==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-NOV-07 3BCX . COMPND 2 MOLECULE: CDP-6-DEOXY-L-THREO-D-GLYCERO-4-HEXULOSE-3- . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR S-C.TSAI,P.SMITH . 840 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 48 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 1 0 0 0 0 4 3 6 0 2 3 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 2 4 0 4 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 . 10 6 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 2 A S > 0 0 89 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 145.5 52.2 35.0 23.1 2 3 A Q H > + 0 0 52 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.971 360.0 47.0 -71.7 -58.3 53.3 31.4 22.5 3 4 A E H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.760 116.4 51.4 -56.6 -22.4 50.4 29.4 24.0 4 5 A E H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.909 104.4 52.5 -80.3 -46.6 48.2 31.8 22.0 5 6 A L H X S+ 0 0 3 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.851 109.8 52.8 -58.2 -35.0 50.0 31.3 18.7 6 7 A R H >X S+ 0 0 29 -4,-2.1 4,-2.7 2,-0.2 3,-1.6 0.987 107.0 47.3 -64.8 -61.1 49.5 27.5 19.1 7 8 A Q H 3X S+ 0 0 121 -4,-1.4 4,-0.9 1,-0.3 -1,-0.2 0.793 114.5 50.1 -50.9 -31.8 45.7 27.5 19.8 8 9 A Q H 3X S+ 0 0 77 -4,-1.7 4,-1.3 2,-0.2 -1,-0.3 0.676 109.0 49.8 -82.2 -20.2 45.4 29.8 16.8 9 10 A I H X S+ 0 0 25 -4,-0.5 4,-2.6 -3,-0.4 3,-0.8 0.890 105.7 54.5 -78.5 -42.5 42.2 22.9 6.6 17 18 A A H 3X S+ 0 0 3 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.621 98.4 66.1 -65.6 -14.0 41.5 19.3 7.6 18 19 A E H 34 S+ 0 0 122 -5,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.869 112.0 31.4 -75.6 -39.0 37.8 20.0 7.0 19 20 A T H X< S+ 0 0 86 -3,-0.8 3,-1.0 -4,-0.6 -2,-0.2 0.940 126.7 42.0 -81.6 -53.3 38.4 20.5 3.3 20 21 A A H 3< S+ 0 0 43 -4,-2.6 2,-0.4 1,-0.2 -3,-0.2 0.977 118.6 39.3 -58.3 -66.4 41.3 18.1 2.9 21 22 A M T 3< S+ 0 0 52 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.1 0.016 83.3 126.1 -79.7 31.2 40.2 15.1 5.0 22 23 A A < - 0 0 55 -3,-1.0 2,-0.1 -2,-0.4 -4,-0.1 -0.806 62.7-123.2 -92.7 121.3 36.6 15.2 4.0 23 24 A P - 0 0 127 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.373 22.6-130.0 -64.4 136.9 35.3 11.9 2.6 24 25 A K - 0 0 145 1,-0.1 3,-0.1 -2,-0.1 0, 0.0 -0.681 27.0-102.4 -89.7 140.6 33.9 12.0 -1.0 25 26 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.297 46.6 -97.1 -60.6 142.8 30.5 10.5 -1.7 26 27 A F - 0 0 44 1,-0.1 2,-0.4 5,-0.0 380,-0.0 -0.364 38.2-171.9 -64.5 137.0 30.7 7.1 -3.5 27 28 A E >> - 0 0 99 -3,-0.1 4,-2.8 -2,-0.1 3,-2.2 -0.810 23.2-129.6-135.4 93.1 30.3 7.2 -7.3 28 29 A A T 34 S+ 0 0 66 -2,-0.4 4,-0.1 1,-0.3 2,-0.0 -0.017 91.2 16.7 -41.3 134.8 30.1 3.8 -8.9 29 30 A G T 34 S+ 0 0 44 2,-0.4 -1,-0.3 325,-0.3 3,-0.0 -0.070 130.7 47.7 90.6 -35.4 32.5 3.3 -11.8 30 31 A K T <4 S+ 