==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUN-05 1VRV . COMPND 2 MOLECULE: MANNITOL-SPECIFIC PTS SYSTEM ENZYME IIABC COMPONE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.Y.SUH,C.TANG,M.CAI,G.M.CLORE . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 375 A S 0 0 183 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 83.4 114.8 7.2 -36.8 2 376 A H - 0 0 140 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.932 360.0-123.8-112.0 127.3 115.0 10.0 -34.2 3 377 A V + 0 0 56 -2,-0.5 3,-0.1 1,-0.2 47,-0.1 -0.537 61.5 127.5 -67.3 112.1 115.6 9.5 -30.5 4 378 A R + 0 0 144 -2,-0.6 33,-2.5 1,-0.1 2,-0.6 0.317 42.8 91.2-143.2 -3.0 112.6 11.1 -28.8 5 379 A K E +a 37 0A 86 31,-0.2 47,-2.0 -3,-0.1 46,-0.5 -0.915 43.2 174.9-112.6 122.4 111.3 8.4 -26.4 6 380 A I E +ab 38 52A 4 31,-2.0 33,-1.6 -2,-0.6 2,-0.4 -0.983 4.5 175.1-125.1 126.7 112.4 8.0 -22.9 7 381 A I E -ab 39 53A 5 45,-1.7 47,-2.5 -2,-0.4 2,-0.5 -0.996 18.8-147.6-134.9 137.2 110.8 5.5 -20.5 8 382 A V E -ab 40 54A 7 31,-1.6 33,-2.0 -2,-0.4 2,-0.3 -0.877 19.8-171.8-105.2 133.0 111.7 4.6 -16.9 9 383 A A E +a 41 0A 2 45,-1.6 47,-0.5 -2,-0.5 2,-0.3 -0.884 9.6 165.4-125.2 157.1 111.1 1.0 -15.7 10 384 A X E -a 42 0A 32 31,-0.6 33,-2.0 -2,-0.3 34,-0.3 -0.893 52.8 -79.4-151.8-178.9 111.3 -0.8 -12.4 11 385 A D S S+ 0 0 108 -2,-0.3 33,-0.3 1,-0.2 32,-0.2 0.959 130.4 5.3 -53.2 -58.8 110.3 -4.0 -10.7 12 386 A A S S- 0 0 50 30,-0.1 30,-0.2 31,-0.1 -1,-0.2 0.626 91.0-138.8-101.5 -18.0 106.7 -2.9 -10.1 13 387 A G S S+ 0 0 11 28,-0.2 29,-0.2 1,-0.1 27,-0.1 0.854 81.8 94.8 62.6 32.5 107.0 0.4 -12.1 14 388 A M S S+ 0 0 160 27,-0.1 -1,-0.1 -5,-0.0 -5,-0.0 0.219 83.8 31.2-136.1 10.8 104.9 2.0 -9.3 15 389 A G S >> S+ 0 0 34 3,-0.0 3,-2.1 0, 0.0 4,-0.9 0.257 122.9 15.6-130.7-102.5 107.6 3.5 -7.0 16 390 A S H 3> S+ 0 0 36 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.817 119.6 66.1 -50.9 -34.8 111.0 4.8 -8.0 17 391 A S H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.823 95.8 57.6 -58.0 -32.6 109.9 4.9 -11.6 18 392 A A H <> S+ 0 0 52 -3,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.905 110.7 40.0 -66.6 -43.4 107.4 7.6 -10.7 19 393 A M H X S+ 0 0 109 -4,-0.9 4,-2.4 -3,-0.3 5,-0.3 0.952 114.2 51.7 -72.5 -49.2 110.0 10.0 -9.3 20 394 A G H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.914 112.1 48.6 -51.3 -47.5 112.7 9.3 -12.0 21 395 A A H X S+ 0 0 10 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.906 110.1 50.4 -59.9 -47.9 110.1 10.0 -14.7 22 396 A G H X S+ 0 0 39 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.925 112.8 44.4 -60.0 -49.3 108.8 13.2 -13.1 23 397 A V H X S+ 0 0 68 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.942 116.9 44.7 -63.1 -49.2 112.3 14.8 -12.7 24 398 