==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUL-11 3SWA . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR H.HAN,J.-Y.ZHU,E.SCHONBRUNN . 838 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 655 78.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 8 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 . 2 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 . 95 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 3 3 2 6 2 2 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 2 6 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 . 2 0 4 5 14 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 12 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 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 88 0, 0.0 391,-0.1 0, 0.0 416,-0.1 0.000 360.0 360.0 360.0 114.7 37.9 -20.6 -44.6 2 2 A D - 0 0 43 418,-0.1 391,-1.4 417,-0.1 390,-0.6 -0.237 360.0-173.3 -61.6 149.6 35.1 -23.2 -44.9 3 3 A K E -AB 391 417A 44 414,-2.7 414,-2.7 389,-0.2 2,-0.6 -0.943 24.4-121.5-140.3 158.4 31.9 -22.9 -43.0 4 4 A F E -AB 390 416A 0 386,-2.5 386,-3.0 -2,-0.3 2,-0.7 -0.928 18.9-159.0-103.2 118.5 28.9 -24.9 -42.4 5 5 A R E -AB 389 415A 90 410,-3.8 410,-2.3 -2,-0.6 2,-0.5 -0.900 17.7-172.4 -94.1 117.5 25.7 -23.4 -43.4 6 6 A V E -AB 388 414A 0 382,-4.0 382,-3.7 -2,-0.7 2,-0.5 -0.957 15.0-158.6-119.2 132.8 22.9 -25.1 -41.6 7 7 A Q E -AB 387 413A 59 406,-2.8 406,-0.7 -2,-0.5 380,-0.2 -0.927 34.8-119.7-104.9 122.8 19.2 -24.7 -42.0 8 8 A G E +A 386 0A 13 378,-2.9 378,-2.4 -2,-0.5 375,-0.2 -0.821 65.6 40.3-129.5 175.6 17.0 -25.7 -39.1 9 9 A P + 0 0 54 0, 0.0 2,-0.4 0, 0.0 374,-0.3 0.392 63.0 152.9 -86.6 145.9 15.0 -27.0 -37.4 10 10 A T - 0 0 28 372,-2.2 2,-0.3 -2,-0.1 402,-0.1 -0.989 42.7-127.6-138.3 126.4 15.4 -30.5 -38.6 11 11 A R - 0 0 115 -2,-0.4 2,-0.8 236,-0.1 236,-0.1 -0.546 26.7-135.7 -66.6 130.5 14.7 -33.6 -36.7 12 12 A L + 0 0 0 230,-0.4 237,-0.3 -2,-0.3 2,-0.3 -0.842 43.3 145.4 -94.8 111.5 17.8 -35.8 -36.8 13 13 A Q + 0 0 100 397,-2.7 2,-0.4 -2,-0.8 237,-0.2 -0.984 22.2 52.9-145.6 154.9 16.8 -39.4 -37.6 14 14 A G E S-d 250 0B 34 235,-2.4 237,-1.7 -2,-0.3 2,-0.3 -0.984 80.7 -42.1 130.2-139.4 18.0 -42.5 -39.3 15 15 A E E -d 251 0B 93 -2,-0.4 2,-0.3 394,-0.3 237,-0.2 -0.950 37.4-171.1-134.9 155.4 21.2 -44.4 -39.2 16 16 A V E -d 252 0B 6 235,-2.2 237,-3.4 -2,-0.3 2,-0.6 -0.991 19.4-136.9-143.0 142.7 24.9 -43.6 -39.1 17 17 A T E -d 253 0B 75 -2,-0.3 2,-0.2 235,-0.2 237,-0.2 -0.933 28.5-128.5-104.0 119.1 27.9 -45.9 -39.3 18 18 A I - 0 0 1 235,-3.0 3,-0.1 -2,-0.6 215,-0.1 -0.457 19.1-135.4 -70.7 129.5 30.5 -45.0 -36.8 19 19 