==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUN-11 3SG1 . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.MINASOV,A.HALAVATY,E.V.FILIPPOVA,L.SHUVALOVA,I.DUBROVSKA,J . 1676 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1254 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 271 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 14 0.8 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 0.2 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 . 171 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 187 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 399 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.8 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 7 5 8 6 5 9 8 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 17 9 14 4 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 . 5 3 5 15 18 7 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 22 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 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 0 133 0, 0.0 2,-0.2 0, 0.0 418,-0.1 0.000 360.0 360.0 360.0 155.0 38.7 31.6 16.3 2 2 A E + 0 0 69 414,-0.0 391,-0.6 416,-0.0 2,-0.3 -0.535 360.0 168.9 -77.9 134.8 38.3 30.6 12.7 3 3 A K E -A 417 0A 42 414,-1.5 414,-2.2 -2,-0.2 2,-0.5 -0.968 34.2-121.2-147.9 163.7 35.6 32.6 10.7 4 4 A I E -AB 416 390A 0 386,-1.8 386,-2.2 -2,-0.3 2,-0.5 -0.909 21.2-156.4-107.5 129.9 34.2 33.4 7.3 5 5 A I E -AB 415 389A 48 410,-1.8 410,-0.9 -2,-0.5 2,-0.3 -0.932 15.8-177.9-110.3 120.1 34.1 36.9 6.0 6 6 A V E +AB 414 388A 0 382,-3.3 382,-2.9 -2,-0.5 2,-0.2 -0.843 10.3 144.6-118.5 154.4 31.5 37.8 3.4 7 7 A R + 0 0 118 406,-1.3 406,-0.5 -2,-0.3 3,-0.3 -0.838 23.0 59.6-159.7-164.4 30.7 40.9 1.4 8 8 A G - 0 0 20 -2,-0.2 376,-0.2 1,-0.2 404,-0.0 0.427 67.1-103.9 51.8 170.5 29.6 42.6 -1.8 9 9 A G + 0 0 73 374,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.400 62.6 154.8-121.5 47.0 26.4 42.4 -3.8 10 10 A K - 0 0 125 -3,-0.3 2,-0.3 372,-0.2 239,-0.1 -0.547 45.7-120.1 -79.5 142.3 28.0 40.2 -6.5 11 11 A R - 0 0 141 -2,-0.2 2,-0.7 237,-0.1 237,-0.1 -0.671 25.6-127.9 -81.9 136.5 25.8 38.0 -8.6 12 12 A L + 0 0 1 -2,-0.3 238,-1.3 231,-0.3 2,-0.4 -0.777 36.3 170.0 -89.9 117.8 26.8 34.3 -8.2 13 13 A N E +d 250 0B 90 397,-2.1 2,-0.3 -2,-0.7 238,-0.2 -0.992 29.1 52.4-132.4 127.8 27.3 32.7 -11.6 14 14 A G E S-d 251 0B 27 236,-2.2 238,-2.9 -2,-0.4 2,-0.3 -0.995 76.1 -53.6 154.4-158.4 28.8 29.3 -12.3 15 15 A T E -d 252 0B 76 -2,-0.3 2,-0.3 236,-0.2 238,-0.2 -0.919 38.3-173.6-122.0 147.7 28.7 25.6 -11.6 16 16 A V E -d 253 0B 5 236,-2.5 238,-0.8 -2,-0.3 2,-0.5 -0.981 14.7-144.2-140.0 148.0 