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.921 112.7 53.1 -60.6 -44.2 113.5 13.8 -16.2 25 399 A R H X S+ 0 0 136 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.907 108.2 49.8 -57.0 -46.4 110.2 14.9 -17.7 26 400 A K H X S+ 0 0 147 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.913 110.6 49.0 -61.6 -45.0 110.5 18.3 -16.1 27 401 A K H X S+ 0 0 59 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.906 111.3 50.3 -62.2 -41.9 114.0 18.9 -17.3 28 402 A I H <>S+ 0 0 11 -4,-2.4 5,-2.0 2,-0.2 -1,-0.2 0.915 112.1 46.5 -62.6 -44.7 113.1 17.8 -20.9 29 403 A Q H ><5S+ 0 0 115 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.896 110.5 53.7 -65.3 -39.6 110.1 20.2 -21.0 30 404 A D H 3<5S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.855 101.1 60.1 -61.8 -37.2 112.2 23.0 -19.5 31 405 A A T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.484 118.0-113.5 -73.2 0.7 114.7 22.5 -22.3 32 406 A G T < 5S+ 0 0 60 -3,-1.6 2,-0.9 1,-0.1 3,-0.2 0.750 73.3 139.2 75.1 22.8 112.0 23.2 -24.8 33 407 A L > < + 0 0 33 -5,-2.0 3,-2.0 1,-0.2 -1,-0.1 -0.463 8.6 153.9 -98.3 61.3 112.1 19.7 -26.2 34 408 A S T 3 + 0 0 106 -2,-0.9 -1,-0.2 1,-0.3 -5,-0.1 0.660 67.4 69.9 -61.0 -15.5 108.3 19.3 -26.5 35 409 A Q T 3 S+ 0 0 149 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.739 84.0 81.3 -76.0 -22.2 109.1 16.7 -29.2 36 410 A I S < S- 0 0 9 -3,-2.0 2,-0.3 -8,-0.1 -31,-0.2 -0.698 71.0-152.5 -87.9 134.0 110.5 14.3 -26.6 37 411 A S E -a 5 0A 57 -33,-2.5 -31,-2.0 -2,-0.4 2,-0.4 -0.824 6.0-160.1-108.5 145.9 107.9 12.2 -24.7 38 412 A V E +a 6 0A 22 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.983 21.6 144.9-131.4 129.0 108.3 10.8 -21.2 39 413 A T E -a 7 0A 64 -33,-1.6 -31,-1.6 -2,-0.4 2,-0.3 -0.912 29.5-136.5-147.7 172.8 106.4 7.9 -19.5 40 414 A N E +a 8 0A 65 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.969 25.4 155.0-136.2 152.2 107.0 5.1 -17.0 41 415 A S E -a 9 0A 28 -33,-2.0 -31,-0.6 -2,-0.3 -28,-0.2 -0.980 46.0 -73.0-166.1 165.3 106.0 1.5 -16.9 42 416 A A E > -a 10 0A 31 -2,-0.3 3,-1.6 -30,-0.2 -31,-0.2 -0.264 42.7-117.6 -64.8 153.9 106.9 -1.9 -15.4 43 417 A I T 3 S+ 0 0 11 -33,-2.0 -1,-0.1 1,-0.3 -32,-0.1 0.906 115.7 63.9 -59.1 -42.1 110.0 -3.7 -16.9 44 418 A N T 3 S+ 0 0 152 -33,-0.3 2,-0.5 -34,-0.3 -1,-0.3 0.724 104.4 56.0 -54.7 -19.2 107.7 -6.5 -18.0 45 419 A N < + 0 0 119 -3,-1.6 -1,-0.2 2,-0.0 0, 0.0 -0.835 64.8 136.4-121.2 97.9 106.2 -3.9 -20.2 46 420 A L - 0 0 9 -2,-0.5 -3,-0.0 -3,-0.1 7,-0.0 -0.935 48.8-128.6-139.7 112.8 108.6 -2.0 -22.6 47 421 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 -2,-0.0 -0.335 16.4-130.8 -60.0 136.9 107.6 -1.3 -26.2 48 422 A P T 3 S+ 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.681 104.7 67.5 -61.8 -17.8 