==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUN-10 3NBM . COMPND 2 MOLECULE: PTS SYSTEM, LACTOSE-SPECIFIC IIBC COMPONENTS; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.E.CUFF,G.CHHOR,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 17.3 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 . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 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 1 454 A K 0 0 145 0, 0.0 2,-0.2 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 145.6 5.9 15.5 26.5 2 455 A E - 0 0 74 1,-0.1 2,-0.3 31,-0.1 31,-0.2 -0.548 360.0-112.2 -67.0 134.6 8.5 12.7 26.6 3 456 A L E -a 33 0A 16 29,-2.5 31,-2.5 -2,-0.2 2,-0.5 -0.570 30.5-149.3 -70.1 128.0 10.6 12.6 29.8 4 457 A K E -a 34 0A 70 -2,-0.3 47,-2.6 29,-0.2 48,-1.7 -0.918 15.3-173.9-109.7 121.2 14.2 13.5 28.9 5 458 A V E -ab 35 52A 0 29,-2.9 31,-2.7 -2,-0.5 2,-0.5 -0.936 9.0-164.9-118.0 134.1 16.9 11.9 31.1 6 459 A L E -ab 36 53A 3 46,-2.2 48,-2.6 -2,-0.4 2,-0.5 -0.988 4.6-161.4-118.6 122.9 20.7 12.6 31.0 7 460 A V E -ab 37 54A 0 29,-2.8 31,-1.9 -2,-0.5 2,-0.4 -0.936 13.1-162.8-101.8 126.6 23.1 10.3 32.7 8 461 A L E +ab 38 55A 1 46,-2.6 48,-2.9 -2,-0.5 31,-0.2 -0.904 14.2 167.7-114.5 138.1 26.5 11.8 33.4 9 462 A C E -a 39 0A 2 29,-2.0 31,-3.1 -2,-0.4 46,-0.0 -0.654 50.7 -95.9-127.3-171.0 29.8 10.0 34.2 10 463 A A S S- 0 0 70 -2,-0.2 29,-0.1 29,-0.2 -2,-0.0 0.251 78.7 -80.9 -93.8 11.8 33.5 11.1 34.3 11 464 A G S S+ 0 0 55 27,-0.2 28,-0.1 0, 0.0 -3,-0.0 0.446 101.8 113.5 104.6 4.9 34.1 9.8 30.8 12 465 A S S S- 0 0 85 1,-0.0 27,-0.0 0, 0.0 0, 0.0 0.689 86.3-116.5 -72.7 -21.0 34.6 6.1 31.3 13 466 A G S >> S+ 0 0 39 25,-0.1 3,-1.0 3,-0.0 4,-0.7 0.373 81.0 124.8 95.1 0.0 31.4 5.4 29.4 14 467 A T H >> + 0 0 26 1,-0.2 4,-1.0 2,-0.2 3,-1.0 0.831 63.4 68.2 -59.9 -31.0 29.6 3.9 32.4 15 468 A S H 3> S+ 0 0 3 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.857 92.4 59.7 -57.3 -35.4 26.8 6.5 31.9 16 469 A A H <> S+ 0 0 31 -3,-1.0 4,-2.7 1,-0.2 -1,-0.3 0.815 95.8 62.7 -63.0 -31.2 25.8 4.8 28.6 17 470 A Q H S+ 0 0 4 -4,-3.1 5,-2.0 -5,-0.2 4,-1.2 0.929 113.5 47.4 -60.2 -43.6 11.0 2.4 28.5 27 480 A N H <5S+ 0 0 119 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.955 114.8 44.2 -63.7 -49.5 10.7 0.6 25.1 28 481 A L H <5S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 119.4 42.4 -67.0 -35.0 9.6 -2.7 26.5 29 482 A T H <5S- 0 0 68 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.581 106.7-128.4 -86.4 -11.3 7.1 -1.0 28.9 30 483 A E T <5 + 0 0 171 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.928 55.6 147.6 58.9 51.8 5.9 1.5 26.2 31 484 A V < - 0 0 52 -5,-2.0 2,-1.6 -6,-0.1 -1,-0.2 -0.860 57.3-108.8-115.2 149.1 6.5 4.6 28.4 32 485 A R S S+ 0 0 184 -2,-0.3 -29,-2.5 -31,-0.1 2,-0.3 -0.582 70.0 121.2 -87.8 84.4 7.5 8.0 27.1 33 486 A V E -a 3 0A 8 -2,-1.6 2,-0.4 -31,-0.2 -29,-0.2 -0.995 36.2-171.6-142.0 136.8 11.1 8.3 28.3 34 487 A I E -a 4 0A 47 -31,-2.5 -29,-2.9 -2,-0.3 2,-0.4 -0.998 8.6-162.6-127.6 136.5 14.4 8.8 26.5 35 488 A A E -a 5 0A 2 -2,-0.4 2,-0.3 -16,-0.3 -29,-0.2 -0.967 6.2-175.4-116.3 135.7 17.8 8.7 28.2 36 489 A N E -a 6 0A 68 -31,-2.7 -29,-2.8 -2,-0.4 2,-0.3 -0.787 13.6-140.0-116.8 165.6 21.1 