, 0.0 -34,-0.0 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 175.8 0.8 -18.7 8.2 47 52 A D - 0 0 57 -4,-0.1 2,-0.4 -35,-0.1 -6,-0.0 -0.145 360.0-132.9 -64.9 156.9 -0.3 -15.9 5.9 48 53 A Y E - D 0 42A 83 -6,-3.1 -6,-3.6 -40,-0.0 2,-0.5 -0.855 9.4-139.9 -96.9 146.7 -0.3 -12.2 6.7 49 54 A L E -AD 9 41A 0 -40,-2.8 -40,-2.1 -2,-0.4 2,-0.3 -0.955 28.9-172.4 -95.0 126.2 -3.2 -10.0 6.1 50 55 A N E +AD 8 40A 9 -10,-1.8 -10,-2.5 -2,-0.5 2,-0.3 -0.960 11.9 161.4-127.2 144.3 -1.9 -6.7 4.7 51 56 A A E -A 7 0A 3 -44,-1.8 -44,-2.8 -2,-0.3 2,-0.4 -0.971 27.0-133.9-151.4 158.2 -3.7 -3.4 4.0 52 57 A A E -A 6 0A 1 -14,-0.4 -15,-2.9 -2,-0.3 2,-0.4 -0.956 16.2-161.0-119.1 144.8 -3.0 0.2 3.4 53 58 A V E -AC 5 36A 0 -48,-2.4 -48,-2.8 -2,-0.4 2,-0.6 -0.992 11.5-148.9-125.4 130.0 -4.8 3.1 5.0 54 59 A A E -AC 4 35A 3 -19,-2.9 -20,-3.2 -2,-0.4 -19,-1.2 -0.916 23.8-174.9 -93.9 119.6 -4.9 6.8 3.9 55 60 A L E -AC 3 33A 0 -52,-2.9 -52,-2.8 -2,-0.6 2,-0.4 -0.973 18.2-149.1-120.0 114.6 -5.3 8.9 7.1 56 61 A E E +AC 2 32A 59 -24,-2.5 -24,-2.2 -2,-0.5 2,-0.4 -0.715 33.2 172.0 -74.7 131.3 -5.8 12.6 6.9 57 62 A T E - C 0 31A 2 -56,-2.6 -26,-0.2 -2,-0.4 -27,-0.1 -0.998 44.3-164.9-149.7 146.7 -4.2 14.1 10.1 58 63 A S + 0 0 94 -28,-2.6 -27,-0.1 -2,-0.4 -28,-0.1 0.425 66.7 108.6 -99.1 -5.9 -3.3 17.4 11.7 59 64 A L S S- 0 0 6 -29,-0.4 -2,-0.1 -30,-0.2 -29,-0.0 -0.349 78.1-106.1 -69.1 153.8 -1.0 15.6 14.2 60 65 A A > - 0 0 32 1,-0.1 4,-2.3 -2,-0.1 3,-0.5 -0.453 38.3-106.7 -68.4 154.0 2.7 15.7 14.1 61 66 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.882 119.9 46.5 -52.8 -47.6 4.4 12.5 12.9 62 67 A E H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.811 109.6 55.7 -71.5 -23.8 5.6 11.4 16.3 63 68 A E H > S+ 0 0 80 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.884 108.3 47.6 -69.3 -40.8 2.2 12.2 17.8 64 69 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.934 109.4 55.2 -61.8 -40.5 0.7 9.9 15.1 65 70 A L H X S+ 0 0 14 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.901 102.5 55.6 -60.3 -41.6 3.3 7.3 16.0 66 71 A N H X S+ 0 0 82 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.930 109.8 46.4 -56.3 -43.1 2.3 7.4 19.7 67 72 A H H X S+ 0 0 42 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.917 112.5 48.6 -66.3 -45.8 -1.3 6.6 18.6 68 73 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.907 112.3 48.9 -65.4 -36.7 -0.3 3.7 16.3 69 74 A Q H X S+ 0 0 84 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.889 110.4 51.9 -68.6 -37.6 2.0 2.2 19.0 70 75 A R H X S+ 0 0 87 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.932 109.0 49.8 -59.6 -45.7 -0.8 2.5 21.6 71 76 A I H X>S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.6 0.925 106.2 56.2 -66.2 -39.1 -3.2 0.7 19.2 72 77 A E H X5S+ 0 0 44 -4,-2.3 4,-0.7 1,-0.2 9,-0.3 0.920 112.6 42.0 -55.2 -41.0 -0.6 -2.0 18.7 73 78 A L H <5S+ 0 0 151 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.897 120.3 41.3 -73.6 -40.7 -0.5 -2.6 22.5 74 79 A Q H <5S+ 0 0 116 