==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-08 3CXQ . COMPND 2 MOLECULE: GLUCOSAMINE 6-PHOSPHATE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,X.LIU,L.-F.LI,X.-D.SU . 182 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 2 2 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 188 0, 0.0 2,-0.5 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 -18.2 12.1 5.1 19.5 2 3 A P + 0 0 46 0, 0.0 2,-0.2 0, 0.0 42,-0.0 -0.577 360.0 167.8 -59.5 117.4 8.5 3.6 19.8 3 4 A D - 0 0 74 -2,-0.5 43,-2.4 2,-0.1 44,-0.3 -0.490 47.9 -94.6-127.8-168.1 6.5 6.9 20.1 4 5 A E + 0 0 113 41,-0.2 0, 0.0 -2,-0.2 0, 0.0 0.305 69.0 128.8-100.1 4.6 3.0 8.3 20.0 5 6 A T - 0 0 55 1,-0.1 40,-0.5 2,-0.1 -2,-0.1 -0.500 59.6-124.6 -66.3 122.5 2.7 9.4 16.4 6 7 A P B -A 44 0A 39 0, 0.0 38,-0.2 0, 0.0 37,-0.1 -0.277 9.5-124.5 -67.1 151.9 -0.5 7.9 14.9 7 8 A M S S+ 0 0 7 36,-1.9 2,-0.3 78,-0.3 74,-0.1 0.816 93.4 6.6 -64.0 -32.4 -0.4 5.7 11.8 8 9 A F S S- 0 0 20 35,-0.2 -1,-0.1 77,-0.1 70,-0.0 -0.906 103.8 -64.0-145.2 169.8 -2.9 8.1 10.1 9 10 A D > - 0 0 89 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.444 39.5-153.6 -64.2 114.2 -4.6 11.4 10.7 10 11 A P T >> S+ 0 0 46 0, 0.0 3,-1.4 0, 0.0 4,-0.9 0.694 87.4 72.2 -63.7 -23.1 -6.9 10.9 13.8 11 12 A S H 3> S+ 0 0 39 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.710 82.7 73.0 -67.7 -19.9 -9.3 13.7 12.8 12 13 A L H <4 S+ 0 0 32 -3,-1.5 -1,-0.3 1,-0.2 4,-0.2 0.822 97.6 47.9 -59.3 -32.7 -10.5 11.3 10.1 13 14 A L H <4 S+ 0 0 1 -3,-1.4 3,-0.3 -4,-0.3 -1,-0.2 0.799 112.7 46.3 -81.1 -32.2 -12.2 9.3 12.9 14 15 A K H < S+ 0 0 95 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.856 109.8 56.5 -69.6 -38.4 -13.8 12.4 14.4 15 16 A E S < S+ 0 0 112 -4,-2.7 2,-0.3 -5,-0.1 -1,-0.2 0.540 78.2 119.8 -73.4 -9.5 -14.9 13.5 10.9 16 17 A V S S- 0 0 9 -3,-0.3 2,-1.4 -4,-0.2 127,-0.1 -0.430 72.9-123.5 -60.9 119.5 -16.8 10.2 10.4 17 18 A D > - 0 0 80 -2,-0.3 3,-1.6 125,-0.2 -1,-0.1 -0.522 30.6-175.6 -67.1 92.5 -20.5 11.0 9.8 18 19 A W G > S+ 0 0 57 -2,-1.4 3,-1.6 1,-0.3 -1,-0.2 0.581 72.4 77.9 -73.5 -10.8 -21.9 8.9 12.6 19 20 A S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.754 87.5 63.1 -65.3 -23.1 -25.5 9.6 11.5 20 21 A Q G < S+ 0 0 80 -3,-1.6 -1,-0.3 2,-0.0 2,-0.2 0.366 78.0 116.7 -81.5 1.2 -24.8 7.1 8.8 21 22 A N < + 0 0 32 -3,-1.6 146,-0.1 1,-0.1 118,-0.0 -0.542 37.7 177.8 -70.0 138.3 -24.3 4.4 11.5 22 23 A T + 0 0 100 -2,-0.2 2,-0.1 144,-0.1 -1,-0.1 0.426 45.6 104.5-121.9 -6.1 -26.9 1.5 11.3 23 24 A A S S- 0 0 7 111,-0.1 2,-0.5 144,-0.1 144,-0.0 -0.486 74.7-115.9 -73.9 148.2 -25.7 -0.7 14.1 24 25 A T - 0 0 112 -2,-0.1 2,-0.5 4,-0.0 -1,-0.1 -0.774 32.1-170.2 -88.3 124.6 -27.8 -0.7 17.3 25 26 A F - 0 0 28 -2,-0.5 3,-0.2 