==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUL-09 3I3X . COMPND 2 MOLECULE: ACYL-[ACYL-CARRIER-PROTEIN]--UDP-N- . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS; . AUTHOR A.H.WILLIAMS . 777 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 245 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 3 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 . 75 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 2 1 1 0 2 0 3 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 62 9 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 0 0 0 3 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 6 0 0 3 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 87 0, 0.0 2,-0.4 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 9.0 36.4 -19.1 88.8 2 2 A K - 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0 0 14 -3,-0.7 2,-1.3 14,-0.1 19,-0.2 -0.278 66.9-135.0 -54.3 127.1 49.5 -11.4 85.6 14 14 A E E +t 32 0C 141 17,-3.3 19,-2.6 0, 0.0 2,-0.4 -0.664 35.5 168.6 -92.2 83.5 46.1 -9.6 85.2 15 15 A L E -t 33 0C 43 -2,-1.3 19,-0.2 17,-0.2 20,-0.1 -0.822 34.1-121.7 -98.0 135.0 43.6 -12.5 85.1 16 16 A H - 0 0 69 17,-2.0 3,-0.5 -2,-0.4 -1,-0.0 -0.231 27.7-112.3 -62.3 160.5 39.9 -11.8 85.3 17 17 A E S S+ 0 0 137 1,-0.2 -1,-0.1 3,-0.0 17,-0.0 0.761 114.3 56.1 -72.5 -25.4 38.1 -13.5 88.2 18 18 A S S S+ 0 0 30 2,-0.1 -1,-0.2 -17,-0.0 -16,-0.2 0.742 83.8 116.1 -75.7 -24.7 36.0 -15.8 85.9 19 19 A V - 0 0 2 -3,-0.5 2,-0.4 14,-0.2 19,-0.2 0.017 52.8-149.6 -52.8 146.7 39.2 -17.2 84.2 20 20 A E E - b 0 38A 81 17,-1.7 19,-3.3 -19,-0.1 2,-0.4 -0.986 10.0-171.5-123.5 131.3 40.1 -20.9 84.4 21 21 A V E -ab 3 39A 4 -19,-0.6 -17,-2.7 -2,-0.4 19,-0.2 -0.989 15.8-145.8-125.7 122.4 43.7 -22.3 84.4 22 22 A G > - 0 0 11 18,-1.4 3,-1.2 17,-0.7 19,-0.1 -0.093 38.5 -52.5 -83.6-177.8 44.3 -26.1 84.2 23 23 A P T 3 S- 0 0 46 0, 0.0 19,-2.2 0, 0.0 20,-0.2 -0.241 114.6 -1.1 -62.7 134.2 47.0 -28.4 85.6 24 24 A Y T 3 S+ 0 0 139 1,-0.2 -17,-0.2 17,-0.2 2,-0.2 0.630 88.8 147.6 66.2 18.7 50.7 -27.6 85.1 25 25 A S < - 0 0 0 -3,-1.2 -17,-2.4 17,-0.2 2,-0.5 -0.490 37.7-144.1 -77.7 155.0 50.1 -24.5 83.0 26 26 A I E -lm 8 44B 77 17,-2.5 19,-2.2 -19,-0.2 2,-0.5 -0.958 15.7-177.0-129.6 112.2 52.6 -21.6 83.2 27 27 A I E -lm 9 45B 4 -19,-2.5 -17,-2.1 -2,-0.5 19,-0.2 -0.934 15.1-152.0-109.9 130.4 51.5 -18.0 83.0 28 28 A E - 0 0 68 17,-2.4 3,-0.2 -2,-0.5 2,-0.1 -0.223 26.8 -82.2 -92.6 179.7 54.2 -15.3 83.0 29 29 A G S S+ 0 0 18 1,-0.2 19,-0.2 -16,-0.1 -1,-0.2 -0.400 107.6 43.1 -76.6 161.4 54.3 -11.7 84.2 30 30 A N S S+ 0 0 78 1,-0.2 18,-2.4 17,-0.2 2,-0.4 0.923 84.9 135.7 67.0 45.8 53.0 -8.9 81.9 31 31 A V - 0 0 4 -3,-0.2 -17,-3.3 16,-0.2 2,-0.5 -0.993 37.5-166.3-129.2 129.0 50.0 -11.0 80.9 32 32 A S E +tu 14 50C 36 17,-2.5 19,-3.7 -2,-0.4 2,-0.5 -0.979 7.9 178.5-116.7 125.0 46.4 -9.8 80.6 33 33 A I E -tu 15 51C 2 -19,-2.6 -17,-2.0 -2,-0.5 19,-0.2 -0.987 15.2-153.5-127.1 118.9 43.6 -12.4 80.4 34 34 A Q > - 0 0 88 17,-1.9 3,-1.1 18,-0.7 -18,-0.1 -0.076 36.5 -44.6 -89.4-171.2 40.0 -11.1 80.2 35 35 A E T 3 S+ 0 0 82 1,-0.2 19,-1.9 18,-0.1 -1,-0.2 -0.212 113.3 5.9 -69.3 132.4 36.6 -12.6 81.1 36 36 A G T 3 S+ 0 0 18 1,-0.3 2,-0.4 17,-0.2 -1,-0.2 0.332 81.0 145.6 89.3 -5.8 35.5 -16.1 80.3 37 37 A T < - 0 0 0 -3,-1.1 -17,-1.7 15,-0.2 2,-0.5 -0.516 33.7-156.6 -70.4 120.7 38.8 -17.4 78.9 38 38 A I E -bc 20 56A 45 17,-2.4 19,-2.3 -2,-0.4 2,-0.4 -0.899 7.7-169.0-104.8 124.5 39.4 -21.0 79.7 39 39 A I E -bc 21 57A 3 -19,-3.3 -17,-0.7 -2,-0.5 19,-0.2 -0.933 7.2-160.1-109.8 133.0 42.9 -22.5 79.8 40 40 A E - 0 0 46 17,-2.9 -18,-1.4 -2,-0.4 3,-0.4 0.303 40.5 -46.6 -87.1-144.0 43.5 -26.2 80.0 41 41 A G S S+ 0 0 7 1,-0.2 19,-1.7 -19,-0.1 20,-0.3 -0.554 113.3 10.7 -94.6 159.2 46.6 -28.1 81.1 42 42 A H S S+ 0 0 91 -19,-2.2 2,-0.3 17,-0.2 -1,-0.2 0.653 84.6 148.8 50.7 22.3 50.3 -27.6 80.1 43 43 A V - 0 0 1 -3,-0.4 -17,-2.5 -20,-0.2 2,-0.5 -0.677 34.0-154.4 -81.7 136.9 49.4 -24.3 78.4 44 44 A K E -mn 26 62B 78 17,-2.1 19,-3.2 -2,-0.3 2,-0.6 -0.970 9.1-171.5-114.7 123.2 52.1 -21.6 78.5 45 45 A I E -mn 27 63B 0 -19,-2.2 -17,-2.4 -2,-0.5 19,-0.2 -0.959 20.3-152.2-111.0 112.4 51.2 -17.9 78.2 46 46 A C > - 0 0 9 17,-3.1 3,-1.2 -2,-0.6 34,-0.1 -0.374 28.2 -76.7 -87.4 163.1 54.3 -15.8 77.8 47 47 A A T 3 S+ 0 0 30 1,-0.2 31,-0.2 -2,-0.1 -17,-0.2 -0.277 115.3 38.6 -55.9 136.1 55.1 -12.2 78.7 48 48 A G T 3 S+ 0 0 1 -18,-2.4 32,-2.0 1,-0.3 2,-0.5 0.311 82.1 138.9 102.9 -3.6 53.5 -9.6 76.4 49 49 A S E < - v 0 80C 0 -3,-1.2 -17,-2.5 -19,-0.4 2,-0.7 -0.640 30.9-175.0 -87.1 120.7 50.3 -11.5 76.0 50 50 A E E -uv 32 81C 87 30,-3.2 32,-2.5 -2,-0.5 2,-0.4 -0.882 13.1-174.7-114.6 98.6 47.0 -9.6 75.9 51 51 A I E -uv 33 82C 3 -19,-3.7 -17,-1.9 -2,-0.7 32,-0.2 -0.791 6.8-153.0-103.7 132.3 44.2 -12.1 75.8 52 52 A G - 0 0 2 30,-1.2 -18,-0.7 31,-0.9 3,-0.4 0.346 35.1 -45.6 -82.6-147.4 40.5 -11.1 75.4 53 53 A K S S+ 0 0 77 1,-0.2 32,-2.4 -20,-0.1 33,-0.3 -0.619 104.7 0.6 -99.1 143.8 37.2 -12.7 76.4 54 54 A F S S+ 0 0 102 -19,-1.9 -1,-0.2 -2,-0.3 -17,-0.2 0.720 83.1 148.3 58.9 28.8 35.8 -16.2 76.0 55 55 A N - 0 0 2 -3,-0.4 -17,-2.4 30,-0.2 2,-0.4 -0.453 34.9-146.5 -81.5 160.4 38.9 -17.7 74.4 56 56 A R E -cd 38 87A 86 30,-2.1 32,-2.9 -19,-0.2 2,-0.5 -0.999 9.9-167.9-133.5 136.4 40.0 -21.3 74.9 57 57 A F E -cd 39 88A 0 -19,-2.3 -17,-2.9 -2,-0.4 32,-0.2 -0.939 17.2-153.1-124.3 102.9 43.5 -22.7 75.0 58 58 A H > - 0 0 22 30,-3.1 3,-1.8 -2,-0.5 33,-0.3 -0.189 43.9 -50.6 -70.6 168.4 43.7 -26.5 74.8 59 59 A Q T 3 S+ 0 0 67 1,-0.2 32,-1.3 31,-0.1 -17,-0.2 -0.044 121.1 4.0 -48.2 125.1 46.4 -28.6 76.3 60 60 A G T 3 S+ 0 0 10 -19,-1.7 -1,-0.2 1,-0.3 -17,-0.1 0.367 83.4 151.6 85.5 -4.4 50.0 -27.7 75.4 61 61 A A < - 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