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.933 127.3 30.7 -74.1 -44.8 -4.2 -2.3 23.1 75 80 A Q H <5S+ 0 0 65 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.2 0.494 100.2 101.6 -92.3 -12.2 -5.4 -4.3 20.0 76 81 A G << 0 0 18 -4,-0.7 4,-0.1 -5,-0.6 -3,-0.1 -0.271 360.0 360.0 -62.8 168.0 -2.4 -6.5 20.0 77 82 A R 0 0 238 -5,-0.0 -1,-0.1 0, 0.0 -4,-0.1 0.105 360.0 360.0 -90.3 360.0 -2.9 -10.0 21.5 78 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 79 92 A R 0 0 180 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.4 4.8 -12.3 17.1 80 93 A T - 0 0 94 -4,-0.1 -70,-0.2 -3,-0.0 2,-0.2 -0.981 360.0 -74.4 177.4 170.9 2.4 -9.3 16.8 81 94 A L - 0 0 4 -2,-0.3 2,-0.5 -9,-0.3 -72,-0.2 -0.565 47.3-148.8 -79.4 143.5 0.1 -6.8 15.0 82 95 A D E +B 8 0A 67 -74,-2.9 -74,-2.2 -2,-0.2 2,-0.5 -0.966 23.0 179.6-132.8 124.4 1.9 -4.2 13.0 83 96 A L E -B 7 0A 4 -2,-0.5 2,-0.4 -76,-0.2 -76,-0.2 -0.943 18.7-177.6-119.1 102.1 1.1 -0.5 12.2 84 97 A D E -B 6 0A 28 -78,-2.2 -78,-3.1 -2,-0.5 2,-0.9 -0.872 27.4-131.5-106.5 132.7 3.9 1.0 10.1 85 98 A I E +B 5 0A 12 -2,-0.4 -80,-0.2 -80,-0.2 3,-0.1 -0.695 28.7 175.3 -82.2 109.5 4.0 4.6 8.9 86 99 A M E + 0 0 1 -82,-2.5 16,-1.6 -2,-0.9 2,-0.3 0.955 64.4 1.4 -80.8 -47.4 4.8 4.3 5.3 87 100 A L E -B 4 0A 6 -83,-1.4 -83,-2.4 14,-0.2 2,-0.4 -0.971 50.4-162.3-139.7 146.2 4.6 7.9 4.2 88 101 A F E > -B 3 0A 5 3,-0.4 3,-2.5 -2,-0.3 -85,-0.2 -0.878 68.7 -64.9-128.4 98.3 3.8 11.2 6.0 89 102 A G T 3 S- 0 0 34 -87,-2.6 -1,-0.2 -2,-0.4 -85,-0.1 -0.385 99.8 -46.2 54.0-135.8 2.9 13.8 3.3 90 103 A N T 3 S+ 0 0 108 -3,-0.1 -1,-0.3 34,-0.1 2,-0.1 0.054 103.7 136.0-106.7 18.9 6.0 14.2 1.3 91 104 A E < - 0 0 85 -3,-2.5 2,-0.6 1,-0.0 -3,-0.4 -0.342 48.6-145.4 -77.5 147.4 8.2 14.5 4.5 92 105 A V - 0 0 92 -2,-0.1 2,-0.5 33,-0.1 153,-0.1 -0.950 20.6-173.3-104.3 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116 A Y T 3 S+ 0 0 168 -4,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.538 101.4 18.7 -56.5 -20.4 13.0 2.0 5.5 104 117 A D T > S+ 0 0 45 2,-0.1 3,-2.3 4,-0.0 -1,-0.3 0.313 84.0 111.9-127.1 -3.8 12.2 -1.1 3.3 105 118 A M G X S+ 0 0 0 -3,-0.9 3,-2.0 1,-0.3 7,-0.4 0.820 75.1 61.8 -52.6 -34.0 8.7 -0.6 1.8 106 119 A K G 3 S+ 0 0 57 -4,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.644 103.6 50.8 -68.0 -15.2 10.2 -0.3 -1.7 107 120 A N G < S+ 0 0 91 -3,-2.3 2,-0.5 1,-0.1 -1,-0.3 0.292 98.8 80.5 -96.8 6.6 11.5 -3.9 -1.4 108 121 A R X> - 0 0 52 -3,-2.0 4,-2.3 -4,-0.2 3,-1.8 -0.887 52.8-169.6-126.9 105.2 8.1 -5.3 -0.3 109 122 A G H 3> S+ 0 0 13 -2,-0.5 4,-2.5 1,-0.3 33,-0.1 0.871 91.4 63.9 -54.4 -33.5 5.3 -6.1 -2.7 110 123 A F H 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.2 -70,-0.1 0.684 110.6 37.0 -70.6 -17.8 3.0 -6.6 0.3 111 124 A M H <> S+ 0 0 6 -3,-1.8 4,-1.3 -6,-0.3 -1,-0.2 0.785 119.7 44.8 -93.5 -40.3 3.4 -2.9 1.2 112 125 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 -7,-0.4 5,-0.2 0.874 106.9 56.4 -77.0 -39.8 3.5 -1.4 -2.3 113 126 A W H X S+ 0 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