==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-12 4E6U . COMPND 2 MOLECULE: ACYL-[ACYL-CARRIER-PROTEIN]--UDP-N-ACETYLGLUCOSAM . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR J.BADGER,B.CHIE-LEON,C.LOGAN,V.SRIDHAR,B.SANKARAN,P.H.ZWART, . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 81.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 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 . 1 0.4 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 . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 19 3 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 0 1 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 5 A D 0 0 188 0, 0.0 4,-0.1 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 150.8 22.3 -17.6 -31.2 2 6 A L + 0 0 84 1,-0.2 19,-2.3 18,-0.1 2,-0.5 0.780 360.0 50.1 -68.0 -28.1 21.3 -19.2 -27.9 3 7 A I B S-a 21 0A 48 17,-0.2 19,-0.2 4,-0.0 -1,-0.2 -0.963 91.5-129.6-114.5 116.2 24.1 -21.8 -28.1 4 8 A H > - 0 0 73 17,-2.8 3,-1.9 -2,-0.5 21,-0.1 -0.358 14.9-124.6 -66.7 143.4 27.5 -20.4 -28.9 5 9 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -4,-0.1 17,-0.1 0.675 107.9 60.8 -63.9 -16.6 29.3 -22.1 -31.8 6 10 A T T 3 S+ 0 0 40 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.462 78.4 106.1 -92.5 -4.1 32.4 -22.8 -29.6 7 11 A A < - 0 0 15 -3,-1.9 2,-0.5 17,-0.2 19,-0.2 -0.485 65.5-143.2 -64.8 148.9 30.4 -24.9 -27.2 8 12 A I E -k 26 0B 113 17,-2.6 19,-3.1 -2,-0.1 2,-0.5 -0.975 19.3-172.4-120.1 118.3 31.2 -28.6 -27.6 9 13 A I E -k 27 0B 57 -2,-0.5 19,-0.2 17,-0.2 17,-0.0 -0.944 23.6-123.6-121.5 117.3 28.1 -30.8 -27.2 10 14 A D > - 0 0 55 17,-2.7 3,-2.3 -2,-0.5 21,-0.1 -0.272 23.1-123.3 -57.7 138.0 28.3 -34.6 -27.1 11 15 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.776 111.7 57.8 -55.3 -24.6 26.1 -36.3 -29.7 12 16 A S T 3 S+ 0 0 39 2,-0.1 -2,-0.1 20,-0.0 2,-0.1 0.505 84.8 105.1 -85.5 -3.7 24.3 -38.2 -26.9 13 17 A A < - 0 0 17 -3,-2.3 2,-0.4 14,-0.2 19,-0.2 -0.395 59.8-149.3 -71.1 155.1 23.3 -35.0 -25.1 14 18 A V E -s 32 0C 93 17,-2.5 19,-2.3 -2,-0.1 2,-0.5 -0.994 10.1-166.3-131.0 123.2 19.7 -33.8 -25.3 15 19 A I E -s 33 0C 51 -2,-0.4 19,-0.2 17,-0.2 3,-0.1 -0.946 9.3-146.2-118.2 123.0 18.9 -30.1 -25.1 16 20 A A > - 0 0 41 17,-2.8 3,-1.0 -2,-0.5 20,-0.1 -0.118 39.2 -62.8 -78.6 178.3 15.5 -28.8 -24.5 17 21 A S T 3 S+ 0 0 77 1,-0.2 19,-1.6 18,-0.1 20,-0.3 -0.255 113.4 11.2 -62.1 149.9 13.8 -25.6 -25.9 18 22 A D T 3 S+ 0 0 115 1,-0.2 2,-0.3 17,-0.2 -1,-0.2 0.689 83.2 155.9 53.6 28.7 15.2 -22.2 -25.1 19 23 A V < - 0 0 5 -3,-1.0 2,-0.4 17,-0.1 19,-0.2 -0.671 29.2-152.8 -81.0 136.3 18.4 -23.4 -23.6 20 24 A Q E + b 0 38A 76 17,-2.4 19,-2.9 -2,-0.3 2,-0.4 -0.931 14.9 178.5-109.6 135.0 21.3 -21.0 -23.6 21 25 A I E -ab 3 39A 2 -19,-2.3 -17,-2.8 -2,-0.4 19,-0.2 -0.977 17.2-146.3-137.2 