109,-0.0 106,-0.0 -0.973 8.9-154.9-118.8 129.7 -25.9 0.6 20.4 26 27 A S S S+ 0 0 103 -2,-0.5 2,-0.2 1,-0.4 105,-0.0 -0.877 95.7 24.6-142.6 108.9 -27.2 0.3 24.0 27 28 A P S S- 0 0 99 0, 0.0 -1,-0.4 0, 0.0 2,-0.4 0.611 114.6-110.7 -66.2 161.9 -25.9 2.5 25.6 28 29 A A + 0 0 93 -3,-0.2 2,-0.3 -2,-0.2 -2,-0.1 -0.491 45.5 174.3 -65.6 119.2 -25.2 4.8 22.6 29 30 A I - 0 0 16 -2,-0.4 -4,-0.0 5,-0.1 3,-0.0 -0.863 7.7-173.9-122.7 161.3 -21.5 5.0 21.8 30 31 A S - 0 0 17 3,-1.2 105,-0.1 -2,-0.3 5,-0.0 -0.877 45.1 -95.7-144.2 168.2 -19.7 6.7 19.0 31 32 A P S S+ 0 0 7 0, 0.0 9,-0.5 0, 0.0 -17,-0.1 0.843 129.9 46.8 -56.6 -33.4 -16.1 6.9 17.7 32 33 A T S S+ 0 0 75 1,-0.2 8,-0.1 -18,-0.1 -18,-0.1 0.813 126.5 27.8 -79.3 -32.1 -15.9 10.2 19.6 33 34 A H S S+ 0 0 143 1,-0.1 -3,-1.2 6,-0.1 -1,-0.2 -0.605 71.4 163.3-126.6 74.9 -17.5 8.7 22.8 34 35 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.551 60.5 -69.3 -73.3 -10.9 -16.5 4.9 22.6 35 36 A G S > S- 0 0 28 3,-0.3 3,-2.1 -7,-0.1 95,-0.0 -0.624 77.0 -27.5 139.6 163.4 -17.3 4.2 26.3 36 37 A E T 3 S- 0 0 178 1,-0.3 3,-0.1 -2,-0.2 -3,-0.0 -0.160 127.0 -10.2 -41.6 116.8 -16.1 4.9 29.9 37 38 A G T 3 S+ 0 0 23 1,-0.2 54,-1.4 53,-0.1 55,-0.7 0.746 107.3 126.7 62.5 29.1 -12.4 5.5 29.9 38 39 A L E < -B 90 0B 15 -3,-2.1 2,-0.4 52,-0.2 -3,-0.3 -0.907 41.3-164.0-120.1 145.8 -11.9 4.4 26.3 39 40 A V E -B 89 0B 60 50,-1.9 50,-2.4 -2,-0.3 2,-0.6 -0.998 9.1-152.6-128.4 131.7 -10.3 6.2 23.3 40 41 A L E +B 88 0B 4 -9,-0.5 48,-0.2 -2,-0.4 -27,-0.1 -0.929 42.7 132.0-103.1 116.7 -10.8 5.1 19.7 41 42 A R E -B 87 0B 40 46,-2.3 46,-2.8 -2,-0.6 2,-0.1 -0.939 56.6 -71.6-155.7 167.9 -7.7 6.2 17.7 42 43 A P E -B 86 0B 4 0, 0.0 44,-0.2 0, 0.0 2,-0.1 -0.382 56.5 -99.6 -64.6 150.3 -5.0 5.2 15.2 43 44 A L - 0 0 5 42,-2.6 -36,-1.9 -37,-0.1 2,-0.3 -0.439 38.5-167.6 -64.9 140.5 -2.2 2.7 16.2 44 45 A C B > -A 6 0A 2 -38,-0.2 3,-2.0 -2,-0.1 4,-0.2 -0.908 35.7-108.3-124.6 160.6 1.1 4.2 17.2 45 46 A T G > S+ 0 0 2 -40,-0.5 3,-1.4 -2,-0.3 4,-0.2 0.758 114.3 68.3 -60.9 -24.4 4.5 2.4 17.7 46 47 A A G > S+ 0 0 10 -43,-2.4 3,-1.7 1,-0.3 -1,-0.3 0.648 79.7 78.8 -68.2 -14.3 4.2 2.9 21.5 47 48 A D G X >S+ 0 0 0 -3,-2.0 3,-2.1 1,-0.3 5,-1.3 0.704 72.6 79.9 -71.2 -16.7 1.3 0.5 21.6 48 49 A L G < 5S+ 0 0 37 -3,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.803 98.1 42.8 -52.3 -31.7 3.8 -2.3 21.4 49 50 A N G < 5S+ 0 0 126 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.209 103.4 68.2-103.8 13.7 4.2 -1.6 25.1 50 51 A R T < 5S- 0 0 46 -3,-2.1 46,-3.0 45,-0.1 -1,-0.2 -0.025 120.7 -96.1-116.1 25.8 0.5 -1.3 25.7 51 52 A G T >5S+ 0 0 16 -3,-0.4 4,-1.2 44,-0.2 -3,-0.2 0.846 70.3 151.0 66.9 38.8 -0.3 -5.0 25.0 52 53 A F H >> S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.715 