==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-APR-12 4EQY . COMPND 2 MOLECULE: ACYL-[ACYL-CARRIER-PROTEIN]--UDP-N-ACETYLGLUCOSAM . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1566 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1215 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 507 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 . 5 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 . 143 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.6 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 6 0 0 0 0 5 6 1 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 24114 9 15 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 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 6 6 6 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 3 A S 0 0 137 0, 0.0 19,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.7 9.7 -25.2 11.4 2 4 A R + 0 0 140 1,-0.1 19,-2.1 15,-0.1 2,-0.6 0.824 360.0 52.2 -64.4 -36.8 6.2 -25.0 12.8 3 5 A I B S-a 21 0A 63 17,-0.2 19,-0.2 4,-0.0 -1,-0.1 -0.915 93.6-125.0-101.5 117.7 6.8 -27.4 15.6 4 6 A H > - 0 0 58 17,-2.9 3,-1.9 -2,-0.6 -2,-0.1 -0.290 18.2-122.9 -61.6 143.0 9.8 -26.6 17.7 5 7 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.733 112.0 53.4 -62.9 -17.6 12.3 -29.4 17.9 6 8 A T T 3 S+ 0 0 34 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.446 86.2 102.1 -93.3 -4.7 12.1 -29.4 21.7 7 9 A A < - 0 0 14 -3,-1.9 2,-0.6 14,-0.2 19,-0.2 -0.547 68.7-138.7 -72.7 144.1 8.3 -29.6 21.7 8 10 A I E -k 26 0B 42 17,-2.6 19,-2.8 -2,-0.2 2,-0.7 -0.940 17.6-174.0-110.4 109.3 7.0 -33.1 22.5 9 11 A I E -k 27 0B 54 -2,-0.6 19,-0.2 17,-0.2 3,-0.1 -0.904 25.3-134.8-101.2 110.6 4.1 -34.2 20.4 10 12 A E > - 0 0 82 17,-3.1 3,-2.3 -2,-0.7 -2,-0.0 -0.388 30.6 -93.5 -71.0 140.2 2.9 -37.6 21.8 11 13 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.319 114.7 33.7 -51.2 129.1 2.2 -40.3 19.3 12 14 A G T 3 S+ 0 0 51 1,-0.4 17,-0.1 -3,-0.1 16,-0.1 0.058 81.8 129.1 110.0 -22.1 -1.6 -40.2 18.5 13 15 A A < - 0 0 16 -3,-2.3 2,-0.6 14,-0.2 -1,-0.4 -0.403 51.3-143.0 -61.9 141.8 -2.0 -36.4 18.8 14 16 A Q E +t 32 0C 123 17,-2.5 19,-2.5 -3,-0.1 2,-0.5 -0.916 25.9 171.2-117.3 104.8 -3.8 -34.9 15.7 15 17 A L E -t 33 0C 40 -2,-0.6 19,-0.2 17,-0.2 20,-0.1 -0.951 34.2-119.6-115.2 130.4 -2.5 -31.6 14.7 16 18 A H > - 0 0 96 17,-2.3 3,-2.3 -2,-0.5 20,-0.1 -0.296 35.9-108.1 -57.4 149.3 -3.4 -29.8 11.4 17 19 A E T 3 S+ 0 0 79 1,-0.3 -1,-0.1 18,-0.0 -15,-0.1 0.730 118.0 54.1 -56.3 -24.5 -0.4 -29.1 9.3 18 20 A T T 3 S+ 0 0 33 2,-0.1 -1,-0.3 -16,-0.0 2,-0.2 0.406 78.2 117.4 -94.3 2.8 -0.5 -25.4 10.1 19 21 A V < - 0 0 2 -3,-2.3 2,-0.4 14,-0.2 19,-0.2 -0.505 52.5-151.8 -68.8 137.5 -0.5 -25.7 13.9 20 22 A E E - b 0 38A 94 17,-2.0 19,-2.4 -2,-0.2 2,-0.4 -0.937 11.7-172.2-110.2 141.4 2.5 -24.1 15.5 21 23 A V E -ab 3 39A 3 -19,-2.1 -17,-2.9 -2,-0.4 -14,-0.2 -0.990 14.0-142.6-136.3 123.7 4.0 -25.3 18.8 22 24 A G > - 0 0 15 17,-2.5 3,-1.4 -2,-0.4 20,-0.2 -0.068 40.6 -54.3 -82.6 178.4 6.8 -23.4 20.6 23 25 A P T 3 S+ 0 0 23 0, 0.0 19,-1.9 0, 0.0 20,-0.2 -0.152 116.5 3.4 -57.3 138.8 9.8 -24.7 22.6 24 26 A Y T 3 S+ 0 0 12 17,-0.2 2,-0.2 1,-0.2 -17,-0.2 0.551 92.5 138.7 67.2 12.4 9.4 -27.1 25.5 25 27 A A < - 0 0 0 -3,-1.4 -17,-2.6 17,-0.1 2,-0.4 -0.538 39.9-148.8 -84.0 155.1 5.6 -27.4 24.9 26 28 A I E -kl 8 44B 12 17,-2.9 19,-3.0 -19,-0.2 2,-0.5 -0.991 9.5-167.6-127.4 134.5 3.9 -30.8 25.2 27 29 A V E -kl 9 45B 0 -19,-2.8 -17,-3.1 -2,-0.4 -14,-0.2 -0.989 23.7-131.1-124.1 124.5 0.8 -32.1 23.3 28 30 A G > - 0 0 5 17,-2.4 3,-1.6 -2,-0.5 21,-0.1 -0.237 20.6-106.5 -79.7 165.1 -0.8 -35.3 24.6 29 31 A S T 3 S+ 0 0 44 1,-0.3 -1,-0.1 -16,-0.1 17,-0.1 0.654 115.6 48.2 -64.4 -21.5 -1.9 -38.4 22.7 30 32 A N T 3 S+ 0 0 80 17,-0.3 19,-0.7 -17,-0.1 2,-0.3 0.142 87.9 111.2-108.5 19.4 -5.6 -37.6 22.9 31 33 A V E < - u 0 49C 1 -3,-1.6 -17,-2.5 17,-0.2 2,-0.4 -0.723 45.7-165.9 -99.3 140.3 -5.5 -34.0 21.7 32 34 A T E -tu 14 50C 62 17,-2.4 19,-2.7 -2,-0.3 2,-0.4 -0.998 6.8-172.1-122.2 131.6 -6.8 -32.6 18.4 33 35 A I E -tu 15 51C 2 -19,-2.5 -17,-2.3 -2,-0.4 19,-0.2 -0.994 12.1-142.8-130.0 127.3 -5.8 -29.1 17.3 34 36 A G > - 0 0 18 17,-1.6 3,-1.4 18,-0.9 21,-0.2 -0.207 41.1 -48.7 -88.6 176.2 -7.3 -27.4 14.3 35 37 A A T 3 S- 0 0 3 1,-0.2 19,-2.2 18,-0.2 20,-0.2 -0.033 113.7 -1.4 -56.0 136.5 -5.8 -25.1 