==== 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 14-JUN-04 1VKR . COMPND 2 MOLECULE: MANNITOL-SPECIFIC PTS SYSTEM ENZYME IIABC COMPONE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.M.CLORE,P.M.LEGLER,M.CAI . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6746.0 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 . 15 15.5 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 . 35 36.1 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 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 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 83.4 314.8 207.2 163.2 2 376 A H - 0 0 140 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.932 360.0-123.8-112.0 127.3 315.0 210.0 165.8 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 -67.3 112.1 315.6 209.5 169.5 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 -3.0 312.6 211.1 171.2 5 379 A K E +a 37 0A 86 31,-0.2 47,-2.0 -3,-0.1 46,-0.5 -0.915 43.2 174.9-112.6 122.4 311.3 208.4 173.6 6 380 A I E +ab 38 52A 4 31,-2.0 33,-1.6 -2,-0.6 2,-0.4 -0.983 4.5 175.1-125.1 126.7 312.4 208.0 177.1 7 381 A I E -ab 39 53A 5 45,-1.7 47,-2.5 -2,-0.4 2,-0.5 -0.996 19.3-147.0-134.9 137.2 310.8 205.5 179.5 8 382 A V E -ab 40 54A 9 31,-1.6 33,-2.0 -2,-0.4 2,-0.4 -0.877 22.0-179.7-105.2 131.3 311.7 204.6 183.1 9 383 A A + 0 0 0 45,-1.6 47,-0.4 -2,-0.5 2,-0.2 -0.987 9.4 160.4-135.0 144.7 311.1 201.0 184.2 10 384 A C - 0 0 7 31,-0.5 33,-1.8 -2,-0.4 34,-0.2 -0.840 55.1 -91.0-146.7 177.9 311.7 199.1 187.4 11 385 A D S S+ 0 0 115 -2,-0.2 33,-0.1 1,-0.2 31,-0.1 0.765 128.7 40.9 -69.3 -23.2 310.4 195.9 189.0 12 386 A A S S- 0 0 59 29,-0.1 -1,-0.2 30,-0.0 30,-0.2 0.678 90.6-149.3 -94.9 -21.7 307.6 197.8 190.7 13 387 A G S S+ 0 0 17 28,-0.2 29,-0.2 1,-0.2 -2,-0.1 0.720 88.1 44.5 59.4 19.0 306.8 200.0 187.7 14 388 A M S > S+ 0 0 143 27,-0.1 4,-2.8 3,-0.0 5,-0.2 0.335 90.2 68.7-149.1 -67.6 305.7 202.5 190.2 15 389 A G H >> S+ 0 0 52 1,-0.2 3,-1.4 2,-0.2 4,-0.7 0.824 124.1 3.3 -30.6-104.7 307.9 203.1 193.3 16 390 A S H 3> S+ 0 0 40 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.656 123.0 78.4 -63.2 -15.3 311.1 204.8 192.1 17 391 A S H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.884 90.1 51.8 -60.7 -41.6 309.6 204.8 188.7 18 392 A A 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 -44.7 313.1 217.8 179.1 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 -39.6 310.1 220.2 179.0 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 -37.2 312.2 223.0 180.5 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 0.7 314.7 222.5 177.7 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 22.8 312.0 223.2 175.2 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 61.3 312.1 219.7 173.8 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 -15.5 308.3 219.3 173.5 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 -22.2 309.1 216.7 170.8 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 -87.9 134.0 310.5 214.3 173.4 37 411 A S E -a 5 0A 57 -33,-2.5 -31,-2.0 -2,-0.4 2,-0.4 -0.824 6.0-160.1-108.5 145.9 307.9 212.2 175.3 38 412 A V E +a 6 0A 22 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.983 21.6 144.9-131.4 129.0 308.3 210.8 178.8 39 413 A T E -a 7 0A 64 -33,-1.6 -31,-1.6 -2,-0.4 2,-0.3 -0.912 29.5-136.5-147.7 172.8 306.4 207.9 180.5 40 414 A N E +a 8 0A 65 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.969 25.4 155.0-136.2 152.2 307.0 205.1 183.0 41 415 A S - 0 0 28 -33,-2.0 -31,-0.5 -2,-0.3 -28,-0.2 -0.980 46.0 -73.0-166.1 165.3 306.0 201.5 183.1 42 416 A A > - 0 0 37 -2,-0.3 3,-1.6 -29,-0.2 -31,-0.2 -0.264 42.7-117.6 -64.8 153.9 306.9 198.1 184.6 43 417 A I T 3 S+ 0 0 12 -33,-1.8 -1,-0.1 1,-0.3 -32,-0.1 0.906 115.7 63.9 -59.1 -42.1 310.0 196.3 183.1 44 418 A N T 3 S+ 0 0 154 -34,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.724 104.4 56.0 -54.7 -19.2 307.7 193.5 182.0 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 97.9 306.2 196.1 179.8 46 420 A L - 0 0 9 -2,-0.5 -3,-0.0 -3,-0.1 7,-0.0 -0.935 48.8-128.6-139.7 112.8 308.6 198.0 177.4 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 -60.0 136.9 307.6 198.7 173.8 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 -17.8 310.3 197.5 171.3 