10.0 26.9 37 490 A S E +a 7 0A 56 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.901 26.9 152.0-123.8 155.2 24.6 9.7 28.3 38 491 A G E -a 8 0A 25 -31,-1.9 -29,-2.0 -2,-0.3 2,-0.4 -0.980 42.8 -86.5-166.3 173.3 27.4 12.2 28.5 39 492 A A E > -a 9 0A 42 -2,-0.3 3,-2.2 -31,-0.2 2,-0.3 -0.764 45.8-108.4 -91.3 136.5 30.5 13.3 30.3 40 493 A Y T 3 S+ 0 0 31 -31,-3.1 -1,-0.0 -2,-0.4 15,-0.0 -0.487 110.0 40.5 -62.0 125.9 30.3 15.8 33.2 41 494 A G T 3 S+ 0 0 44 -2,-0.3 -1,-0.3 -3,-0.0 3,-0.2 0.081 101.2 70.9 113.3 -20.6 31.6 19.0 31.9 42 495 A A S < S+ 0 0 73 -3,-2.2 4,-0.2 1,-0.1 3,-0.2 0.303 87.3 72.2 -98.4 8.2 30.0 18.8 28.4 43 496 A H > + 0 0 0 -4,-0.2 4,-2.0 1,-0.2 5,-0.2 0.459 58.4 98.9-105.7 -7.0 26.6 19.4 30.0 44 497 A Y T 4 S+ 0 0 117 1,-0.2 4,-0.2 -3,-0.2 -1,-0.2 0.822 96.0 31.2 -63.3 -32.1 26.5 23.1 31.0 45 498 A D T 4 S+ 0 0 163 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.712 123.4 46.1 -93.9 -25.3 24.6 24.3 27.9 46 499 A I T >4 S+ 0 0 78 -4,-0.2 3,-2.1 1,-0.2 4,-0.4 0.585 85.5 89.4 -90.8 -12.6 22.5 21.2 27.2 47 500 A X G >< S+ 0 0 14 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.834 78.7 63.9 -60.7 -31.5 21.3 20.5 30.7 48 501 A G G 3 S+ 0 0 43 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.657 91.0 66.0 -66.1 -13.3 18.2 22.7 30.3 49 502 A V G < S+ 0 0 96 -3,-2.1 -1,-0.3 -4,-0.0 2,-0.2 0.697 95.1 76.9 -72.0 -23.2 17.0 20.3 27.6 50 503 A Y < - 0 0 28 -3,-1.7 -45,-0.2 -4,-0.4 3,-0.1 -0.598 58.5-161.8-100.9 154.6 16.6 17.6 30.3 51 504 A D S S+ 0 0 47 -47,-2.6 25,-2.6 1,-0.3 2,-0.4 0.745 84.6 25.3 -96.0 -34.2 14.0 17.0 33.0 52 505 A L E -bc 5 76A 0 -48,-1.7 -46,-2.2 23,-0.2 2,-0.5 -0.999 63.5-165.7-137.4 130.2 16.1 14.6 35.1 53 506 A I E -bc 6 77A 0 23,-2.4 25,-2.3 -2,-0.4 2,-0.5 -0.984 7.7-161.8-119.1 129.7 19.9 14.3 35.4 54 507 A I E -bc 7 78A 0 -48,-2.6 -46,-2.6 -2,-0.5 2,-0.5 -0.949 8.7-145.9-113.8 123.0 21.4 11.2 37.0 55 508 A L E -bc 8 79A 0 23,-2.8 25,-1.3 -2,-0.5 -46,-0.2 -0.800 15.8-134.6 -87.2 125.6 25.0 11.3 38.3 56 509 A A > - 0 0 0 -48,-2.9 3,-2.0 -2,-0.5 4,-0.2 -0.295 36.6 -93.7 -67.8 164.4 26.9 8.0 37.9 57 510 A P G > S+ 0 0 22 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.845 121.9 58.4 -53.4 -39.4 29.0 7.0 41.0 58 511 A Q G 3 S+ 0 0 132 1,-0.3 3,-0.1 2,-0.1 -49,-0.1 0.535 107.8 45.7 -77.7 -3.7 32.2 8.5 39.9 59 512 A V G X S+ 0 0 0 -3,-2.0 3,-1.9 -51,-0.2 -1,-0.3 0.158 74.6 113.6-118.2 20.6 30.7 12.0 39.6 60 513 A R G X + 0 0 95 -3,-1.6 3,-2.0 1,-0.3 4,-0.3 0.818 65.5 70.8 -58.0 -30.9 28.9 12.0 42.9 61 514 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -4,-0.2 4,-0.3 0.645 92.7 57.8 -64.0 -15.2 31.2 14.7 44.2 62 515 A Y G <> S+ 0 0 90 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.367 75.3 103.3 -93.6 4.3 29.5 17.2 41.9 63 516 A Y H <> S+ 0 0 92 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.914 79.7 45.8 -54.7 -53.7 26.0 16.7 43.3 64 517 A R H > S+ 0 0 72 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.919 115.7 45.5 -59.9 -45.9 25.8 19.9 45.4 65 518 A E H > S+ 0 0 90 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.902 112.0 51.7 -67.5 -38.1 27.1 22.1 42.7 66 519 A X H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.893 105.8 