==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-SEP-11 3TX1 . COMPND 2 MOLECULE: UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.P . 295 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 0 0 2 0 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 3 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 2 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 1 A M 0 0 113 0, 0.0 74,-0.1 0, 0.0 52,-0.0 0.000 360.0 360.0 360.0 -68.5 -7.0 54.0 7.7 2 2 A N + 0 0 143 1,-0.1 3,-0.5 2,-0.1 4,-0.2 0.553 360.0 70.0 -98.4 -19.4 -9.3 57.1 7.1 3 3 A N >> + 0 0 84 1,-0.2 4,-1.1 2,-0.1 3,-0.9 0.380 63.6 104.9 -80.9 -6.1 -6.4 58.1 4.9 4 4 A L H 3> S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.833 73.4 56.4 -50.3 -48.8 -6.6 55.6 2.0 5 5 A Q H 34 S+ 0 0 85 -3,-0.5 -1,-0.2 2,-0.2 6,-0.2 0.868 102.9 60.9 -56.6 -33.2 -8.1 57.8 -0.7 6 6 A T H <4 S+ 0 0 116 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.988 105.7 43.1 -53.7 -72.3 -5.1 60.1 -0.2 7 7 A K H < S+ 0 0 135 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.912 123.9 37.4 -40.2 -54.3 -2.4 57.5 -1.1 8 8 A F >< + 0 0 30 -4,-2.1 3,-0.8 3,-0.1 -1,-0.2 -0.653 60.9 158.9-115.3 82.3 -4.4 56.2 -4.0 9 9 A P T 3 S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.264 72.0 53.2 -72.3-174.8 -6.4 58.6 -6.2 10 10 A H T 3 S+ 0 0 159 1,-0.2 2,-0.7 -2,-0.1 -2,-0.0 0.425 88.0 100.8 69.5 -11.6 -7.0 57.0 -9.6 11 11 A I S < S- 0 0 6 -3,-0.8 2,-0.3 -6,-0.2 -1,-0.2 -0.961 84.3-122.5-107.3 113.2 -8.5 54.0 -7.6 12 12 A A E +A 36 0A 44 -2,-0.7 24,-2.8 24,-0.6 2,-0.3 -0.413 45.9 168.7 -56.4 116.2 -12.2 54.3 -7.7 13 13 A I E -A 35 0A 36 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.952 19.5-150.7-132.5 151.8 -13.2 54.4 -4.1 14 14 A K E -A 34 0A 83 20,-2.7 20,-2.7 -2,-0.3 2,-0.4 -0.975 12.5-127.5-134.0 149.8 -16.5 55.2 -2.2 15 15 A L E S-A 33 0A 148 -2,-0.4 18,-0.2 1,-0.2 17,-0.1 -0.651 80.9 -25.0 -96.9 130.4 -17.5 56.5 1.1 16 16 A N E S- 0 0 107 16,-2.3 16,-0.2 -2,-0.4 -1,-0.2 0.775 80.5-168.7 38.4 51.1 -20.0 54.7 3.3 17 17 A E E -A 31 0A 27 14,-1.1 14,-1.9 -3,-0.4 2,-0.4 -0.483 21.4-130.7 -80.3 123.8 -21.6 52.8 0.4 18 18 A P E > -A 30 0A 69 0, 0.0 3,-0.8 0, 0.0 12,-0.2 -0.617 18.2-150.0 -70.6 129.5 -24.8 50.9 1.2 19 19 A L G > S+ 0 0 0 10,-1.1 3,-2.4 -2,-0.4 4,-0.4 0.573 77.2 89.9 -80.2 -11.8 -24.2 47.5 -0.3 20 20 A S G > S+ 0 0 46 8,-0.9 3,-0.8 1,-0.3 -1,-0.2 0.775 80.4 66.2 -59.9 -25.4 -27.7 46.5 -1.2 21 21 A K G < S+ 0 0 149 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.758 110.5 35.4 -61.5 -26.9 -27.0 48.1 -4.6 22 22 A Y G < S+ 