104.3 64.7 -66.6 -23.7 -0.1 -8.2 20.4 54 55 A K H 34 S+ 0 0 143 2,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.880 108.8 40.1 -63.4 -39.0 -1.8 -9.5 23.5 55 56 A V H X< S+ 0 0 1 -4,-1.2 3,-1.5 -3,-0.6 4,-0.3 0.948 116.9 48.7 -71.2 -51.8 -5.1 -8.4 21.9 56 57 A L H >X S+ 0 0 29 -4,-2.3 3,-2.5 1,-0.3 4,-1.4 0.872 101.2 63.9 -55.3 -44.8 -4.1 -9.6 18.4 57 58 A G T 3< S+ 0 0 36 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.638 91.5 66.3 -58.6 -18.0 -3.0 -13.0 19.6 58 59 A Q T <4 S+ 0 0 82 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.705 103.7 45.8 -73.1 -21.3 -6.6 -13.7 20.7 59 60 A L T <4 S- 0 0 83 -3,-2.5 2,-0.3 1,-0.4 -2,-0.2 0.902 132.6 -34.3 -85.4 -49.5 -7.6 -13.7 17.0 60 61 A T S < S- 0 0 91 -4,-1.4 -1,-0.4 60,-0.0 2,-0.3 -0.877 86.6 -52.9-156.5-175.5 -4.8 -15.8 15.6 61 62 A E - 0 0 180 -2,-0.3 -3,-0.1 1,-0.1 -4,-0.1 -0.538 35.2-178.8 -76.5 132.8 -1.1 -16.5 16.2 62 63 A T - 0 0 49 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.575 25.9-166.4-101.9 -15.0 1.3 -13.6 16.3 63 64 A G - 0 0 60 -6,-0.1 2,-0.6 2,-0.0 -1,-0.2 -0.222 46.6 -25.5 63.5-153.2 4.4 -15.7 16.9 64 65 A V - 0 0 144 2,-0.0 2,-0.4 0, 0.0 -1,-0.0 -0.867 66.2-175.9-100.5 122.0 7.7 -14.1 18.0 65 66 A V - 0 0 49 -2,-0.6 -2,-0.0 4,-0.0 -3,-0.0 -0.971 15.1-146.5-123.1 124.9 8.1 -10.4 17.0 66 67 A S > - 0 0 43 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.548 26.4-118.8 -79.9 154.7 11.1 -8.2 17.5 67 68 A P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.910 117.9 50.8 -56.0 -41.9 10.6 -4.5 18.3 68 69 A E H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.881 108.7 51.9 -66.3 -38.6 12.6 -3.7 15.1 69 70 A Q H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 110.6 48.2 -55.4 -48.8 10.3 -6.0 13.1 70 71 A F H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.886 113.6 46.1 -63.5 -43.1 7.2 -4.3 14.5 71 72 A M H X S+ 0 0 21 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.808 108.8 54.5 -73.9 -32.6 8.4 -0.8 13.7 72 73 A K H X S+ 0 0 169 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.930 113.3 43.6 -63.0 -45.9 9.6 -1.7 10.2 73 74 A S H X S+ 0 0 63 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.909 113.3 51.1 -62.9 -46.6 6.1 -3.1 9.4 74 75 A F H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 110.2 49.3 -56.4 -50.1 4.4 -0.1 11.1 75 76 A E H X S+ 0 0 83 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.850 108.6 52.0 -61.2 -39.2 6.5 2.4 9.1 76 77 A H H X S+ 0 0 114 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.860 111.2 48.6 -63.8 -36.1 5.7 0.7 5.7 77 78 A M H X S+ 0 0 56 -4,-1.6 6,-0.9 2,-0.2 4,-0.8 0.866 112.7 47.0 -71.8 -40.5 2.0 0.8 6.5 78 79 A K H >< S+ 0 0 81 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.909 