==== 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 3SWE . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR J.-Y.ZHU,E.SCHONBRUNN . 420 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 1 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 . 35 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 3 0 1 4 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 7 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 6 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 0 126 0, 0.0 419,-1.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 107.3 6.7 2.9 -35.9 2 2 A D E -A 419 0A 67 417,-0.2 392,-1.2 390,-0.1 391,-0.6 -0.357 360.0-179.6 -72.1 148.5 9.5 5.4 -35.2 3 3 A K E -AB 418 392A 41 415,-2.5 415,-2.5 390,-0.2 2,-0.4 -0.922 24.8-121.9-139.6 162.2 12.4 4.6 -32.9 4 4 A F E -AB 417 391A 0 387,-2.4 387,-2.1 -2,-0.3 2,-0.6 -0.902 13.0-155.2-107.8 137.7 15.5 6.3 -31.7 5 5 A R E -AB 416 390A 62 411,-2.6 411,-2.6 -2,-0.4 2,-0.4 -0.976 22.1-174.6-108.4 119.2 18.9 4.8 -32.4 6 6 A V E -AB 415 389A 0 383,-3.4 383,-3.3 -2,-0.6 2,-0.6 -0.973 18.2-160.1-122.6 133.0 21.2 6.3 -29.7 7 7 A Y E -AB 414 388A 98 407,-2.5 407,-0.7 -2,-0.4 381,-0.2 -0.947 26.4-163.6-110.7 114.3 25.0 5.8 -29.3 8 8 A G + 0 0 14 379,-1.8 376,-0.3 -2,-0.6 375,-0.2 0.169 50.6 86.8 -87.7-160.8 26.1 6.5 -25.8 9 9 A Q + 0 0 155 374,-0.5 2,-0.3 1,-0.2 375,-0.2 0.966 65.9 118.9 71.3 58.8 29.2 7.2 -23.7 10 10 A S - 0 0 28 373,-0.9 2,-0.3 404,-0.0 -1,-0.2 -0.976 63.5-121.8-151.5 133.7 29.3 11.0 -24.2 11 11 A R - 0 0 141 -2,-0.3 2,-0.7 237,-0.1 237,-0.1 -0.637 27.7-130.5 -80.8 137.5 29.0 13.8 -21.6 12 12 A L + 0 0 0 231,-0.5 2,-0.3 -2,-0.3 400,-0.2 -0.791 43.2 152.0 -91.9 114.5 26.1 16.1 -22.3 13 13 A S + 0 0 46 398,-1.8 2,-0.3 -2,-0.7 238,-0.3 -0.989 21.0 57.4-143.0 149.2 27.2 19.7 -22.3 14 14 A G E S-d 251 0B 30 236,-2.5 238,-2.8 -2,-0.3 2,-0.4 -0.916 77.2 -40.4 135.4-161.9 26.1 23.0 -23.8 15 15 A S E -d 252 0B 60 395,-0.3 2,-0.4 -2,-0.3 238,-0.2 -0.861 42.2-179.2-111.9 142.3 23.1 25.2 -24.2 16 16 A V E -d 253 0B 7 236,-2.4 238,-2.9 -2,-0.4 2,-0.5 -0.998 24.5-127.9-138.8 140.2 19.5 24.4 -24.7 17 17 A N E -d 254 0B 100 -2,-0.4 2,-0.3 236,-0.2 238,-0.1 -0.793 21.9-139.3 -91.3 126.8 16.5 26.6 -25.1 18 18 A I - 0 0 5 236,-2.4 2,-0.1 -2,-0.5 3,-0.1 -0.651 17.3-149.9 -85.1 137.7 13.6 25.9 -22.8 19 19 A S - 0 0 7 -2,-0.3 214,-2.8 1,-0.2 217,-0.1 -0.384 33.2 -70.8 -98.0 177.8 10.1 26.1 -24.3 20 20 A G B -G 232 0C 0 23,-1.0 -1,-0.2 212,-0.3 2,-0.1 -0.369 65.1 -86.0 -67.9 149.6 6.7 27.0 -22.8 21 21 A A >> - 0 0 0 210,-3.4 4,-2.7 1,-0.2 3,-1.6 -0.343 27.3-147.4 -59.7 123.6 5.2 24.5 -20.4 22 22 A K H 3> S+ 0 0 11 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.944 100.6 51.9 -54.9 -45.2 3.2 21.9 -22.2 23 23 A N H 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.322 110.3 45.6 -80.6 10.6 0.9 21.7 -19.2 24 24 A A H <> S+ 0 0 0 -3,-1.6 4,-2.3 207,-0.1 -1,-0.2 0.627 112.4 52.0-110.9 -42.5 0.3 25.5 -19.0 25 25 