A S - 0 0 12 -2,-0.2 213,-2.8 1,-0.2 217,-0.1 -0.284 37.2 -77.9 -74.9 165.6 34.0 -44.5 -38.0 20 20 A G B -G 231 0C 1 211,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.322 65.2 -85.8 -63.2 150.2 37.1 -45.9 -36.4 21 21 A A >> - 0 0 0 209,-3.4 4,-3.1 1,-0.2 3,-1.6 -0.427 27.0-154.2 -65.0 118.5 38.1 -43.9 -33.3 22 22 A K H 3> S+ 0 0 11 -2,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.916 97.9 57.1 -53.6 -41.6 40.3 -40.9 -34.1 23 23 A N H 34 S+ 0 0 28 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.511 113.1 36.5 -69.7 -11.6 41.6 -41.3 -30.6 24 24 A A H <> S+ 0 0 0 -3,-1.6 4,-2.1 206,-0.2 5,-0.2 0.707 113.2 55.1-107.2 -39.0 42.7 -44.9 -31.1 25 25 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.903 107.4 54.5 -59.9 -39.5 43.9 -44.6 -34.7 26 26 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.975 111.3 39.4 -59.4 -58.4 46.2 -41.8 -33.7 27 27 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.833 117.7 52.2 -64.0 -27.5 48.1 -43.5 -30.9 28 28 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.920 106.0 52.2 -72.8 -44.2 48.2 -46.7 -32.9 29 29 A L H < S+ 0 0 0 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.922 114.8 44.1 -54.8 -44.7 49.6 -44.9 -35.9 30 30 A F H >< S+ 0 0 1 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.892 109.4 54.5 -66.3 -42.0 52.3 -43.5 -33.7 31 31 A A H >< S+ 0 0 0 -4,-2.4 3,-3.1 1,-0.3 4,-0.4 0.821 92.5 73.8 -60.5 -31.9 52.9 -46.8 -31.9 32 32 A A G >< S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.3 -1,-0.3 0.701 76.6 78.2 -56.6 -18.0 53.4 -48.2 -35.4 33 33 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.740 89.8 57.3 -59.2 -22.8 56.8 -46.4 -35.2 34 34 A L G < S+ 0 0 0 -3,-3.1 188,-0.7 -4,-0.1 2,-0.4 0.708 84.7 103.3 -78.3 -24.7 57.8 -49.3 -33.0 35 35 A A B < -h 222 0D 0 -3,-1.3 40,-0.4 -4,-0.4 188,-0.2 -0.476 45.6-175.3 -71.5 121.7 57.0 -51.9 -35.7 36 36 A E S S+ 0 0 68 186,-1.9 187,-0.2 -2,-0.4 188,-0.2 0.648 73.1 53.2 -83.4 -16.3 59.9 -53.4 -37.5 37 37 A E S S- 0 0 94 186,-2.2 38,-0.3 1,-0.1 188,-0.1 -0.734 104.3 -64.6-119.9 165.9 57.5 -55.2 -39.8 38 38 A P - 0 0 98 0, 0.0 187,-1.4 0, 0.0 2,-0.4 -0.127 50.7-164.2 -51.9 137.1 54.5 -54.5 -42.0 39 39 A V E -Ij 73 225E 3 34,-3.0 34,-3.1 185,-0.3 2,-0.5 -0.964 12.4-163.9-126.5 139.5 51.5 -53.2 -40.2 40 40 A E E -Ij 72 226E 41 185,-2.6 187,-3.0 -2,-0.4 2,-0.7 -0.986 4.1-168.5-122.3 115.1 47.9 -52.9 -41.3 41 41 A I E -Ij 71 227E 0 30,-3.0 30,-2.9 -2,-0.5 3,-0.4 -0.939 15.4-161.6-106.6 112.9 45.7 -50.6 -39.3 42 42 A Q E + j 0 228E 64 185,-3.3 187,-2.6 -2,-0.7 28,-0.2 -0.488 62.9 28.8 -91.5 160.3 42.1 -51.2 -40.3 43 43 A N S S+ 0 0 28 1,-0.2 -1,-0.2 185,-0.2 27,-0.2 0.861 75.2 165.3 61.6 36.0 39.0 -49.0 -39.8 44 44 A V - 0 0 5 25,-2.1 -1,-0.2 -3,-0.4 -22,-0.1 -0.780 35.3-123.1 -88.2 122.6 41.1 -45.8 -39.8 45 45 A P - 0 0 2 0, 0.0 2,-1.2 0, 0.0 5,-0.1 -0.249 16.2-118.0 -64.5 150.3 38.9 -42.8 -40.2 46 46 A K + 0 0 111 4,-0.1 356,-0.4 21,-0.1 2,-0.3 -0.795 60.9 142.8 -88.8 93.5 39.5 -40.4 -43.0 47 47 A L >> - 0 0 5 -2,-1.2 4,-1.7 354,-0.1 3,-0.7 -0.925 63.8-116.4-131.7 155.8 40.4 -37.3 -40.9 48 48 A K H 3> S+ 0 0 100 349,-2.2 4,-2.9 -2,-0.3 5,-0.2 0.885 115.9 58.6 -59.7 -38.4 42.8 -34.4 -41.3 49 49 A D H 3> S+ 0 0 1 349,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.817 104.0 51.1 -60.1 -32.0 44.5 -35.5 -38.1 50 50 A I H <> S+ 0 0 0 -3,-0.7 4,-3.1 348,-0.3 -1,-0.2 0.905 109.9 50.0 -71.1 -39.9 45.2 -38.9 -39.8 51 51 A D H X S+ 0 0 81 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.938 111.1 48.4 -58.9 -49.5 46.6 -37.1 -42.8 52 52 A T H X S+ 0 0 32 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.906 113.0 48.6 -57.4 -44.1 48.9 -35.0 -40.6 53 53 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.914 110.0 50.5 -63.6 -45.7 49.9 -38.1 -38.8 54 54 A M H X S+ 0 0 25 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.899 111.2 49.3 -59.3 -41.7 50.7 -40.0 -42.0 55 55 A K H X S+ 0 0 136 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.899 110.9 49.6 -63.0 -43.0 52.7 -37.1 -43.2 56 56 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.917 110.3 50.7 -61.2 -47.0 54.6 -36.9 -40.0 57 57 A L H >X>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-0.8 0.932 109.6 50.1 -56.0 -49.7 55.3 -40.7 -40.1 58 58 A T H ><5S+ 0 0 74 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.895 105.0 57.7 -55.8 -44.1 56.6 -40.4 -43.6 59 59 A Q H 3<5S+ 0 0 86 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.806 103.1 55.2 -54.9 -33.2 58.9 -37.6 -42.6 60 60 A L H <<5S- 0 0 0 -4,-1.3 20,-2.5 -3,-0.8 19,-1.7 0.584 131.7 -93.2 -78.0 -12.1 60.4 -40.0 -40.1 61 61 A G T <<5S+ 0 0 10 -3,-1.9 16,-0.3 -4,-0.5 2,-0.2 0.486 79.4 143.3 109.8 8.5 61.2 -42.5 -42.8 62 62 A T < - 0 0 1 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.3 -0.578 49.4-132.5 -80.8 141.5 58.0 -44.5 -42.5 63 63 A K E +K 74 0E 129 11,-3.4 11,-2.6 -2,-0.2 2,-0.4 -0.878 36.5 179.4 -91.9 121.0 56.4 -45.9 -45.6 64 64 A V E +K 73 0E 30 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.984 15.1 158.8-133.2 140.1 52.7 -45.1 -45.4 65 65 A E E -K 72 0E 142 7,-1.8 7,-3.6 -2,-0.4 2,-0.3 -0.970 9.7-178.3-149.0 156.1 49.7 -45.7 -47.5 66 66 A R E K 71 0E 45 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.956 360.0 360.0-151.4 168.1 46.0 -45.7 -47.0 67 67 A X 0 0 61 3,-1.6 4,-0.1 -2,-0.3 -21,-0.1 0.276 360.0 360.0 -85.0 360.0 42.7 -46.3 -48.7 68 ! 