==== 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 10-JUN-09 3HSQ . COMPND 2 MOLECULE: ACYL-[ACYL-CARRIER-PROTEIN]--UDP-N- . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS; . AUTHOR L.I.ROBINS,A.H.WILLIAMS,C.R.RAETZ . 777 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 236 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.3 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 . 2 0.3 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 . 81 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 1 2 0 0 2 1 2 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 14 55 10 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 0 4 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 77 0, 0.0 2,-0.2 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -79.8 37.7 -19.8 -29.1 2 2 A K + 0 0 140 17,-0.4 19,-1.5 16,-0.2 2,-0.6 -0.772 360.0 178.7-160.6 113.5 40.6 -22.4 -28.8 3 3 A I B -a 21 0A 79 -2,-0.2 19,-0.2 17,-0.2 17,-0.1 -0.962 40.3-120.6-104.4 118.2 44.3 -22.4 -29.2 4 4 A H > - 0 0 69 17,-2.7 3,-1.9 -2,-0.6 21,-0.1 -0.319 18.9-121.5 -56.5 138.2 45.7 -25.9 -28.5 5 5 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.711 111.1 57.4 -55.4 -24.3 48.2 -25.9 -25.6 6 6 A T T 3 S+ 0 0 44 2,-0.1 2,-0.1 0, 0.0 16,-0.1 0.523 81.1 108.6 -88.2 -8.9 51.0 -27.3 -27.9 7 7 A A < - 0 0 17 -3,-1.9 2,-0.7 14,-0.2 19,-0.2 -0.425 65.0-140.1 -66.7 142.9 50.8 -24.4 -30.3 8 8 A I E +l 26 0B 115 17,-3.2 19,-2.8 -2,-0.1 2,-0.6 -0.865 28.9 172.8-111.7 96.7 53.7 -22.0 -30.2 9 9 A I E -l 27 0B 47 -2,-0.7 19,-0.2 17,-0.2 17,-0.1 -0.916 32.4-125.8-114.0 109.8 52.4 -18.4 -30.6 10 10 A D > - 0 0 66 17,-2.6 3,-1.3 -2,-0.6 21,-0.1 -0.220 20.7-128.2 -45.5 132.7 54.7 -15.5 -30.1 11 11 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.767 107.0 58.3 -61.2 -26.6 53.3 -13.1 -27.5 12 12 A K T 3 S+ 0 0 69 2,-0.1 2,-0.1 0, 0.0 17,-0.1 0.667 80.9 107.5 -77.5 -19.0 53.6 -10.1 -29.9 13 13 A A < - 0 0 15 -3,-1.3 2,-0.8 14,-0.2 19,-0.2 -0.390 69.1-133.7 -63.0 136.3 51.3 -11.8 -32.5 14 14 A E E +r 32 0C 142 17,-2.7 19,-2.8 -2,-0.1 2,-0.5 -0.830 31.7 170.8-101.1 103.8 47.9 -10.1 -32.7 15 15 A L E -r 33 0C 42 -2,-0.8 19,-0.2 17,-0.2 20,-0.0 -0.957 33.4-124.1-118.6 125.1 45.1 -12.7 -32.8 16 16 A H > - 0 0 77 17,-1.9 3,-2.2 -2,-0.5 20,-0.1 -0.338 34.0-112.0 -54.1 142.5 41.3 -11.9 -32.6 17 17 A E T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -16,-0.1 -15,-0.1 0.789 115.2 58.9 -51.7 -34.3 39.8 -13.9 -29.7 18 18 A S T 3 S+ 0 0 24 -17,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.584 78.3 119.3 -74.3 -12.5 37.7 -16.1 -32.1 19 19 A V < - 