28.8 23.7 -8.3 17 17 A R - 0 0 137 -2,-0.3 236,-0.1 236,-0.2 2,-0.0 -0.963 18.0-140.2-120.4 117.6 29.0 20.1 -7.4 18 18 A V - 0 0 4 -2,-0.5 2,-0.1 1,-0.1 3,-0.1 -0.321 16.1-127.5 -71.5 153.7 27.1 18.8 -4.4 19 19 A E - 0 0 39 1,-0.2 214,-2.7 214,-0.1 218,-0.1 -0.269 42.2 -68.1 -89.9-179.5 28.6 16.2 -2.0 20 20 A G B -G 232 0C 3 24,-0.4 2,-0.3 212,-0.3 -1,-0.2 -0.384 69.8 -83.8 -67.6 152.9 27.1 12.9 -0.8 21 21 A A >> - 0 0 0 210,-3.2 4,-2.6 1,-0.1 3,-0.9 -0.420 30.8-155.9 -67.4 123.9 24.1 13.4 1.5 22 22 A K H 3> S+ 0 0 15 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.977 95.0 51.9 -58.3 -58.0 25.0 14.0 5.2 23 23 A N H 34 S+ 0 0 42 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.494 115.2 43.2 -62.2 -3.7 21.7 12.7 6.4 24 24 A A H <> S+ 0 0 0 -3,-0.9 4,-2.0 207,-0.1 -1,-0.2 0.755 110.3 51.2-106.2 -43.4 22.0 9.5 4.4 25 25 A V H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.889 103.6 59.9 -64.7 -38.7 25.7 8.6 5.0 26 26 A L H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.958 112.6 35.4 -56.6 -57.1 25.4 8.9 8.8 27 27 A P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.844 117.2 56.2 -66.2 -31.6 22.7 6.2 9.2 28 28 A I H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.938 106.9 47.8 -64.0 -46.8 24.3 4.2 6.3 29 29 A I H >< S+ 0 0 0 -4,-3.3 3,-0.9 1,-0.2 4,-0.4 0.944 112.6 50.8 -58.2 -45.1 27.7 4.1 8.1 30 30 A A H >< S+ 0 0 2 -4,-2.0 3,-1.5 -5,-0.3 -1,-0.2 0.882 105.6 55.7 -58.0 -40.7 25.8 3.0 11.2 31 31 A A H >< S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.3 4,-0.4 0.753 88.3 77.9 -65.2 -24.2 24.0 0.3 9.2 32 32 A A G X< S+ 0 0 0 -4,-1.3 3,-1.4 -3,-0.9 -1,-0.3 0.767 78.2 73.4 -56.1 -26.9 27.4 -1.1 8.2 33 33 A L G < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.658 85.1 66.6 -61.4 -17.8 27.5 -2.6 11.7 34 34 A L G < S+ 0 0 0 -3,-2.5 2,-1.0 -4,-0.1 189,-0.7 0.771 76.7 94.5 -74.3 -27.5 25.0 -5.1 10.5 35 35 A A B < +h 223 0D 1 -3,-1.4 41,-0.5 -4,-0.4 189,-0.2 -0.544 48.3 178.9 -72.5 100.2 27.4 -6.7 8.1 36 36 A S + 0 0 31 187,-1.1 2,-0.2 -2,-1.0 -1,-0.2 0.455 65.7 50.8 -80.6 -0.4 28.9 -9.7 9.9 37 37 A D S S- 0 0 87 186,-0.5 -1,-0.3 41,-0.0 188,-0.3 -0.612 103.2 -20.8 173.5 123.3 31.0 -10.6 6.8 38 38 A G S S- 0 0 22 186,-0.4 38,-0.8 -2,-0.2 2,-0.4 -0.340 81.3 -46.4-113.0 -82.0 32.8 -9.1 5.0 39 39 A K E -I 75 0E 115 186,-0.2 2,-0.4 36,-0.2 36,-0.2 -0.949 30.1-147.8-124.6 134.5 33.4 -5.4 4.1 40 40 A N E -I 74 0E 1 34,-2.2 34,-2.5 -2,-0.4 2,-0.5 -0.745 11.3-160.4 -90.4 137.4 31.2 -2.5 3.2 41 41 A V E -Ij 73 227E 33 185,-3.2 187,-1.8 -2,-0.4 2,-0.5 -0.900 7.7-166.9-124.3 101.3 32.6 -0.0 0.7 42 42 A L E -Ij 72 228E 0 30,-2.2 