0 0 34 -3,-2.4 2,-0.4 -4,-0.1 -1,-0.2 0.238 100.0 94.9-111.9 5.5 -24.4 45.4 -5.3 23 23 A T S X S- 0 0 8 -3,-0.8 3,-1.2 -4,-0.4 40,-0.2 -0.858 70.6-133.3-112.5 148.9 -26.0 42.3 -3.6 24 24 A Y T 3 S+ 0 0 86 38,-1.5 192,-0.5 -2,-0.4 40,-0.2 0.757 111.2 46.0 -66.5 -27.2 -28.1 39.7 -5.1 25 25 A T T 3 S- 0 0 0 38,-0.5 -1,-0.3 41,-0.3 237,-0.1 0.519 107.5-127.1 -87.9 -8.3 -30.7 39.9 -2.3 26 26 A K S < S+ 0 0 135 -3,-1.2 2,-0.3 1,-0.3 -6,-0.2 0.934 72.9 107.9 60.8 44.2 -30.6 43.7 -2.6 27 27 A T + 0 0 3 -8,-0.2 -1,-0.3 236,-0.1 -2,-0.2 -0.961 25.8 102.6-143.2 165.0 -29.9 44.0 1.2 28 28 A G - 0 0 8 -2,-0.3 -8,-0.9 -3,-0.1 -9,-0.3 -0.110 57.9-102.3 128.6 133.0 -27.0 44.8 3.5 29 29 A G - 0 0 10 40,-1.6 -10,-1.1 39,-0.6 42,-0.2 -0.085 58.7 -71.5 -65.4 177.0 -26.0 47.8 5.6 30 30 A A E -A 18 0A 30 40,-0.5 43,-1.6 -12,-0.2 2,-0.5 -0.179 33.5-138.3 -72.3 163.6 -23.3 50.1 4.4 31 31 A A E -Ab 17 73A 0 -14,-1.9 -14,-1.1 41,-0.2 3,-0.2 -1.000 15.4-139.2-121.7 122.5 -19.6 49.4 4.3 32 32 A D E S+ 0 0 40 41,-1.3 -16,-2.3 -2,-0.5 2,-0.4 0.771 90.3 31.0 -54.8 -35.1 -17.5 52.4 5.4 33 33 A V E S-Ab 15 76A 34 42,-0.8 44,-2.8 -18,-0.2 2,-0.6 -0.918 71.7-175.1-132.0 105.8 -14.7 52.1 2.7 34 34 A F E -Ab 14 77A 0 -20,-2.7 -20,-2.7 -2,-0.4 2,-0.4 -0.875 6.6-173.3-111.4 113.0 -15.8 50.7 -0.7 35 35 A V E -Ab 13 78A 0 42,-2.7 44,-2.6 -2,-0.6 -22,-0.2 -0.879 15.7-173.2-116.0 133.4 -13.1 50.1 -3.3 36 36 A M E -A 12 0A 29 -24,-2.8 -24,-0.6 -2,-0.4 2,-0.3 -0.908 16.3-156.7-121.8 100.2 -13.2 49.0 -7.0 37 37 A P - 0 0 0 0, 0.0 45,-0.3 0, 0.0 -26,-0.1 -0.614 15.4-167.1 -83.3 138.3 -9.8 48.3 -8.7 38 38 A K S S+ 0 0 103 -2,-0.3 2,-0.3 44,-0.1 -27,-0.1 0.632 76.9 46.0 -90.1 -19.8 -9.4 48.6 -12.4 39 39 A T S > S- 0 0 62 1,-0.1 4,-1.8 44,-0.1 5,-0.1 -0.901 75.9-128.1-129.9 152.2 -6.0 46.8 -12.2 40 40 A I H > S+ 0 0 47 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.911 115.4 52.6 -56.6 -48.3 -4.5 43.8 -10.5 41 41 A E H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 106.7 54.4 -58.9 -39.0 -1.7 46.1 -9.1 42 42 A E H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 106.3 50.7 -60.2 -41.5 -4.5 48.3 -7.7 43 43 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.915 110.8 51.6 -63.3 -37.0 -5.9 45.3 -6.0 44 44 A Q H X S+ 0 0 34 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.908 105.7 51.0 -63.9 -49.7 -2.5 44.6 -4.5 45 45 A E H X S+ 0 0 74 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.905 113.2 46.4 -59.3 -38.6 -1.8 48.0 -3.2 46 46 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.931 112.9 47.8 -73.5 -43.0 -5.1 48.1 -1.3 47 47 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.906 115.6 45.8 -61.6 -43.4 -4.8 44.6 0.1 48 48 A A H X S+ 0 0 21 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.945 111.6 52.0 -66.1 -44.4 -1.2 45.3 1.2 49 49 A Y H X S+ 0 0 32 -4,-2.7 4,-1.6 -5,-0.3 -2,-0.2 0.903 112.3 44.9 -58.5 -46.1 -2.3 48.7 2.7 50 50 A C H <>S+ 0 0 1 -4,-2.6 5,-3.1 2,-0.2 -1,-0.2 0.858 113.3 51.0 -67.0 -39.0 -5.1 47.2 4.7 51 51 A H H ><5S+ 0 0 86 -4,-2.1 3,-2.6 3,-0.2 -2,-0.2 0.990 111.1 47.1 -58.8 -60.0 -2.9 44.3 5.9 52 52 A Q H 3<5S+ 0 0 152 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.728 116.3 43.6 -56.3 -30.7 -0.1 46.6 7.1 53 53 A N T 3<5S- 0 0 82 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.254 111.5-121.7 -97.4 10.5 -2.5 48.9 8.9 54 54 A K T < 5 + 0 0 193 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.785 55.1 159.7 49.9 36.8 -4.4 45.9 10.3 55 55 A I < - 0 0 26 -5,-3.1 -1,-0.2 -6,-0.2 21,-0.1 -0.796 47.3-114.9 -88.1 115.0 -7.6 47.1 8.7 56 56 A P - 0 0 82 0, 0.0 20,-2.0 0, 0.0 2,-0.4 -0.226 37.5-158.1 -46.0 134.4 -10.2 44.2 8.4 57 57 A L E -c 76 0A 55 18,-0.2 2,-0.4 20,-0.0 20,-0.2 -0.967 11.4-168.5-124.6 139.4 -10.7 43.6 4.7 58 58 A T E -c 77 0A 35 18,-3.1 20,-3.1 -2,-0.4 2,-0.6 -0.976 12.7-145.8-127.8 144.6 -13.6 41.9 2.9 59 59 A I E -c 78 0A 62 -2,-0.4 2,-0.5 18,-0.2 20,-0.2 -0.935 15.4-165.9-107.1 126.1 -14.0 40.8 -0.6 60 60 A L E +c 79 0A 6 18,-2.5 20,-0.5 -2,-0.6 67,-0.1 -0.951 11.4 176.7-113.6 123.8 -17.4 41.1 -2.1 61 61 A G S S- 0 0 23 -2,-0.5 -1,-0.1 18,-0.1 20,-0.1 0.508 72.6 -52.0 -83.6-119.7 -18.4 39.3 -5.3 62 62 A N - 0 0 29 63,-0.1 -38,-1.5 -39,-0.1 4,-0.1 0.068 67.9-121.5-107.4 14.5 -22.1 39.8 -6.2 63 63 A G > + 0 0 6 -40,-0.2 3,-0.8 1,-0.2 -38,-0.5 0.810 68.0 139.1 51.7 34.9 -23.4 38.7 -2.8 64 64 A S T 3 S+ 0 0 25 1,-0.2 154,-0.3 -40,-0.2 -1,-0.2 0.595 80.6 36.1 -84.8 -5.6 -25.4 35.9 -4.4 65 65 A N T 3 S+ 0 0 33 152,-0.2 226,-2.7 225,-0.1 2,-0.3 -0.046 111.3 68.4-134.2 31.1 -24.3 33.8 -1.5 66 66 A L E < -d 291 0B 22 -3,-0.8 2,-0.4 224,-0.2 -41,-0.3 -0.993 53.0-150.9-155.1 155.5 -24.3 36.3 1.4 67 67 A I E -d 292 0B 0 224,-2.5 226,-2.6 -2,-0.3 2,-0.5 -0.975 15.2-159.4-122.1 127.7 -26.2 38.4 3.8 68 68 A I E -d 293 0B 2 -2,-0.4 -39,-0.6 224,-0.2 226,-0.2 -0.982 23.7-122.2-111.4 111.8 -24.7 41.5 5.2 69 69 A K > - 0 0 49 224,-2.4 -40,-1.6 -2,-0.5 3,-1.4 -0.043 20.7-115.1 -56.2 155.0 -26.3 42.8 8.4 70 70 A D T 3 S+ 0 0 33 1,-0.3 -40,-0.5 -42,-0.2 226,-0.1 0.733 112.1 75.6 -67.6 -22.0 -27.7 46.4 8.4 71 71 A G T 3 S- 0 0 13 224,-1.1 -1,-0.3 1,-0.2 225,-0.2 0.621 