110.9 52.4 -64.3 -45.8 2.1 4.5 7.5 79 80 A K H 3< S+ 0 0 176 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 103.8 56.2 -64.7 -38.7 4.1 5.4 4.4 80 81 A S H 3< S- 0 0 43 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.777 91.8-143.9 -66.1 -27.7 1.7 3.8 1.9 81 82 A G S << S+ 0 0 35 -4,-0.8 -3,-0.1 -3,-0.6 -1,-0.1 0.338 78.6 97.7 79.3 -7.5 -1.3 5.8 3.2 82 83 A D + 0 0 42 -5,-0.3 22,-2.9 21,-0.1 2,-0.5 0.458 60.4 82.1 -93.0 -6.8 -3.3 2.7 2.6 83 84 A Y E - C 0 103B 72 -6,-0.9 2,-0.2 20,-0.2 20,-0.2 -0.903 45.5-178.6-114.1 128.7 -3.4 1.2 6.1 84 85 A Y E + C 0 102B 28 18,-2.6 18,-0.9 -2,-0.5 2,-0.7 -0.541 8.3 179.1-124.3 64.2 -5.9 2.3 8.9 85 86 A V E - C 0 101B 6 16,-0.2 -42,-2.6 -2,-0.2 2,-0.4 -0.576 13.6-170.1 -72.7 111.1 -5.0 0.2 11.9 86 87 A T E -BC 42 100B 0 14,-3.6 14,-2.0 -2,-0.7 2,-0.3 -0.898 5.8-175.7-115.7 130.3 -7.4 1.4 14.5 87 88 A V E -BC 41 99B 0 -46,-2.8 -46,-2.3 -2,-0.4 2,-0.5 -0.826 22.2-137.0-122.7 158.9 -7.3 0.5 18.2 88 89 A V E -BC 40 98B 0 10,-2.3 9,-3.2 -2,-0.3 10,-1.0 -0.988 23.7-162.0-112.9 124.9 -9.3 1.1 21.4 89 90 A E E -BC 39 96B 22 -50,-2.4 -50,-1.9 -2,-0.5 2,-1.0 -0.899 20.0-142.3-105.2 133.2 -7.3 2.0 24.5 90 91 A D E >>> -BC 38 95B 16 5,-2.8 4,-1.9 -2,-0.4 5,-1.5 -0.865 20.2-166.2 -82.9 102.1 -8.5 1.8 28.1 91 92 A V T 345S+ 0 0 75 -54,-1.4 -1,-0.1 -2,-1.0 -53,-0.1 0.585 82.7 61.9 -70.3 -14.0 -6.7 4.9 29.2 92 93 A T T 345S+ 0 0 117 -55,-0.7 -1,-0.2 1,-0.1 -54,-0.1 0.849 118.5 27.3 -73.7 -36.7 -7.2 4.0 32.9 93 94 A L T <45S- 0 0 121 -3,-0.7 -2,-0.2 -56,-0.2 -1,-0.1 0.568 101.5-129.2-101.9 -14.8 -5.1 0.8 32.4 94 95 A G T <5 + 0 0 25 -4,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.848 66.4 125.8 66.2 37.7 -2.9 2.1 29.6 95 96 A Q E < -C 90 0B 68 -5,-1.5 -5,-2.8 -44,-0.1 -1,-0.2 -0.966 66.2-116.8-131.7 140.1 -3.7 -1.0 27.5 96 97 A I E +C 89 0B 4 -46,-3.0 -7,-0.2 -2,-0.4 3,-0.1 -0.546 30.6 175.1 -67.1 138.9 -5.1 -1.8 24.1 97 98 A V E + 0 0 1 -9,-3.2 27,-3.7 1,-0.4 2,-0.3 0.479 61.9 17.3-122.8 -12.0 -8.4 -3.6 24.4 98 99 A A E -CD 88 123B 0 -10,-1.0 -10,-2.3 25,-0.3 -1,-0.4 -0.984 59.1-172.7-160.7 149.4 -9.5 -3.8 20.7 99 100 A T E +CD 87 122B 1 23,-2.4 23,-2.6 -2,-0.3 2,-0.3 -0.987 7.7 166.9-147.5 156.0 -8.1 -3.6 17.2 100 101 A A E -C 86 0B 0 -14,-2.0 -14,-3.6 -2,-0.3 2,-0.4 -0.928 19.5-143.4-164.5 145.6 -9.3 -3.5 13.6 101 102 A T E -CD 85 119B 10 18,-2.7 18,-2.6 -2,-0.3 2,-0.5 -0.958 3.4-161.8-118.9 132.8 -7.6 -2.6 10.2 102 103 A L E -CD 84 118B 0 -18,-0.9 -18,-2.6 -2,-0.4 2,-0.5 -0.973 15.4-164.5-103.4 122.9 -9.1 -0.9 7.2 103 104 A I E -CD 83 117B 30 14,-2.2 14,-1.4 -2,-0.5 2,-0.4 -0.919 6.4-149.4-106.3 134.0 -6.9 -1.5 4.1 104 105 A I E - 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