121.2 24.9 -22.2 -23.6 22 26 A G > - 0 0 12 18,-1.1 3,-1.1 17,-1.1 21,-0.1 -0.082 37.2 -56.1 -83.6-177.9 27.7 -19.7 -23.8 23 27 A P T 3 S+ 0 0 43 0, 0.0 19,-2.5 0, 0.0 20,-0.2 -0.195 114.4 10.1 -59.6 143.2 31.1 -19.8 -25.4 24 28 A Y T 3 S+ 0 0 141 1,-0.2 2,-0.2 17,-0.2 -17,-0.2 0.703 85.1 149.3 66.5 23.0 33.6 -22.6 -24.6 25 29 A C < - 0 0 0 -3,-1.1 -17,-2.6 17,-0.2 2,-0.5 -0.618 36.0-147.0 -80.0 151.6 31.2 -24.8 -22.7 26 30 A I E -kl 8 44B 66 17,-2.4 19,-3.0 -2,-0.2 2,-0.6 -0.986 10.8-171.0-121.2 123.0 31.6 -28.5 -22.7 27 31 A I E -kl 9 45B 2 -19,-3.1 -17,-2.7 -2,-0.5 -14,-0.2 -0.965 17.4-155.4-114.1 113.5 28.6 -30.7 -22.5 28 32 A G > - 0 0 7 17,-2.7 3,-0.8 -2,-0.6 19,-0.2 -0.040 30.8 -60.2 -82.7-174.0 29.5 -34.4 -22.0 29 33 A P T 3 S+ 0 0 47 0, 0.0 19,-2.5 0, 0.0 20,-0.2 -0.260 113.9 17.1 -68.2 151.2 27.8 -37.6 -22.8 30 34 A Q T 3 S+ 0 0 89 1,-0.2 19,-0.7 17,-0.2 2,-0.4 0.831 87.2 144.6 58.6 33.9 24.4 -38.5 -21.4 31 35 A V E < - t 0 49C 0 -3,-0.8 -17,-2.5 17,-0.2 2,-0.4 -0.881 30.2-168.3-100.2 136.5 23.6 -35.0 -20.3 32 36 A T E -st 14 50C 53 17,-2.4 19,-2.7 -2,-0.4 2,-0.5 -0.994 2.5-163.8-122.4 132.7 20.0 -33.6 -20.5 33 37 A I E -st 15 51C 3 -19,-2.3 -17,-2.8 -2,-0.4 19,-0.2 -0.973 16.0-137.3-122.3 118.8 19.4 -29.9 -20.1 34 38 A G > - 0 0 15 17,-2.1 3,-1.7 18,-0.7 20,-0.2 -0.193 36.6 -67.7 -77.9 164.7 15.8 -28.7 -19.4 35 39 A A T 3 S+ 0 0 21 1,-0.2 19,-2.0 18,-0.2 -17,-0.2 -0.084 113.1 10.4 -58.6 137.7 13.9 -25.9 -20.9 36 40 A G T 3 S+ 0 0 23 -19,-1.6 -1,-0.2 1,-0.3 2,-0.2 0.428 85.8 143.5 81.1 -2.8 15.0 -22.3 -20.1 37 41 A T < - 0 0 0 -3,-1.7 -17,-2.4 -20,-0.3 2,-0.5 -0.480 34.6-154.8 -72.1 141.5 18.3 -23.3 -18.5 38 42 A K E -bc 20 56A 68 17,-2.8 19,-2.7 -19,-0.2 2,-0.5 -0.984 11.0-170.3-121.9 123.4 21.2 -20.9 -19.1 39 43 A L E -bc 21 57A 2 -19,-2.9 -17,-1.1 -2,-0.5 19,-0.2 -0.949 15.9-148.0-103.4 132.1 24.8 -21.8 -19.0 40 44 A H - 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0 0 72 -2,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.276 35.8 -99.9 -68.0 166.2 19.2 -39.1 25.1 224 228 A S H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.923 125.6 48.4 -54.8 -45.7 17.7 -38.5 21.7 225 229 A V H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 112.2 49.0 -64.3 -41.2 15.2 -41.3 22.2 226 230 A Q H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 110.5 50.0 -65.1 -40.8 14.2 -40.0 25.6 227 231 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.902 108.1 54.3 -64.6 -39.3 13.8 -36.5 24.2 228 232 A I H X S+ 0 0 8 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.932 105.4 53.5 -57.8 -44.5 11.6 -37.9 21.4 229 233 A D H X S+ 0 0 86 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.914 111.1 46.0 -59.5 -42.1 9.4 -39.5 24.0 230 234 A Q H X S+ 0 0 87 -4,-1.8 4,-2.4 2,-0.2 5,-0.5 0.895 112.5 49.3 -68.0 -38.3 8.9 -36.2 25.8 231 235 A I H X>S+ 0 0 0 -4,-2.5 5,-3.1 2,-0.2 4,-2.0 0.932 112.3 48.9 -66.2 -43.4 8.2 -34.3 22.6 232 236 A K H <5S+ 0 0 97 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.906 115.8 44.3 -59.2 -45.1 5.7 -36.9 21.5 233 237 A S H <5S+ 0 0 68 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.940 130.7 13.5 -64.4 -52.5 3.9 -36.8 24.9 234 238 A E H <5S+ 0 0 134 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.652 131.3 27.6-109.2 -22.3 3.7 -33.1 25.6 235 239 A I T >X5S+ 0 0 5 -4,-2.0 4,-1.8 -5,-0.5 3,-1.0 0.814 103.0 64.4-115.1 -49.3 4.5 -31.0 22.6 236 240 A L T 34< + 0 0 3 -4,-1.8 3,-2.2 1,-0.1 4,-0.2 -0.738 57.5 173.5-127.4 79.8 2.6 -28.4 17.8 240 244 A P G > S+ 0 0 83 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.772 75.3 73.5 -60.7 -22.6 2.6 -30.7 14.7 241 245 A E G > S+ 0 0 53 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.703 79.4 74.6 -62.2 -21.1 5.7 -28.8 13.5 242 246 A A G X> S+ 0 0 0 -3,-2.2 4,-1.9 1,-0.2 3,-0.6 0.690 74.1 81.6 -67.5 -14.7 7.7 -30.7 16.2 243 247 A Q H <> S+ 0 0 67 -3,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.855 83.9 59.7 -59.4 -33.6 7.5 -33.8 14.0 244 248 A L H <> S+ 0 0 58 -3,-1.1 4,-2.0 -4,-0.2 -66,-0.5 0.873 105.4 48.6 -62.0 -36.9 10.5 -32.5 12.0 245 249 A L H <> S+ 0 0 1 -3,-0.6 4,-1.9 -4,-0.5 -2,-0.2 0.901 110.6 50.3 -66.7 -43.5 12.6 -32.5 15.1 246 250 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.944 109.5 51.6 -58.1 -46.4 11.5 -36.0 15.9 247 251 A D H X S+ 0 0 47 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.908 106.7 54.4 -57.4 -46.1 12.4 -37.1 12.4 248 252 A S H X S+ 0 0 4 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.919 112.4 42.6 -52.8 -47.1 15.9 -35.5 12.8 249 253 A L H < S+ 0 0 11 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 115.7 48.0 -73.4 -34.5 16.6 -37.5 15.9 250 254 A E H < S+ 0 0 104 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 115.3 45.1 -72.1 -30.9 15.1 -40.7 14.6 251 255 A Q H < S+ 0 0 106 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.599 84.4 122.9 -91.3 -11.1 17.0 -40.5 11.3 252 256 A S < + 0 0 29 -4,-0.9 4,-0.1 -5,-0.2 -94,-0.1 -0.211 27.5 169.9 -59.6 135.1 20.4 -39.6 12.7 253 257 A E S S+ 0 0 139 -96,-0.3 -1,-0.1 2,-0.2 -95,-0.1 0.664 81.9 38.5-109.4 -34.0 23.4 -41.8 11.9 254 258 A R S S- 0 0 87 1,-0.4 2,-0.1 -97,-0.2 -96,-0.1 0.418 111.2-115.3 -96.5 1.8 26.3 -39.7 13.3 255 259 A G - 0 0 31 -81,-0.1 -80,-2.9 -6,-0.1 -1,-0.4 -0.326 44.3 -66.8 79.8-176.8 24.4 -38.4 16.3 256 260 A I B -a 175 0D 5 -82,-0.2 2,-0.3 -2,-0.1 -80,-0.2 -0.789 42.5-100.9-118.4 154.8 23.6 -34.7 16.7 257 261 A V 0 0 5 -82,-2.8 -69,-0.1 -2,-0.3 -2,-0.0 -0.524 360.0 360.0 -72.9 132.0 25.6 -31.4 17.2 258 262 A R 0 0 131 -2,-0.3 -69,-0.8 -71,-0.2 -1,-0.2 0.640 360.0 360.0-132.6 360.0 25.7 -30.1 20.7