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 69 68 A G 0 0 51 0, 0.0 -25,-2.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -35.9 39.9 -48.2 -45.2 70 69 A S - 0 0 13 -27,-0.2 -3,-1.6 -28,-0.2 2,-0.5 -0.582 360.0-132.9-101.2 165.0 43.2 -49.2 -43.7 71 70 A V E -IK 41 66E 0 -30,-2.9 -30,-3.0 -5,-0.2 2,-0.6 -0.989 20.8-149.2-117.6 121.7 46.4 -47.5 -43.2 72 71 A W E -IK 40 65E 104 -7,-3.6 -7,-1.8 -2,-0.5 2,-0.4 -0.871 15.9-166.6 -96.5 125.1 49.4 -49.6 -44.2 73 72 A I E +IK 39 64E 6 -34,-3.1 -34,-3.0 -2,-0.6 2,-0.4 -0.932 20.7 178.1-120.5 135.6 52.6 -48.9 -42.3 74 73 A D E + K 0 63E 53 -11,-2.6 -11,-3.4 -2,-0.4 3,-0.3 -0.889 12.2 162.1-129.1 96.6 56.1 -49.9 -43.0 75 74 A A > + 0 0 0 -2,-0.4 3,-1.3 -40,-0.4 -38,-0.1 0.098 41.7 111.6-102.4 19.8 58.4 -48.4 -40.3 76 75 A S T 3 S+ 0 0 46 1,-0.3 -1,-0.2 -13,-0.1 -14,-0.1 0.856 84.1 39.7 -59.2 -35.3 61.2 -50.8 -41.0 77 76 A N T 3 S+ 0 0 104 -3,-0.3 -1,-0.3 -16,-0.3 2,-0.1 0.038 71.4 150.3-106.6 23.9 63.3 -47.9 -42.3 78 77 A V < + 0 0 7 -3,-1.3 -17,-0.3 1,-0.2 3,-0.1 -0.445 10.0 152.8 -56.8 123.5 62.5 -45.1 -39.9 79 78 A N + 0 0 118 -19,-1.7 2,-0.5 -2,-0.1 -18,-0.2 0.264 44.5 78.0-139.3 4.3 65.7 -43.1 -40.0 80 79 A N - 0 0 64 -20,-2.5 -1,-0.1 1,-0.1 -18,-0.1 -0.977 51.8-174.5-122.4 114.3 64.7 -39.5 -39.2 81 80 A F + 0 0 46 -2,-0.5 28,-1.8 -3,-0.1 2,-0.4 0.063 52.7 92.0-100.8 26.0 64.1 -38.9 -35.5 82 81 A S E -l 109 0F 20 26,-0.2 28,-0.2 -23,-0.2 63,-0.0 -0.979 52.3-161.9-127.6 126.4 62.8 -35.4 -35.6 83 82 A A E -l 110 0F 0 26,-2.9 28,-2.9 -2,-0.4 5,-0.1 -0.887 27.2-146.7-104.1 100.6 59.2 -34.1 -35.9 84 83 A P >> - 0 0 21 0, 0.0 3,-1.7 0, 0.0 4,-1.4 -0.224 21.8-109.3 -67.8 154.7 59.5 -30.5 -37.0 85 84 A Y H >> S+ 0 0 126 1,-0.3 4,-3.0 2,-0.2 3,-0.6 0.877 116.0 60.1 -46.9 -48.5 57.1 -27.7 -36.1 86 85 A D H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.740 110.8 41.5 -55.8 -27.1 55.6 -27.5 -39.5 87 86 A L H <4 S+ 0 0 10 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.699 123.0 35.0 -93.3 -22.7 54.5 -31.1 -39.2 88 87 A V H X< S+ 0 0 0 -4,-1.4 3,-2.8 -3,-0.6 6,-0.3 0.669 87.6 97.8-104.0 -21.1 53.2 -31.1 -35.6 89 88 A K T 3< S+ 0 0 105 -4,-3.0 25,-0.4 1,-0.3 26,-0.3 0.677 85.4 45.0 -41.1 -37.2 51.8 -27.6 -35.3 90 89 A T T 3 S+ 0 0 69 -4,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.499 110.1 58.6 -90.9 -0.4 48.2 -28.5 -36.0 91 90 A M X - 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