110.3 -2.5 -28.7 49 423 A D T 3 S+ 0 0 119 21,-0.0 -44,-0.1 2,-0.0 2,-0.0 0.525 73.0 119.3 -81.8 -5.0 110.1 0.9 -30.4 50 424 A V < - 0 0 6 -3,-2.0 21,-0.1 1,-0.1 3,-0.1 -0.362 45.2-167.9 -63.5 138.1 111.5 2.7 -27.3 51 425 A D S S+ 0 0 53 -46,-0.5 20,-1.8 1,-0.3 2,-0.4 0.831 71.9 32.9 -94.2 -40.6 114.8 4.5 -28.0 52 426 A L E -bc 6 71A 6 -47,-2.0 -45,-1.7 18,-0.1 2,-0.4 -0.974 62.2-171.8-124.0 132.9 116.0 5.2 -24.5 53 427 A V E -bc 7 72A 1 18,-3.2 20,-2.4 -2,-0.4 2,-0.5 -0.978 3.6-168.2-123.2 128.3 115.4 3.1 -21.4 54 428 A I E +bc 8 73A 6 -47,-2.5 -45,-1.6 -2,-0.4 2,-0.3 -0.957 23.1 143.3-120.4 116.8 116.3 4.3 -17.9 55 429 A T E - c 0 74A 3 18,-1.8 20,-1.6 -2,-0.5 2,-0.2 -0.916 54.0 -77.6-142.8 171.8 116.3 1.9 -14.9 56 430 A H E >> - c 0 75A 46 -47,-0.5 3,-3.7 -2,-0.3 4,-1.1 -0.488 45.0-117.1 -73.3 136.9 118.2 1.1 -11.7 57 431 A R H 3> S+ 0 0 166 18,-1.9 4,-0.6 1,-0.3 3,-0.3 0.785 114.7 64.7 -44.0 -33.6 121.5 -0.7 -12.3 58 432 A D H 34 S+ 0 0 131 1,-0.2 -1,-0.3 17,-0.2 4,-0.1 0.740 116.3 27.5 -65.3 -22.5 120.1 -3.7 -10.4 59 433 A L H <> S+ 0 0 36 -3,-3.7 4,-1.7 2,-0.1 -2,-0.2 0.354 93.1 95.3-119.8 2.3 117.4 -4.1 -13.1 60 434 A T H X S+ 0 0 10 -4,-1.1 4,-2.8 -3,-0.3 5,-0.2 0.869 81.0 60.9 -62.9 -33.2 119.3 -2.7 -16.1 61 435 A E H X S+ 0 0 150 -4,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.921 104.3 49.6 -57.6 -44.2 120.4 -6.2 -17.1 62 436 A R H > S+ 0 0 146 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 111.9 46.0 -61.0 -48.0 116.7 -7.1 -17.4 63 437 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.912 109.7 54.5 -64.3 -41.3 115.8 -4.2 -19.6 64 438 A M H < S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.2 6,-0.2 0.871 107.5 53.0 -56.2 -40.0 118.9 -4.7 -21.8 65 439 A R H < S+ 0 0 215 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.914 106.2 49.1 -64.5 -46.3 117.7 -8.3 -22.3 66 440 A Q H < S+ 0 0 83 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.942 139.4 6.1 -61.1 -43.3 114.2 -7.4 -23.4 67 441 A V >< + 0 0 19 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.3 -0.719 66.7 164.2-140.9 86.6 115.8 -4.9 -25.9 68 442 A P T 3 S+ 0 0 93 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.565 81.4 64.9 -78.1 -6.2 119.6 -5.2 -25.9 69 443 A Q T 3 S+ 0 0 190 -5,-0.1 2,-0.1 -4,-0.1 -5,-0.1 0.521 91.4 83.8 -90.0 -9.5 119.3 -3.2 -29.1 70 444 A A S < S- 0 0 19 -3,-1.2 2,-0.5 -6,-0.2 -18,-0.1 -0.425 90.9 -99.6 -88.5 169.6 117.9 -0.2 -27.2 71 445 A Q E -c 52 0A 117 -20,-1.8 -18,-3.2 -21,-0.1 2,-0.4 -0.782 40.9-167.0 -93.7 125.8 119.9 2.4 -25.3 72 446 A H E -c 53 0A 32 -2,-0.5 2,-0.4 -20,-0.2 -18,-0.2 -0.944 10.8-167.1-118.5 137.5 120.0 1.8 -21.6 73 447 A I E -c 54 0A 47 -20,-2.4 -18,-1.8 -2,-0.4 2,-0.4 -0.977 14.1-147.3-123.0 128.5 121.1 4.2 -18.9 74 