11.6 36 38 A R T 3 S+ 0 0 116 1,-0.2 -1,-0.2 17,-0.2 2,-0.2 0.475 84.8 144.5 68.9 10.8 -3.6 -22.0 12.4 37 39 A T < - 0 0 0 -3,-1.4 -17,-2.0 15,-0.2 2,-0.4 -0.556 36.0-152.1 -75.0 139.1 -3.8 -22.5 16.2 38 40 A T E -bc 20 56A 42 17,-2.2 19,-2.8 -19,-0.2 2,-0.5 -0.952 6.7-160.1-117.0 137.2 -0.5 -21.5 18.0 39 41 A I E -bc 21 57A 6 -19,-2.4 -17,-2.5 -2,-0.4 19,-0.2 -0.987 18.6-136.8-117.4 122.6 0.7 -23.0 21.2 40 42 A G > - 0 0 14 17,-1.9 3,-1.4 18,-0.9 21,-0.2 -0.219 35.3 -68.1 -77.7 169.3 3.3 -21.1 23.2 41 43 A S T 3 S+ 0 0 3 1,-0.2 19,-1.7 18,-0.1 20,-0.2 -0.105 112.6 12.9 -56.2 147.4 6.4 -22.3 24.9 42 44 A H T 3 S+ 0 0 0 -19,-1.9 -1,-0.2 1,-0.2 -18,-0.1 0.362 89.7 142.4 69.4 3.2 6.2 -24.4 28.0 43 45 A S < - 0 0 0 -3,-1.4 -17,-2.9 -20,-0.2 2,-0.5 -0.344 40.7-150.1 -78.4 150.0 2.5 -25.1 27.6 44 46 A V E -lm 26 62B 3 17,-2.1 19,-2.2 -19,-0.2 2,-0.5 -0.958 11.8-174.8-124.2 108.6 1.0 -28.6 28.4 45 47 A I E +lm 27 63B 0 -19,-3.0 -17,-2.4 -2,-0.5 2,-0.2 -0.929 26.5 141.8-105.6 123.4 -2.0 -29.6 26.3 46 48 A E + 0 0 52 17,-3.1 19,-0.1 -2,-0.5 -2,-0.0 -0.732 18.4 59.5-150.1-172.9 -3.5 -32.9 27.5 47 49 A G S S- 0 0 27 -2,-0.2 2,-1.5 1,-0.1 -17,-0.3 -0.031 103.3 -44.7 72.5-175.8 -6.6 -34.9 28.2 48 50 A H E S+ v 0 78C 69 29,-1.0 31,-1.6 16,-0.1 2,-0.4 -0.686 89.4 163.1 -85.3 83.8 -9.3 -35.8 25.6 49 51 A T E -uv 31 79C 0 -2,-1.5 -17,-2.4 -19,-0.7 2,-0.5 -0.912 33.3-165.1-124.2 129.9 -9.2 -32.4 24.3 50 52 A T E -uv 32 80C 66 29,-2.6 31,-3.0 -2,-0.4 2,-0.4 -0.975 10.9-174.1-114.6 125.0 -10.4 -30.8 21.0 51 53 A I E -uv 33 81C 3 -19,-2.7 -17,-1.6 -2,-0.5 31,-0.2 -0.958 11.9-145.5-122.2 133.8 -9.2 -27.4 20.0 52 54 A G - 0 0 14 30,-1.4 -18,-0.9 29,-1.0 3,-0.3 0.355 33.1 -56.9 -76.6-150.7 -10.5 -25.4 17.0 53 55 A E S S+ 0 0 83 1,-0.2 31,-2.2 -20,-0.1 32,-0.2 -0.641 103.5 13.2-102.0 151.8 -8.9 -23.0 14.5 54 56 A D S S+ 0 0 61 -19,-2.2 2,-0.2 -2,-0.2 -1,-0.2 0.711 79.3 155.0 60.8 28.6 -7.1 -19.7 14.9 55 57 A N - 0 0 2 -3,-0.3 -17,-2.2 -20,-0.2 2,-0.6 -0.582 34.8-151.1 -86.0 145.0 -6.6 -20.0 18.7 56 58 A R E +cd 38 86A 101 29,-3.1 31,-2.7 -2,-0.2 2,-0.5 -0.909 17.6 179.9-119.3 99.4 -3.8 -18.2 20.3 57 59 A I E -cd 39 87A 2 -19,-2.8 -17,-1.9 -2,-0.6 31,-0.2 -0.898 14.7-154.5-106.6 123.3 -2.6 -20.1 23.4 58 60 A G > - 0 0 9 29,-3.0 -18,-0.9 -2,-0.5 3,-0.6 0.330 31.7 -49.9 -85.9-152.9 0.2 -18.5 25.2 59 61 A H T 3 S+ 0 0 31 1,-0.2 31,-0.7 -20,-0.1 -17,-0.2 -0.573 114.9 12.2 -83.8 150.6 3.1 -19.7 27.5 60 62 A Y T 3 S+ 0 0 0 -19,-1.7 30,-1.0 -2,-0.2 2,-0.6 0.884 82.4 160.6 55.3 38.3 2.6 -21.9 30.5 61 63 A A E < - n 0 91B 0 -3,-0.6 -17,-2.1 -20,-0.2 2,-0.8 -0.855 29.5-156.4 -93.6 123.9 -1.0 -22.7 29.5 62 64 A S E +mn 44 92B 0 29,-2.6 31,-2.1 -2,-0.6 2,-0.5 -0.877 21.6 175.6 -99.1 102.2 -2.4 -25.9 31.2 63 65 A V E +mn 45 93B 0 -19,-2.2 -17,-3.1 -2,-0.8 31,-0.2 -0.942 59.4 8.9-119.3 116.0 -5.1 -27.0 28.9 64 66 A G E S+ 0 0 1 29,-2.8 30,-0.2 -2,-0.5 -1,-0.2 0.619 78.5 157.0 96.0 14.8 -7.0 -30.3 29.4 65 67 A G E - n 0 94B 0 28,-0.8 30,-2.3 -3,-0.2 -1,-0.2 -0.243 50.3 -86.9 -60.5 160.7 -5.7 -31.2 32.9 66 68 A R - 0 0 44 28,-0.2 -1,-0.1 1,-0.1 54,-0.1 -0.241 51.8 -86.6 -74.6 156.8 -7.9 -33.5 35.0 67 69 A P - 0 0 2 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.228 23.4-132.9 -56.4 150.0 -10.6 -32.3 37.3 68 70 A Q + 0 0 18 -3,-0.1 2,-0.4 3,-0.0 70,-0.1 -0.829 67.5 122.3 -95.9 78.7 -9.9 -31.2 40.8 69 71 A D > - 0 0 44 -2,-0.9 3,-1.8 1,-0.1 -3,-0.0 -0.965 63.3-140.3-142.8 126.1 -12.9 -33.2 42.1 70 72 A M T 3 S+ 0 0 129 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.757 102.4 60.2 -68.3 -20.3 -12.2 -35.9 44.7 71 73 A K T 3 S+ 0 0 57 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.596 77.1 116.9 -76.2 -13.4 -14.7 -38.2 43.0 72 74 A Y < - 0 0 43 -3,-1.8 25,-0.1 1,-0.1 -3,-0.0 -0.345 39.9-178.0 -61.1 128.4 -12.6 -38.1 39.7 73 75 A K - 0 0 69 -2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.341 58.4 -84.8-128.5 52.5 -11.3 -41.7 38.9 74 76 A D + 0 0 104 1,-0.2 -2,-0.1 2,-0.0 -8,-0.0 0.668 68.2 168.1 53.6 30.6 -9.3 -41.1 35.6 75 77 A E - 0 0 46 1,-0.1 2,-2.3 0, 0.0 -1,-0.2 -0.350 48.4-109.4 -65.9 148.2 -12.2 -41.3 33.3 76 78 A P + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 -0.413 58.1 166.6 -81.9 66.2 -11.5 -40.1 29.6 77 79 A T - 0 0 8 -2,-2.3 -29,-1.0 19,-0.2 2,-0.2 -0.293 25.4-116.0 -79.8 170.7 -13.6 -37.0 30.0 