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.902 107.5 52.8 -61.2 -42.3 -0.3 25.7 -22.7 26 26 A L H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.950 113.2 40.3 -61.6 -52.3 -2.9 22.8 -22.6 27 27 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.858 115.6 53.5 -65.7 -32.1 -5.1 24.3 -19.9 28 28 A I H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.919 106.8 51.5 -67.6 -40.1 -4.7 27.8 -21.4 29 29 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -3,-0.1 0.868 114.4 42.6 -63.9 -38.2 -5.8 26.5 -24.8 30 30 A F H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 4,-0.2 0.872 110.7 55.1 -74.5 -37.2 -9.0 24.9 -23.3 31 31 A A H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.782 93.5 73.5 -63.8 -25.6 -9.6 28.0 -21.1 32 32 A A G >< S+ 0 0 0 -4,-1.3 3,-1.9 1,-0.3 -1,-0.3 0.683 73.1 80.8 -63.3 -16.6 -9.5 29.8 -24.4 33 33 A I G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.791 89.1 58.8 -59.7 -22.1 -13.0 28.4 -25.1 34 34 A L G < S+ 0 0 1 -3,-2.0 189,-0.7 -4,-0.2 2,-0.3 0.638 81.7 107.9 -80.4 -16.2 -14.1 31.2 -22.9 35 35 A A B < -h 223 0D 0 -3,-1.9 41,-0.3 -4,-0.2 189,-0.2 -0.501 42.0-176.8 -76.0 128.3 -12.6 34.0 -25.0 36 36 A T S S+ 0 0 35 187,-1.5 189,-0.2 188,-0.5 188,-0.2 0.458 73.4 48.0 -95.6 -5.5 -14.9 36.2 -27.0 37 37 A E S S- 0 0 105 187,-2.5 39,-0.3 1,-0.1 189,-0.2 -0.878 104.5 -65.5-129.7 163.8 -12.1 38.1 -28.6 38 38 A P - 0 0 89 0, 0.0 188,-0.6 0, 0.0 2,-0.4 -0.050 44.9-155.3 -51.0 150.0 -8.8 37.1 -30.4 39 39 A V E -Ij 74 226E 6 35,-2.2 35,-2.9 186,-0.2 2,-0.5 -0.975 7.9-167.0-128.3 139.2 -6.1 35.3 -28.5 40 40 A K E -Ij 73 227E 77 186,-2.4 188,-2.9 -2,-0.4 2,-0.5 -0.979 6.9-172.1-130.5 120.6 -2.3 35.2 -29.3 41 41 A L E -Ij 72 228E 0 31,-2.9 31,-2.9 -2,-0.5 3,-0.3 -0.951 3.2-173.2-115.6 127.1 -0.1 32.7 -27.5 42 42 A T E + j 0 229E 36 186,-2.3 188,-2.3 -2,-0.5 29,-0.1 -0.747 64.9 35.1-113.0 167.6 3.6 32.7 -27.8 43 43 A N S S+ 0 0 63 -2,-0.3 -23,-1.0 1,-0.2 -1,-0.2 0.735 73.9 154.8 62.9 24.3 6.3 30.3 -26.5 44 44 A V - 0 0 5 26,-0.3 -1,-0.2 -3,-0.3 -23,-0.1 -0.756 44.5-122.0 -84.1 114.9 3.8 27.4 -27.1 45 45 A P - 0 0 0 0, 0.0 2,-1.0 0, 0.0 5,-0.1 -0.068 15.5-118.9 -55.1 155.7 6.0 24.2 -27.6 46 46 A E + 0 0 87 4,-0.1 357,-0.4 3,-0.0 2,-0.3 -0.829 63.9 122.0-101.1 93.7 5.7 22.2 -30.8 47 47 A L S >> S- 0 0 12 -2,-1.0 3,-1.7 355,-0.1 4,-1.4 -0.985 73.3 -95.9-153.4 157.3 4.5 18.8 -29.7 48 48 A K H 3> S+ 0 0 94 350,-1.6 4,-2.7 -2,-0.3 5,-0.2 0.755 114.7 61.2 -42.7 -46.0 1.7 16.3 -30.3 49 49 A D H 3> S+ 0 0 2 350,-0.8 4,-2.1 1,-0.2 -1,-0.3 0.861 105.5 49.2 -55.2 -37.2 -0.4 17.3 -27.3 50 50 A I H <> S+ 0 0 0 -3,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.946 111.0 49.7 -68.2 -46.2 -0.7 20.8 -28.7 51 51 A E H X S+ 0 0 75 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.883 110.9 49.6 -58.5 -40.0 -1.7 19.4 -32.1 52 52 A T H X S+ 0 0 5 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.906 110.3 50.7 -66.6 -41.4 -4.4 17.2 -30.5 53 53 