0 0 2 -3,-2.2 2,-0.5 14,-0.1 -17,-0.4 -0.360 52.7-151.1 -64.6 124.9 40.9 -17.4 -33.9 20 20 A E E - b 0 38A 78 17,-1.9 19,-3.8 -2,-0.2 2,-0.4 -0.865 13.1-175.7-100.9 127.3 41.4 -21.1 -33.7 21 21 A V E -ab 3 39A 3 -19,-1.5 -17,-2.7 -2,-0.5 19,-0.2 -0.989 13.9-148.5-124.8 121.2 44.9 -22.5 -33.8 22 22 A G > - 0 0 13 17,-2.3 3,-1.2 18,-0.9 18,-0.1 -0.060 37.3 -47.9 -85.1-174.6 45.5 -26.3 -33.8 23 23 A P T 3 S- 0 0 49 0, 0.0 19,-2.3 0, 0.0 -1,-0.2 -0.247 114.6 -1.5 -66.7 132.3 48.2 -28.7 -32.5 24 24 A Y T 3 S+ 0 0 137 1,-0.2 2,-0.2 17,-0.2 -17,-0.1 0.663 89.2 149.7 68.4 21.1 51.9 -28.1 -33.0 25 25 A S < - 0 0 0 -3,-1.2 -17,-3.2 17,-0.2 2,-0.5 -0.580 36.1-145.2 -83.2 147.2 51.3 -24.9 -35.1 26 26 A I E -lm 8 44B 69 17,-2.9 19,-3.0 -2,-0.2 2,-0.5 -0.961 15.8-178.6-119.3 122.1 53.9 -22.1 -35.0 27 27 A I E -lm 9 45B 3 -19,-2.8 -17,-2.6 -2,-0.5 19,-0.2 -0.990 14.7-156.0-120.7 124.8 53.0 -18.4 -35.2 28 28 A E - 0 0 70 17,-2.7 3,-0.3 -2,-0.5 2,-0.1 -0.189 26.9 -82.9 -88.8 179.7 55.8 -15.9 -35.2 29 29 A G S S+ 0 0 12 1,-0.2 19,-0.3 -16,-0.1 20,-0.2 -0.315 106.8 46.1 -78.0 170.3 55.9 -12.2 -34.2 30 30 A N S S+ 0 0 106 1,-0.3 18,-2.5 17,-0.2 2,-0.4 0.876 87.9 130.3 56.8 41.2 54.8 -9.4 -36.6 31 31 A V - 0 0 4 -3,-0.3 -17,-2.7 16,-0.2 2,-0.4 -0.966 38.1-172.4-122.9 138.3 51.7 -11.4 -37.4 32 32 A S E -rs 14 50C 32 17,-2.2 19,-3.3 -2,-0.4 2,-0.4 -0.991 2.7-176.8-132.1 128.5 48.1 -10.3 -37.4 33 33 A I E -rs 15 51C 3 -19,-2.8 -17,-1.9 -2,-0.4 19,-0.2 -0.986 15.1-146.0-126.7 123.3 45.2 -12.6 -37.8 34 34 A Q > - 0 0 104 17,-2.0 3,-1.2 18,-0.7 20,-0.3 -0.292 36.8 -53.8 -92.0 173.8 41.6 -11.4 -38.0 35 35 A E T 3 S+ 0 0 85 1,-0.2 19,-2.0 18,-0.2 -1,-0.2 0.032 113.1 16.2 -50.0 136.9 38.2 -12.7 -36.9 36 36 A G T 3 S+ 0 0 21 1,-0.3 2,-0.3 17,-0.3 -1,-0.2 0.401 82.9 142.7 90.3 -1.6 36.9 -16.2 -37.9 37 37 A T < - 0 0 0 -3,-1.2 -17,-1.9 17,-0.2 2,-0.5 -0.559 33.1-160.0 -79.3 133.4 40.2 -17.6 -39.0 38 38 A I E -bc 20 56A 44 17,-2.7 19,-2.7 -2,-0.3 2,-0.5 -0.971 6.0-169.7-117.3 124.1 41.0 -21.2 -38.3 39 39 A I E -bc 21 57A 3 -19,-3.8 -17,-2.3 -2,-0.5 19,-0.2 -0.967 12.2-158.5-110.4 122.1 44.5 -22.7 -38.4 40 40 A E > - 0 0 43 17,-3.0 -18,-0.9 -2,-0.5 3,-0.5 0.291 40.0 -45.4 -77.2-152.0 44.8 -26.5 -38.2 41 41 A G T 3 S+ 0 0 6 1,-0.2 19,-1.8 -20,-0.1 20,-0.3 -0.435 114.2 8.3 -84.1 156.1 47.8 -28.5 -37.1 42 42 A H T 3 S+ 0 0 94 -19,-2.3 2,-0.2 17,-0.2 -1,-0.2 0.612 86.2 148.9 54.4 18.0 51.5 -28.2 -38.0 43 43 A V < - 0 0 1 -3,-0.5 -17,-2.9 -20,-0.2 2,-0.5 -0.546 34.9-151.6 -78.8 142.9 50.8 -24.9 -39.7 44 44 A K E -mn 26 62B 74 17,-2.3 19,-3.1 -19,-0.2 2,-0.6 -0.981 