0 0 144 -3,-2.2 -2,-0.2 2,-0.1 2,-0.1 0.806 94.8 75.1-104.8 -42.6 34.7 6.3 -10.9 31 32 A S S < S- 0 0 19 -4,-2.8 -2,-0.4 1,-0.1 2,-0.2 -0.459 75.1-135.0 -73.3 143.6 35.3 5.8 -7.1 32 33 A V - 0 0 79 -2,-0.1 324,-0.2 -4,-0.1 323,-0.1 -0.633 5.5-147.7 -99.2 157.0 37.7 3.0 -6.1 33 34 A V B -a 356 0A 3 322,-2.7 324,-2.0 -2,-0.2 364,-0.3 -0.758 24.5-163.3-121.8 80.8 37.4 0.4 -3.4 34 35 A P - 0 0 38 0, 0.0 363,-0.1 0, 0.0 3,-0.1 -0.179 26.2-121.6 -62.1 160.5 41.0 -0.1 -2.2 35 36 A P S S- 0 0 6 0, 0.0 363,-0.4 0, 0.0 2,-0.3 0.685 89.1 -7.2 -76.6 -18.8 41.8 -3.2 -0.1 36 37 A S + 0 0 26 361,-0.2 2,-0.3 362,-0.1 182,-0.1 -0.968 69.7 155.8-165.2 168.9 43.0 -1.1 2.8 37 38 A G - 0 0 19 181,-0.7 2,-0.3 -2,-0.3 364,-0.2 -0.966 37.2 -85.2 173.6 171.1 43.8 2.5 3.8 38 39 A K - 0 0 76 -2,-0.3 2,-0.4 362,-0.1 180,-0.1 -0.688 21.3-159.6 -98.6 150.7 44.2 5.2 6.4 39 40 A V + 0 0 32 -2,-0.3 2,-0.3 178,-0.1 183,-0.1 -0.884 28.5 157.8-130.5 96.7 41.4 7.3 7.9 40 41 A I + 0 0 14 -2,-0.4 2,-0.2 438,-0.1 243,-0.0 -0.788 7.5 162.2-117.9 163.2 42.9 10.5 9.4 41 42 A G > - 0 0 14 -2,-0.3 4,-1.7 -19,-0.0 5,-0.2 -0.536 54.6 -38.5-148.9-145.0 41.4 13.8 10.2 42 43 A T H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 125.2 53.7 -62.0 -50.1 41.8 17.1 12.2 43 44 A K H > S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.920 107.8 50.6 -52.8 -50.4 43.1 15.5 15.4 44 45 A E H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.952 115.0 42.1 -53.1 -56.0 46.0 13.7 13.5 45 46 A L H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.817 113.6 54.7 -63.3 -31.0 47.1 16.8 11.7 46 47 A Q H X S+ 0 0 45 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.956 110.0 43.1 -69.0 -50.6 46.7 18.9 14.9 47 48 A L H X S+ 0 0 13 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.900 111.5 55.3 -62.8 -40.7 48.9 16.8 17.1 48 49 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.868 108.4 48.9 -60.5 -36.1 51.6 16.4 14.4 49 50 A V H X S+ 0 0 5 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.913 110.6 51.5 -68.7 -41.2 51.8 20.2 14.2 50 51 A E H X S+ 0 0 58 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.958 110.3 47.4 -57.8 -52.6 52.0 20.4 17.9 51 52 A A H X>S+ 0 0 1 -4,-3.1 4,-1.0 1,-0.2 5,-0.5 0.870 111.4 52.7 -56.5 -38.5 54.9 17.9 18.0 52 53 A S H <5S+ 0 0 0 -4,-1.9 3,-0.5 -5,-0.2 -1,-0.2 0.914 109.6 47.8 -64.3 -43.2 56.5 19.9 15.1 53 54 A L H <5S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 99.4 67.7 -65.6 -39.2 56.3 23.1 17.1 54 55 A D H <5S- 0 0 43 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.857 88.2-153.8 -48.1 -39.6 57.7 21.4 20.2 55 56 A G T <5 + 0 0 2 -4,-1.0 -1,-0.1 -3,-0.5 -3,-0.1 0.684 61.3 115.5 70.8 17.0 61.0 21.1 18.3 56 57 A W < + 0 0 141 -5,-0.5 2,-2.4 1,-0.1 -4,-0.1 0.863 42.8 177.3 -83.2 -40.1 62.0 18.1 20.4 57 58 A L + 0 0 0 -6,-0.5 221,-2.1 588,-0.0 222,-0.5 -0.303 52.1 79.2 70.1 -59.2 61.9 15.7 17.4 58 59 A T B S-B 277 0B 20 -2,-2.4 220,-0.4 219,-0.2 219,-0.2 -0.210 104.6 -65.9 -69.3 173.6 63.1 12.5 19.2 59 60 A T S S+ 0 0 37 217,-0.6 2,-0.2 218,-0.2 -1,-0.2 -0.239 82.6 105.7 -63.0 151.2 60.4 10.7 21.2 60 61 A G > + 0 0 12 -3,-0.1 4,-3.7 217,-0.1 5,-0.3 -0.639 68.0 21.4-175.8-123.3 58.9 12.3 24.3 61 62 A R H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.874 130.8 34.1 -39.0 -59.5 55.7 14.0 25.3 62 63 A F H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.908 117.7 53.0 -71.7 -39.0 53.5 12.4 22.6 63 64 A N H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.892 109.0 50.6 -63.3 -38.2 55.4 9.1 22.5 64 65 A D H X S+ 0 0 100 -4,-3.7 4,-2.1 2,-0.2 -1,-0.2 0.953 112.0 47.4 -61.8 -48.7 54.9 8.8 26.3 65 66 A A H X S+ 0 0 36 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.917 113.7 48.6 -57.4 -46.7 51.2 9.5 25.9 66 67 A F H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.4 0.960 110.0 47.7 -60.5 -56.2 50.9 6.9 23.1 67 68 A E H X S+ 0 0 36 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.886 115.7 48.6 -54.4 -38.4 52.8 4.0 24.8 68 69 A K H X S+ 0 0 142 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.934 113.1 44.0 -68.0 -48.4 50.6 4.7 27.9 69 70 A K H X S+ 0 0 68 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.875 114.7 49.1 -67.3 -36.7 47.3 4.8 26.1 70 71 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.4 0.871 108.7 54.5 -69.2 -35.0 48.1 1.8 23.9 71 72 A G H X>S+ 0 0 8 -4,-1.7 5,-2.2 -5,-0.4 4,-2.0 0.886 109.9 46.8 -64.0 -37.0 49.1 -0.1 27.0 72 73 A E H <5S+ 0 0 126 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.870 113.4 48.8 -72.2 -36.0 45.7 0.7 28.5 73 74 A Y H <5S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.949 120.0 35.6 -68.3 -49.0 43.9 -0.3 25.3 74 75 A L H <5S- 0 0 7 -4,-3.1 -2,-0.2 2,-0.1 -1,-0.2 0.813 109.2-125.5 -72.4 -31.0 45.8 -3.7 25.1 75 76 A G T <5 + 0 0 56 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.862 65.7 126.4 86.1 38.6 45.8 -4.0 28.8 76 77 A V < - 0 0 9 -5,-2.2 -1,-0.3 -6,-0.2 156,-0.1 -0.949 58.3-139.3-127.4 148.8 49.6 -4.5 29.2 77 78 A P S S+ 0 0 81 0, 0.0 2,-0.5 0, 0.0 155,-0.2 0.742 85.2 56.6 -79.6 -22.3 52.1 -2.6 31.3 78 79 A Y E +C 231 0C 78 153,-1.6 153,-2.3 -7,-0.1 2,-0.4 -0.919 53.9 162.0-124.2 117.1 55.0 -2.3 28.8 79 80 A V E -C 230 0C 9 -2,-0.5 2,-0.5 151,-0.2 151,-0.2 -0.993 11.2-173.6-130.0 124.9 54.8 -0.8 25.3 80 81 A L E -C 229 0C 10 149,-3.2 149,-2.9 -2,-0.4 2,-0.2 -0.979 17.2-139.5-120.9 124.3 57.8 0.2 23.3 81 82 A T E +C 228 0C 1 -2,-0.5 147,-0.3 147,-0.2 2,-0.3 -0.546 26.7 171.5 -81.8 149.6 57.5 2.1 20.0 82 83 A T E -C 227 0C 1 145,-2.9 145,-2.0 -2,-0.2 193,-0.2 -0.858 46.9 -84.5-145.1 178.3 59.8 1.2 17.1 83 84 A T S S- 0 0 3 191,-0.7 2,-0.3 -2,-0.3 613,-0.1 0.658 95.2 -20.7 -67.4 -19.8 60.1 2.0 13.4 84 85 A S > - 0 0 2 141,-0.2 4,-2.0 190,-0.2 143,-0.3 -0.985 68.9 -87.9-173.2 174.3 57.7 -0.5 12.0 85 86 A G H > S+ 0 0 4 141,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.903 126.8 51.6 -62.6 -39.7 55.8 -3.8 12.4 86 87 A S H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.899 108.1 49.6 -63.6 -43.8 58.8 -5.5 11.0 87 88 A S H > S+ 0 0 1 607,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.874 109.0 54.8 -64.0 -34.0 61.2 -3.8 13.4 88 89 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.955 109.6 45.1 -62.9 -49.9 58.8 -4.8 16.2 89 90 A N H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.899 112.6 52.4 -60.0 -41.5 59.0 -8.5 15.2 90 91 A L H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.922 112.1 44.8 -61.4 -44.0 62.8 -8.2 14.8 91 92 A L H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.838 110.8 55.8 -69.3 -33.7 63.1 -6.8 18.3 92 93 A A H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.962 115.1 34.3 -63.4 -55.2 60.8 -9.4 19.8 93 94 A L H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 13,-0.2 0.901 117.4 54.3 -69.7 -40.5 62.6 -12.5 18.7 94 95 A T H >< S+ 0 0 2 -4,-2.0 3,-2.1 -5,-0.3 4,-0.2 0.861 99.9 60.6 -63.2 -36.8 66.1 -10.9 19.0 95 96 A A H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.827 96.0 62.5 -59.7 -31.5 65.4 -10.0 22.7 96 97 A L T << S+ 0 0 0 -4,-0.8 10,-3.4 -3,-0.7 -1,-0.3 0.472 92.0 65.6 -75.0 0.2 64.9 -13.6 23.4 97 98 A T T < S+ 0 0 34 -3,-2.1 -1,-0.3 8,-0.3 -2,-0.2 0.439 74.2 127.0 -96.9 -3.0 68.6 -14.3 22.4 98 99 A S X - 0 0 0 -3,-1.6 3,-2.4 -4,-0.2 171,-0.1 -0.313 63.1-139.1 -58.0 126.7 69.7 -12.2 25.4 99 100 A P G > S+ 0 0 100 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.694 99.1 75.9 -62.0 -14.5 72.3 -14.0 27.5 100 101 A K G 3 S+ 0 0 108 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.687 85.1 64.2 -68.6 -16.9 70.4 -12.5 30.5 101 102 A L G X S- 0 0 20 -3,-2.4 3,-1.7 1,-0.3 -1,-0.3 0.315 91.9-164.7 -87.0 7.1 67.7 -15.2 29.8 102 103 A G G X + 0 0 46 -3,-1.7 3,-1.8 1,-0.3 -1,-0.3 -0.100 62.1 7.4 49.8-130.7 70.3 -17.9 30.6 103 104 A V G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.692 131.4 51.5 -60.8 -21.5 69.4 -21.4 29.6 104 105 A R G < S+ 0 0 80 -3,-1.7 -1,-0.3 2,-0.1 2,-0.3 0.188 76.9 123.0-105.0 23.1 66.3 -20.4 27.6 105 106 A A S < S- 0 0 5 -3,-1.8 -8,-0.3 -8,-0.1 2,-0.2 -0.597 73.9-104.9 -76.7 140.1 67.9 -17.7 25.5 106 107 A L - 0 0 4 -10,-3.4 -1,-0.1 -2,-0.3 -2,-0.1 -0.499 43.9-168.8 -68.3 132.6 67.5 -18.5 21.8 107 108 A K > - 0 0 108 -2,-0.2 3,-2.5 4,-0.1 22,-0.1 -0.892 33.5 -83.0-123.4 154.3 70.7 -19.7 20.3 108 109 A P T 3 S+ 0 0 103 0, 0.0 23,-0.3 0, 0.0 22,-0.1 -0.274 118.5 29.2 -53.4 135.0 71.8 -20.3 16.6 109 110 A G T 3 S+ 0 0 32 21,-2.2 22,-0.1 1,-0.4 21,-0.1 0.179 91.8 120.4 98.0 -19.0 70.5 -23.7 15.5 110 111 A D < - 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