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.915 107.6 52.7 -63.6 -42.9 -5.8 20.1 -28.6 54 54 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.869 107.1 53.3 -60.7 -35.6 -6.0 22.2 -31.7 55 55 A K H X S+ 0 0 103 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.875 110.5 47.0 -66.0 -37.9 -8.0 19.4 -33.4 56 56 A I H < S+ 0 0 0 -4,-1.7 4,-0.2 2,-0.2 -2,-0.2 0.919 113.2 48.6 -70.2 -42.7 -10.4 19.3 -30.5 57 57 A L H >X>S+ 0 0 1 -4,-2.7 3,-2.1 1,-0.2 5,-1.9 0.943 107.7 54.2 -63.5 -47.1 -10.8 23.1 -30.6 58 58 A R H ><5S+ 0 0 91 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.889 103.8 54.9 -57.6 -40.0 -11.3 23.3 -34.3 59 59 A Q T 3<5S+ 0 0 64 -4,-1.6 -1,-0.3 1,-0.3 24,-0.2 0.476 101.9 58.8 -75.7 3.3 -14.2 20.8 -34.2 60 60 A L T <45S- 0 0 0 -3,-2.1 20,-1.9 -4,-0.2 21,-1.7 0.533 129.6 -97.0 -98.3 -12.2 -15.9 23.0 -31.6 61 61 A G T <<5S+ 0 0 20 -3,-1.5 2,-0.3 -4,-0.6 17,-0.3 0.467 79.6 140.2 109.2 4.4 -15.9 25.9 -34.2 62 62 A V < - 0 0 5 -5,-1.9 2,-0.6 -6,-0.2 -1,-0.4 -0.640 45.0-144.8 -79.7 135.6 -12.7 27.6 -32.9 63 63 A V E +K 75 0E 94 12,-2.8 12,-3.5 -2,-0.3 2,-0.3 -0.923 37.2 152.5-100.8 120.3 -10.4 28.9 -35.6 64 64 A V E +K 74 0E 1 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.972 10.2 155.7-153.9 136.8 -6.8 28.4 -34.4 65 65 A D E -K 73 0E 87 8,-1.9 8,-2.7 -2,-0.3 2,-0.5 -0.985 40.8-115.6-157.0 152.1 -3.4 27.9 -36.1 66 66 A R E -K 72 0E 55 -2,-0.3 6,-0.3 6,-0.3 5,-0.1 -0.824 37.5-147.8 -89.5 128.2 0.2 28.5 -35.4 67 67 A D > - 0 0 59 4,-2.6 3,-1.5 -2,-0.5 -1,-0.0 -0.242 33.9 -84.1 -87.3-173.0 1.6 31.1 -37.8 68 68 A A T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.561 126.0 61.0 -69.0 -12.5 5.2 31.3 -39.3 69 69 A T T 3 S- 0 0 113 2,-0.2 -1,-0.3 -27,-0.0 3,-0.1 0.614 118.1-111.3 -86.3 -13.4 6.5 33.1 -36.2 70 70 A G S < S+ 0 0 20 -3,-1.5 -26,-0.3 1,-0.4 -2,-0.1 0.245 75.3 134.3 102.1 -13.6 5.5 30.1 -34.1 71 71 A A - 0 0 3 -5,-0.1 -4,-2.6 -29,-0.1 2,-0.6 -0.357 54.6-130.8 -69.8 149.0 2.8 32.1 -32.3 72 72 A V E -IK 41 66E 0 -31,-2.9 -31,-2.9 -6,-0.3 2,-0.5 -0.922 20.0-162.4-106.1 117.4 -0.7 30.4 -31.9 73 73 A L E -IK 40 65E 75 -8,-2.7 -8,-1.9 -2,-0.6 2,-0.4 -0.886 11.8-172.6-103.4 127.1 -3.5 32.7 -33.0 74 74 A L E -IK 39 64E 6 -35,-2.9 -35,-2.2 -2,-0.5 2,-0.5 -0.969 18.8-174.9-130.0 135.0 -6.9 31.7 -31.8 75 75 A D E + K 0 63E 59 -12,-3.5 -12,-2.8 -2,-0.4 3,-0.3 -0.932 13.3 163.1-128.6 107.6 -10.4 32.9 -32.4 76 76 A A > + 0 0 0 -2,-0.5 3,-0.9 -39,-0.3 -1,-0.1 0.135 40.9 116.0-106.2 16.3 -13.2 31.3 -30.3 77 77 A S T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -14,-0.1 -15,-0.1 0.720 80.5 38.5 -59.3 -22.0 -15.8 34.0 -31.1 78 78 A N T 3 + 0 0 110 -17,-0.3 2,-0.3 -3,-0.3 -1,-0.2 -0.335 66.7 166.0-131.6 56.7 -18.1 31.4 -32.9 79 79 A I < + 0 0 10 -3,-0.9 -18,-0.3 1,-0.1 3,-0.1 -0.549 2.1 167.6 -69.9 127.7 -18.1 28.0 -31.2 80 80 A N + 0 0 80 -20,-1.9 2,-0.4 -2,-0.3 -19,-0.2 0.323 56.7 59.1-125.8 4.7 -21.1 26.1 -32.6 81 81 A H - 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