10.0-171.6-118.7 125.0 53.5 -22.2 -39.7 45 45 A I E -mn 27 63B 0 -19,-3.0 -17,-2.7 -2,-0.5 19,-0.2 -0.952 20.4-150.7-113.1 113.8 52.7 -18.5 -40.0 46 46 A C > - 0 0 9 17,-3.3 3,-1.4 -2,-0.6 34,-0.1 -0.408 28.1 -78.7 -88.3 157.3 55.8 -16.4 -40.4 47 47 A A T 3 S+ 0 0 23 1,-0.2 -17,-0.2 -2,-0.1 -16,-0.2 -0.236 116.1 36.9 -48.3 131.8 56.7 -12.9 -39.4 48 48 A G T 3 S+ 0 0 0 -18,-2.5 32,-2.3 1,-0.3 2,-0.4 0.380 81.3 138.4 101.8 -0.9 55.2 -10.3 -41.8 49 49 A S E < - t 0 80C 0 -3,-1.4 -17,-2.2 -20,-0.2 2,-0.5 -0.670 30.0-174.7 -84.8 127.7 51.9 -12.2 -42.3 50 50 A E E -st 32 81C 71 30,-3.1 32,-3.2 -2,-0.4 2,-0.4 -0.922 11.9-176.3-126.1 103.5 48.8 -10.1 -42.3 51 51 A I E -st 33 82C 3 -19,-3.3 -17,-2.0 -2,-0.5 32,-0.2 -0.842 9.3-151.3-114.3 132.0 45.7 -12.3 -42.5 52 52 A G - 0 0 3 30,-1.3 -18,-0.7 31,-1.1 3,-0.4 0.350 38.2 -47.1 -81.1-147.3 42.1 -11.3 -42.7 53 53 A K S S+ 0 0 83 1,-0.2 32,-2.5 -20,-0.1 33,-0.3 -0.600 105.2 4.1 -99.5 147.1 38.8 -12.8 -41.6 54 54 A F S S+ 0 0 84 -19,-2.0 2,-0.3 -20,-0.3 -1,-0.2 0.816 80.7 153.3 54.1 38.6 37.4 -16.3 -42.0 55 55 A N - 0 0 2 -3,-0.4 -17,-2.7 -21,-0.2 2,-0.4 -0.688 32.8-146.6 -88.5 149.0 40.5 -17.8 -43.6 56 56 A R E -cd 38 87A 94 30,-2.7 32,-3.1 -2,-0.3 2,-0.5 -0.984 10.4-170.0-119.9 128.7 41.2 -21.6 -43.3 57 57 A F E -cd 39 88A 0 -19,-2.7 -17,-3.0 -2,-0.4 32,-0.2 -0.951 16.0-151.3-116.4 110.7 44.8 -23.0 -43.1 58 58 A H > - 0 0 21 30,-3.5 3,-2.0 -2,-0.5 33,-0.3 -0.335 42.5 -55.4 -78.2 162.3 44.9 -26.8 -43.4 59 59 A Q T 3 S+ 0 0 71 1,-0.2 32,-1.1 31,-0.1 -17,-0.2 0.036 121.0 5.9 -40.0 125.5 47.6 -29.0 -41.8 60 60 A G T 3 S+ 0 0 8 -19,-1.8 -1,-0.2 1,-0.3 -17,-0.1 0.462 83.7 150.0 80.1 1.7 51.2 -28.2 -42.8 61 61 A A < - 0 0 0 -3,-2.0 -17,-2.3 -20,-0.3 2,-0.4 -0.431 32.7-153.1 -62.3 141.2 50.4 -25.0 -44.7 62 62 A V E -no 44 93B 42 30,-2.5 32,-2.7 -19,-0.2 2,-0.5 -0.987 10.1-166.7-128.3 122.6 53.3 -22.5 -44.5 63 63 A I E +no 45 94B 0 -19,-3.1 -17,-3.3 -2,-0.4 32,-0.2 -0.937 63.9 5.1-122.2 125.5 52.7 -18.8 -44.8 64 64 A G E S+ 0 0 1 30,-2.1 31,-0.2 -2,-0.5 -1,-0.2 0.735 80.2 167.7 81.1 24.8 55.1 -15.9 -45.4 65 65 A V E - 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0 0 0 -2,-1.4 2,-0.3 -31,-0.2 22,-0.1 -0.645 21.9-126.5-104.9 167.0 58.8 -8.1 -45.8 79 79 A K - 0 0 74 20,-0.5 25,-2.0 -2,-0.2 18,-1.7 -0.734 19.7-155.2-128.1 159.6 55.2 -9.1 -45.9 80 80 A T E -tu 49 104C 0 -32,-2.3 -30,-3.1 -2,-0.3 2,-0.6 -0.982 22.5-162.0-128.3 116.4 52.4 -11.5 -46.9 81 81 A V E +tu 50 105C 46 23,-3.3 25,-2.9 -2,-0.4 2,-0.4 -0.905 11.2 178.0-107.7 118.4 49.0 -9.8 -47.2 82 82 A I E -tu 51 106C 5 -32,-3.2 -30,-1.3 -2,-0.6 25,-0.2 -0.984 9.8-158.8-123.4 129.7 46.0 -12.2 -47.1 83 83 A G - 0 0 15 23,-1.4 -31,-1.1 24,-1.0 2,-0.2 0.452 37.6 -51.4 -79.4-138.9 42.4 -11.0 -47.3 84 84 A D S S+ 0 0 43 -32,-0.2 25,-2.6 1,-0.2 26,-0.3 -0.682 102.1 13.3-110.6 157.2 39.2 -12.8 -46.2 85 85 A H S S+ 0 0 95 -32,-2.5 -30,-0.2 -2,-0.2 2,-0.2 0.634 78.6 149.9 58.6 23.4 37.6 -16.2 -46.9 86 86 A N - 0 0 0 -33,-0.3 -30,-2.7 -3,-0.2 2,-0.5 -0.545 36.6-145.0 -84.3 150.2 40.6 -17.9 -48.4 87 87 A I E -de 56 111A 53 23,-2.7 25,-3.1 -2,-0.2 2,-0.6 -0.970 10.9-171.3-117.9 122.3 41.4 -21.6 -48.2 88 88 A F E -de 57 112A 0 -32,-3.1 -30,-3.5 -2,-0.5 -27,-0.2 -0.932 18.7-153.0-113.3 106.3 44.9 -22.9 -47.9 89 89 A R > - 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0 0 180 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.307 66.5-160.1 -55.0 112.6 34.3 20.7 -115.5 757 237 C L - 0 0 36 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.1 -0.810 11.0-129.0-100.1 137.9 31.6 19.0 -113.4 758 238 C I > - 0 0 60 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.334 30.3-103.1 -77.0 165.1 30.1 20.5 -110.3 759 239 C E H > S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.816 119.4 54.8 -61.3 -36.3 29.9 18.5 -107.0 760 240 C Q H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 111.9 44.3 -64.4 -39.8 26.1 17.8 -107.3 761 241 C V H > S+ 0 0 6 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.874 110.9 53.1 -73.9 -39.4 26.7 16.2 -110.8 762 242 C K H X S+ 0 0 107 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.817 108.9 51.9 -59.7 -34.7 29.7 14.3 -109.6 763 243 C Y H X S+ 0 0 61 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.888 107.9 50.9 -69.8 -40.4 27.5 13.0 -106.9 764 244 C I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.956 111.7 46.8 -58.8 -51.5 24.9 11.9 -109.4 765 245 C I H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.910 113.4 48.7 -58.6 -46.4 27.5 10.0 -111.5 766 246 C K H X S+ 0 0 122 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.888 107.6 55.5 -59.5 -43.6 28.9 8.4 -108.4 767 247 C F H < S+ 0 0 24 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.922 112.4 41.8 -55.8 -49.1 25.4 7.3 -107.3 768 248 C F H >< S+ 0 0 21 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.897 115.9 50.0 -64.7 -44.0 24.8 5.6 -110.6 769 249 C R H 3< S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 113.4 44.1 -60.1 -45.3 28.3 4.0 -110.7 770 250 C D T 3< S+ 0 0 84 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.375 83.4 130.4 -85.3 0.5 28.2 2.6 -107.1 771 251 C S < - 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