30,-1.8 -2,-0.5 3,-0.3 -0.779 6.3-162.6 -92.4 124.2 30.8 3.3 0.8 43 43 A S E +Ij 71 229E 27 185,-3.5 187,-2.8 -2,-0.5 28,-0.2 -0.718 64.1 30.5-107.5 157.8 31.4 5.8 -2.0 44 44 A E S S+ 0 0 103 26,-0.7 -24,-0.4 -2,-0.3 -1,-0.2 0.778 75.3 164.0 68.6 30.7 30.8 9.5 -2.3 45 45 A V - 0 0 0 25,-2.3 -1,-0.2 -3,-0.3 2,-0.2 -0.703 32.3-132.0 -83.4 123.9 31.3 10.0 1.4 46 46 A P - 0 0 1 0, 0.0 2,-2.3 0, 0.0 5,-0.1 -0.469 16.4-116.3 -77.5 145.0 31.8 13.7 2.3 47 47 A V + 0 0 65 -2,-0.2 2,-0.3 4,-0.1 353,-0.1 -0.402 60.1 152.3 -78.9 65.7 34.7 14.8 4.7 48 48 A L > - 0 0 3 -2,-2.3 4,-1.7 1,-0.1 3,-0.5 -0.678 57.7-122.0 -97.4 151.2 32.3 16.1 7.3 49 49 A S H > S+ 0 0 43 348,-1.9 4,-2.3 -2,-0.3 3,-0.2 0.922 114.9 56.3 -56.9 -43.1 33.1 16.3 11.0 50 50 A D H > S+ 0 0 3 348,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.853 102.2 55.5 -58.4 -35.1 30.1 14.1 11.7 51 51 A V H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.915 108.5 48.3 -63.9 -40.4 31.5 11.4 9.4 52 52 A Y H X S+ 0 0 128 -4,-1.7 4,-1.9 -3,-0.2 -2,-0.2 0.916 112.7 48.8 -64.8 -40.2 34.7 11.4 11.5 53 53 A T H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.937 110.8 48.1 -65.2 -48.3 32.6 11.2 14.6 54 54 A I H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.858 110.1 54.2 -61.9 -35.0 30.5 8.3 13.4 55 55 A N H X S+ 0 0 1 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.904 108.3 48.4 -65.5 -41.8 33.6 6.5 12.2 56 56 A E H X S+ 0 0 89 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.917 107.6 55.1 -64.1 -43.6 35.2 6.7 15.7 57 57 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.956 108.3 49.6 -52.8 -51.1 32.0 5.5 17.3 58 58 A L H <>S+ 0 0 0 -4,-2.1 5,-1.4 1,-0.2 -1,-0.2 0.879 110.1 49.4 -56.2 -40.2 32.2 2.4 15.0 59 59 A R H ><5S+ 0 0 91 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.912 108.3 53.9 -66.0 -38.6 35.9 1.9 16.0 60 60 A H H 3<5S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.821 104.5 55.1 -62.5 -31.4 34.8 2.2 19.7 61 61 A L T 3<5S- 0 0 0 -4,-1.8 20,-1.6 -5,-0.2 -1,-0.3 0.322 130.3-100.9 -83.2 7.2 32.3 -0.6 18.9 62 62 A N T < 5S+ 0 0 65 -3,-2.0 2,-0.4 1,-0.3 16,-0.2 0.892 79.1 131.9 75.3 45.9 35.2 -2.7 17.7 63 63 A A < - 0 0 4 -5,-1.4 2,-0.4 -8,-0.1 -1,-0.3 -0.964 56.1-122.6-125.7 142.0 34.9 -2.2 13.9 64 64 A E E -K 75 0E 111 11,-2.0 11,-2.4 -2,-0.4 2,-0.4 -0.720 31.2-178.0 -85.7 132.0 37.7 -1.3 11.5 65 65 A V E -K 74 0E 9 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.981 9.2-175.6-134.8 119.9 36.9 1.8 9.5 66 66 A V E -K 73 0E 89 7,-2.3 7,-3.1 -2,-0.4 2,-0.5 -0.979 6.0-168.6-117.5 123.1 39.3 3.3 6.8 67 67 A F E +K 72 0E 38 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.956 