448 A S E -c 55 0A 52 -2,-0.4 2,-0.2 -20,-0.2 -18,-0.2 -0.810 7.4-157.6-101.7 139.7 121.8 2.9 -15.4 75 449 A L E -c 56 0A 10 -20,-1.6 -18,-1.9 -2,-0.4 -17,-0.2 -0.636 10.8-163.1-105.0 167.0 121.2 4.8 -12.2 76 450 A T S S+ 0 0 64 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.698 74.1 20.4-117.3 -39.9 122.8 4.2 -8.7 77 451 A N > - 0 0 106 1,-0.1 3,-1.0 3,-0.1 -1,-0.4 -0.946 69.1-124.0-134.9 153.3 120.5 6.1 -6.4 78 452 A F T 3 S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.2 -22,-0.0 0.852 114.9 31.7 -62.9 -38.5 116.9 7.3 -6.5 79 453 A L T 3 S+ 0 0 137 -3,-0.0 2,-2.6 4,-0.0 -1,-0.2 0.135 77.0 142.8-108.0 20.9 117.8 10.9 -5.8 80 454 A D <> + 0 0 43 -3,-1.0 4,-2.2 1,-0.2 5,-0.2 -0.343 20.9 173.8 -62.0 79.2 121.2 10.9 -7.5 81 455 A S H > S+ 0 0 86 -2,-2.6 4,-3.0 1,-0.2 5,-0.2 0.835 71.7 60.1 -59.5 -35.3 120.8 14.4 -8.8 82 456 A G H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 108.1 42.9 -60.2 -48.5 124.3 14.4 -10.1 83 457 A L H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.932 114.9 50.5 -63.0 -45.4 123.7 11.5 -12.4 84 458 A Y H X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.919 111.2 48.5 -59.0 -45.1 120.3 12.9 -13.5 85 459 A T H X S+ 0 0 59 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.932 112.6 47.9 -61.6 -46.4 121.9 16.3 -14.3 86 460 A S H X S+ 0 0 70 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.906 111.5 50.0 -60.5 -45.1 124.7 14.7 -16.3 87 461 A L H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.904 110.0 51.1 -62.2 -42.1 122.3 12.5 -18.3 88 462 A T H X S+ 0 0 21 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.930 108.5 50.0 -61.4 -47.6 120.1 15.4 -19.1 89 463 A E H X S+ 0 0 134 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.887 111.6 51.3 -58.1 -39.5 123.0 17.6 -20.4 90 464 A R H X S+ 0 0 180 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.898 107.6 49.6 -64.2 -45.9 124.0 14.7 -22.5 91 465 A L H X S+ 0 0 43 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.920 110.5 51.5 -63.6 -40.1 120.7 14.1 -24.1 92 466 A V H X S+ 0 0 51 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.929 110.4 49.0 -60.1 -45.6 120.4 17.7 -24.9 93 467 A A H X S+ 0 0 54 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.897 112.7 47.5 -60.9 -41.3 123.8 17.5 -26.5 94 468 A A H < S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.741 105.7 61.0 -71.5 -25.5 122.8 14.5 -28.5 95 469 A Q H < S+ 0 0 48 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.954 111.5 36.3 -67.5 -48.6 119.5 16.2 -29.5 96 470 A R H < 0 0 227 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 1.000 360.0 360.0 -64.9 -62.8 121.3 19.0 -31.4 97 471 A H < 0 0 193 -4,-1.9 0, 0.0 -5,-0.2 0, 0.0 -0.185 360.0 360.0 -59.9 360.0 124.0 16.8 -32.6