78 80 A R E -vw 48 103C 118 24,-2.6 26,-1.9 -31,-0.1 18,-1.3 -0.676 19.9-164.3-121.4 157.5 -13.5 -34.2 27.5 79 81 A L E -vw 49 104C 0 -31,-1.6 -29,-2.6 -2,-0.2 2,-0.5 -0.981 15.9-167.8-134.4 128.9 -12.6 -30.5 26.9 80 82 A V E -vw 50 105C 47 24,-2.6 26,-2.4 -2,-0.4 2,-0.4 -0.991 5.3-178.1-122.0 124.1 -13.9 -28.8 23.8 81 83 A I E -vw 51 106C 3 -31,-3.0 -29,-1.0 -2,-0.5 26,-0.2 -0.978 11.9-151.5-123.3 135.0 -12.5 -25.4 22.8 82 84 A G - 0 0 13 25,-1.4 -30,-1.4 24,-1.0 2,-0.3 0.494 33.6 -55.3 -79.1-139.8 -13.8 -23.5 19.7 83 85 A D S S+ 0 0 45 -31,-0.2 26,-2.5 1,-0.2 27,-0.3 -0.793 100.7 14.8-114.5 150.3 -12.2 -21.0 17.4 84 86 A R S S+ 0 0 108 -31,-2.2 2,-0.3 -2,-0.3 -29,-0.2 0.764 77.7 152.9 62.8 31.3 -10.4 -17.6 17.7 85 87 A N - 0 0 0 -32,-0.2 -29,-3.1 -3,-0.2 2,-0.5 -0.666 35.8-148.4 -90.6 142.4 -9.8 -17.8 21.4 86 88 A T E -de 56 111A 17 24,-2.3 26,-3.5 -2,-0.3 2,-0.5 -0.985 17.3-178.4-111.2 123.4 -7.0 -16.0 23.2 87 89 A I E -de 57 112A 0 -31,-2.7 -29,-3.0 -2,-0.5 26,-0.2 -0.984 9.8-161.4-126.8 119.2 -5.7 -17.9 26.2 88 90 A R > - 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0 0 29 -3,-1.1 4,-0.1 -4,-0.3 -97,-0.1 -0.504 35.9-172.1 -74.9 137.2 44.9 20.0 -15.8 1563 258 G Q S S+ 0 0 134 -99,-0.3 -1,-0.2 -2,-0.2 -98,-0.1 0.830 90.6 31.9 -91.1 -43.4 46.4 22.8 -13.6 1564 259 G R S S- 0 0 84 -100,-0.3 2,-0.1 1,-0.2 -99,-0.1 0.590 111.5-116.5 -89.4 -9.4 48.2 20.5 -11.1 1565 260 G G - 0 0 27 -6,-0.1 -83,-2.6 -84,-0.1 2,-0.3 -0.143 39.9 -73.4 86.1 168.1 49.1 17.7 -13.5 1566 261 G I B -l 1482 0X 13 -85,-0.2 -83,-0.2 1,-0.1 -101,-0.0 -0.654 47.8 -96.6 -99.3 153.5 47.7 14.1 -13.1 1567 262 G I 0 0 4 -85,-2.8 -72,-0.1 -2,-0.3 -1,-0.1 -0.257 360.0 360.0 -59.2 151.9 48.6 11.5 -10.6 1568 263 G R 0 0 130 -74,-0.3 -73,-0.1 -72,-0.0 -1,-0.1 0.386 360.0 360.0-137.2 360.0 51.2 8.9 -11.7 1569 !* 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 1570 1 X H 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.9 17.4 23.7 -11.0 1571 2 X H 0 0 101 1,-0.2 0, 0.0 -212,-0.1 0, 0.0 0.631 360.0 360.0 -96.6 -15.9 15.7 26.8 -9.8 1572 3 X H 0 0 123 -231,-0.1 -1,-0.2 -212,-0.0 -213,-0.0 -0.003 360.0 360.0 34.6 360.0 12.2 25.6 -8.9