22.3 146.1-117.0 116.7 38.2 6.6 5.3 68 68 A E E > -K 71 0E 134 3,-2.9 3,-1.5 -2,-0.5 -2,-0.1 -0.994 61.4 -1.7-151.4 144.3 40.1 7.7 2.1 69 69 A N T 3 S- 0 0 143 -2,-0.3 -25,-0.2 1,-0.3 -24,-0.1 0.859 131.1 -49.2 39.3 53.8 39.4 9.6 -1.1 70 70 A N T 3 S+ 0 0 65 1,-0.2 -25,-2.3 -26,-0.1 -26,-0.7 0.789 118.3 114.0 59.8 30.4 35.7 10.0 -0.2 71 71 A Q E < -IK 43 68E 81 -3,-1.5 -3,-2.9 -28,-0.2 2,-0.6 -0.997 49.7-160.6-136.7 133.6 35.4 6.3 0.6 72 72 A V E -IK 42 67E 0 -30,-1.8 -30,-2.2 -2,-0.4 2,-0.6 -0.942 6.3-163.8-115.5 111.1 34.7 4.5 3.9 73 73 A T E -IK 41 66E 42 -7,-3.1 -7,-2.3 -2,-0.6 2,-0.4 -0.853 14.4-168.4 -95.2 118.1 35.7 0.8 4.1 74 74 A I E -IK 40 65E 2 -34,-2.5 -34,-2.2 -2,-0.6 2,-0.5 -0.908 15.1-172.9-116.0 136.6 34.1 -0.9 7.0 75 75 A D E +IK 39 64E 23 -11,-2.4 -11,-2.0 -2,-0.4 3,-0.2 -0.976 14.2 163.3-127.1 113.2 34.7 -4.3 8.5 76 76 A A + 0 0 1 -38,-0.8 4,-0.1 -41,-0.5 -37,-0.1 -0.205 36.9 120.1-120.2 38.3 32.4 -5.5 11.3 77 77 A S + 0 0 54 -39,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.757 58.2 72.6 -77.1 -26.5 33.3 -9.2 11.1 78 78 A K S S- 0 0 66 -16,-0.2 2,-0.1 -3,-0.2 -41,-0.0 -0.456 104.8 -80.0 -84.1 164.4 34.5 -9.4 14.8 79 79 A E - 0 0 155 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.432 53.8-132.1 -65.9 135.7 32.0 -9.4 17.7 80 80 A L - 0 0 4 -4,-0.1 -18,-0.2 -2,-0.1 2,-0.1 -0.382 8.2-119.8 -87.6 164.0 31.0 -5.8 18.4 81 81 A N - 0 0 82 -20,-1.6 25,-0.1 -2,-0.1 -1,-0.1 -0.388 15.3-138.9 -90.6 176.8 30.8 -4.0 21.8 82 82 A I + 0 0 58 -2,-0.1 28,-2.5 27,-0.1 2,-0.4 0.659 66.2 89.3-115.0 -19.5 27.5 -2.5 23.1 83 83 A E E -l 110 0F 64 26,-0.2 28,-0.2 -23,-0.1 -2,-0.1 -0.694 42.3-174.3 -94.6 132.6 28.3 0.9 24.6 84 84 A A E -l 111 0F 0 26,-2.1 28,-1.8 -2,-0.4 5,-0.1 -0.913 32.0-138.3-118.3 96.5 28.3 4.3 22.8 85 85 A P >> - 0 0 8 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.082 16.0-109.3 -57.9 166.1 29.6 6.8 25.4 86 86 A F H 3> S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.777 108.3 70.8 -67.6 -31.9 28.3 10.3 26.1 87 87 A E H 3> S+ 0 0 97 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.852 107.9 37.5 -57.0 -33.9 31.3 12.1 24.6 88 88 A Y H <> S+ 0 0 44 -3,-0.7 4,-3.2 2,-0.2 -1,-0.2 0.898 114.8 53.3 -82.9 -42.4 30.2 11.1 21.1 89 89 A V H < S+ 0 0 2 -4,-1.5 26,-0.3 1,-0.2 -2,-0.2 0.808 109.4 48.5 -64.5 -31.2 26.5 11.5 21.7 90 90 A R H < S+ 0 0 127 -4,-2.6 3,-0.2 1,-0.1 -1,-0.2 0.912 115.4 44.6 -75.1 -40.7 26.8 15.1 22.9 91 91 A K H < S+ 0 0 143 -4,-0.9 2,-0.4 -5,-0.3 -2,-0.2 0.944 131.1 19.3 -64.6 -49.5 29.0 16.0 20.0 92 92 A M >< - 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