102.1-145.3 -60.0 -9.7 -25.0 47.3 11.1 72 72 A G < - 0 0 0 -3,-1.4 223,-1.4 223,-0.2 2,-0.3 -0.403 20.1 -61.5 77.7-155.4 -22.9 47.2 7.9 73 73 A I E -b 31 0A 10 -43,-1.6 -41,-1.3 221,-0.2 2,-0.3 -0.987 38.5-132.3-134.7 141.9 -19.3 46.0 7.7 74 74 A R E + 0 0 106 -2,-0.3 2,-0.3 -43,-0.1 220,-0.1 -0.741 69.4 13.8 -98.9 138.4 -16.1 47.3 9.3 75 75 A G E S- 0 0 13 -2,-0.3 -42,-0.8 -18,-0.1 2,-0.4 -0.820 107.0 -30.6 106.0-145.1 -12.8 47.9 7.4 76 76 A V E -bc 33 57A 2 -20,-2.0 -18,-3.1 -2,-0.3 2,-0.5 -0.939 48.0-154.7-116.9 134.0 -12.5 48.0 3.6 77 77 A I E -bc 34 58A 1 -44,-2.8 -42,-2.7 -2,-0.4 2,-0.5 -0.937 11.3-155.3-108.3 128.8 -14.7 46.0 1.2 78 78 A L E -bc 35 59A 0 -20,-3.1 -18,-2.5 -2,-0.5 2,-0.5 -0.933 8.8-172.3-108.1 131.0 -13.1 45.2 -2.2 79 79 A H E - c 0 60A 4 -44,-2.6 3,-0.4 -2,-0.5 -18,-0.1 -0.978 10.1-163.0-125.7 119.7 -15.3 44.6 -5.2 80 80 A L > + 0 0 12 -20,-0.5 3,-2.0 -2,-0.5 18,-0.1 -0.066 43.9 133.6 -99.0 36.6 -13.5 43.4 -8.3 81 81 A D T 3 + 0 0 60 1,-0.3 -1,-0.2 -20,-0.1 -43,-0.1 0.866 68.9 58.2 -51.8 -41.0 -16.3 44.2 -10.6 82 82 A L T 3 S+ 0 0 81 -3,-0.4 2,-1.3 -45,-0.3 -1,-0.3 0.568 84.0 82.5 -71.7 -9.4 -13.8 45.9 -13.1 83 83 A L < + 0 0 4 -3,-2.0 15,-2.2 1,-0.2 16,-0.4 -0.716 57.9 140.6 -97.8 84.0 -11.8 42.7 -13.4 84 84 A Q + 0 0 121 -2,-1.3 -1,-0.2 14,-0.2 16,-0.2 0.506 14.5 135.7-105.2 -16.8 -14.1 41.3 -16.1 85 85 A T - 0 0 61 -3,-0.2 11,-3.2 10,-0.1 2,-0.4 -0.062 27.0-173.4 -50.3 137.4 -12.1 39.5 -18.8 86 86 A I E -E 95 0C 28 9,-0.2 2,-0.3 17,-0.0 9,-0.3 -0.994 14.8-170.0-129.6 123.7 -12.9 36.1 -20.3 87 87 A E E -E 94 0C 95 7,-4.3 7,-1.8 -2,-0.4 2,-0.4 -0.887 23.6-131.6-126.3 153.8 -10.4 34.5 -22.8 88 88 A R E +E 93 0C 154 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.748 27.4 167.5 -91.0 133.0 -10.0 31.6 -25.2 89 89 A N E > -E 92 0C 79 3,-1.5 3,-1.9 1,-0.5 2,-0.2 -0.485 59.8 -77.4-149.6 78.9 -6.9 29.5 -24.9 90 90 A N T 3 S- 0 0 107 1,-0.3 -1,-0.5 -2,-0.1 0, 0.0 -0.520 112.9 -16.6 57.5-127.4 -7.0 26.2 -26.9 91 91 A T T 3 S+ 0 0 43 -2,-0.2 96,-1.3 -3,-0.1 2,-0.4 0.465 126.5 92.4 -82.3 2.5 -9.2 23.8 -24.8 92 92 A Q E < -EF 89 186C 46 -3,-1.9 -3,-1.5 94,-0.2 2,-0.5 -0.781 61.8-149.5-108.0 141.1 -8.7 26.1 -21.8 93 93 A I E -EF 88 185C 0 92,-2.3 92,-3.1 -2,-0.4 2,-0.5 -0.894 8.1-168.4-109.6 126.1 -10.8 29.0 -20.4 94 94 A V E +EF 87 184C 36 -7,-1.8 -7,-4.3 -2,-0.5 2,-0.3 -0.973 13.6 171.3-112.9 125.7 -9.3 32.0 -18.5 95 95 A A E -EF 86 183C 0 88,-2.4 88,-3.5 -2,-0.5 -9,-0.2 -0.994 30.5-119.2-136.2 140.6 -11.7 34.4 -16.7 96 96 A M E > - 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