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 -5.0 310.1 200.9 169.6 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 -63.5 138.1 311.5 202.7 172.7 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 -40.6 314.8 204.5 172.0 52 426 A L E -bc 6 71A 6 -47,-2.0 -45,-1.7 18,-0.1 2,-0.4 -0.974 62.2-171.8-124.0 132.9 316.0 205.2 175.5 53 427 A V E -bc 7 72A 1 18,-3.2 20,-2.4 -2,-0.4 2,-0.5 -0.978 3.6-168.2-123.2 128.3 315.4 203.1 178.6 54 428 A I E +bc 8 73A 6 -47,-2.5 -45,-1.6 -2,-0.4 2,-0.3 -0.957 23.1 143.3-120.4 116.8 316.3 204.3 182.1 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 -77.6-142.8 171.8 316.3 201.9 185.1 56 430 A H E >> - c 0 75A 42 -47,-0.4 3,-3.7 -2,-0.3 4,-1.1 -0.488 45.0-117.1 -73.3 136.9 318.2 201.1 188.3 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 -33.6 321.5 199.3 187.7 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 -22.5 320.1 196.3 189.6 59 433 A L H <> S+ 0 0 32 -3,-3.7 4,-1.7 2,-0.1 -2,-0.2 0.354 93.1 95.3-119.8 2.3 317.4 195.9 186.9 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 -33.2 319.3 197.3 183.9 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 -44.2 320.4 193.8 182.9 62 436 A R H > S+ 0 0 150 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 111.9 46.0 -61.0 -48.0 316.7 192.9 182.6 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 -41.3 315.8 195.8 180.4 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 -40.0 318.9 195.3 178.2 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 -46.3 317.7 191.7 177.7 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 -43.3 314.2 192.6 176.6 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 86.6 315.8 195.1 174.2 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 -6.2 319.6 194.8 174.1 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 -9.5 319.3 196.8 170.9 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 -88.5 169.6 317.9 199.8 172.8 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 -93.7 125.8 319.9 202.4 174.7 72 446 A H E -c 53 0A 32 -2,-0.5 2,-0.4 -20,-0.2 -18,-0.2 -0.944 10.8-167.1-118.5 137.5 320.0 201.8 178.4 73 447 A I E -c 54 0A 47 -20,-2.4 -18,-1.8 -2,-0.4 2,-0.4 -0.977 14.1-147.3-123.0 128.5 321.1 204.2 181.1 74 448 A S E -c 55 0A 52 -2,-0.4 2,-0.2 -20,-0.2 -18,-0.2 -0.810 7.4-157.6-101.7 139.7 321.8 202.9 184.6 75 449 A L E -c 56 0A 10 -20,-1.6 -18,-1.9 -2,-0.4 -17,-0.2 -0.636 10.8-163.1-105.0 167.0 321.2 204.8 187.8 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 -39.9 322.8 204.2 191.3 77 451 A N > - 0 0 106 1,-0.1 3,-1.0 3,-0.1 -1,-0.4 -0.946 69.1-124.0-134.9 153.3 320.5 206.1 193.6 78 452 A F T 3 S+ 0 0 112 -2,-0.3 -1,-0.1 1,-0.2 -22,-0.0 0.852 114.9 31.7 -62.9 -38.5 316.9 207.3 193.5 79 453 A L T 3 S+ 0 0 131 -3,-0.0 2,-2.6 4,-0.0 -1,-0.2 0.135 77.0 142.8-108.0 20.9 317.8 210.9 194.2 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 79.2 321.2 210.9 192.5 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 -35.3 320.8 214.4 191.2 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 -48.5 324.3 214.4 189.9 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 -45.4 323.7 211.5 187.6 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 -45.1 320.3 212.9 186.5 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 -46.4 321.9 216.3 185.7 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 -45.1 324.7 214.7 183.7 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 -42.1 322.3 212.5 181.7 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 -47.6 320.1 215.4 180.9 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 -39.5 322.9 217.6 179.6 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 -45.9 324.0 214.7 177.5 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 -40.1 320.7 214.1 175.9 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 -45.6 320.4 217.7 175.1 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 -41.3 323.8 217.5 173.5 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 -25.5 322.8 214.5 171.5 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 -48.6 319.5 216.2 170.5 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 -62.8 321.3 219.0 168.6 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 -59.9 360.0 324.0 216.8 167.4