55.9 -64.2 -36.6 24.9 20.5 40.1 67 520 A K H X S+ 0 0 86 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.904 107.9 48.8 -60.6 -39.8 21.9 21.1 42.4 68 521 A V H >< S+ 0 0 82 -4,-1.8 3,-1.4 1,-0.2 4,-0.4 0.956 111.1 49.5 -64.2 -44.7 22.7 24.8 42.4 69 522 A D H >< S+ 0 0 70 -4,-2.4 3,-0.5 1,-0.3 4,-0.3 0.862 110.5 51.9 -60.3 -33.1 23.0 24.8 38.6 70 523 A A H >X>S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 5,-1.2 0.613 87.4 85.3 -76.7 -14.2 19.6 23.0 38.4 71 524 A E T <<5S+ 0 0 144 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.1 0.833 85.0 52.5 -68.7 -31.1 17.8 25.6 40.6 72 525 A R T <45S+ 0 0 89 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.731 119.3 35.1 -72.8 -23.2 17.0 28.1 37.8 73 526 A L T <45S- 0 0 110 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.602 100.6-125.6-109.5 -5.3 15.4 25.6 35.7 74 527 A G T <5 + 0 0 51 -4,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.783 49.3 165.3 68.1 23.7 13.8 23.3 38.2 75 528 A I < - 0 0 12 -5,-1.2 2,-0.4 -6,-0.1 -1,-0.2 -0.471 38.8-119.9 -69.1 141.3 15.6 20.2 36.7 76 529 A Q E -c 52 0A 86 -25,-2.6 -23,-2.4 -2,-0.1 2,-0.4 -0.731 30.6-165.7 -83.0 137.9 15.5 17.1 39.0 77 530 A I E +c 53 0A 7 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.990 8.6 179.9-126.6 134.5 19.0 15.8 40.0 78 531 A V E -c 54 0A 12 -25,-2.3 -23,-2.8 -2,-0.4 2,-0.3 -0.994 12.3-153.4-135.6 138.3 19.9 12.5 41.5 79 532 A A E -c 55 0A 22 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.1 -0.857 13.9-155.0-106.8 149.4 23.2 11.0 42.6 80 533 A T - 0 0 0 -25,-1.3 2,-0.3 -2,-0.3 -20,-0.1 -0.799 7.4-139.8-121.7 161.9 24.0 7.3 42.7 81 534 A R > - 0 0 152 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.796 36.3 -98.4-117.5 163.1 26.3 5.0 44.6 82 535 A G H > S+ 0 0 36 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.856 115.6 39.1 -56.2 -53.4 28.2 2.0 43.1 83 536 A X H > S+ 0 0 148 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 118.5 49.9 -66.7 -44.3 26.1 -1.1 44.0 84 537 A E H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.936 113.8 45.5 -51.4 -54.3 22.8 0.8 43.4 85 538 A Y H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.926 111.2 50.4 -63.1 -47.8 23.9 2.0 40.0 86 539 A I H X S+ 0 0 87 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.927 108.0 54.3 -62.3 -40.6 25.3 -1.3 38.8 87 540 A H H >< S+ 0 0 120 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.922 107.9 50.3 -58.0 -42.9 22.1 -3.1 39.8 88 541 A L H >< S+ 0 0 15 -4,-1.9 3,-1.5 1,-0.2 7,-0.4 0.892 103.5 58.4 -61.6 -37.4 20.1 -0.6 37.7 89 542 A T H 3< S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.756 106.5 50.3 -64.5 -22.7 22.4 -1.2 34.7 90 543 A K T << S+ 0 0 150 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.411 108.5 55.2 -93.9 -1.0 21.5 -4.9 34.8 91 544 A S <> - 0 0 15 -3,-1.5 4,-2.9 -4,-0.3 5,-0.2 -0.831 54.1-171.1-140.7 100.5 17.7 -4.4 35.0 92 545 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.874 93.2 52.3 -54.0 -40.3 15.7 -2.4 32.4 93 546 A S H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.931 113.1 43.1 -64.5 -44.8 12.6 -2.7 34.6 94 547 A K H > S+ 0 0 116 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 112.5 54.0 -67.6 -37.2 14.4 -1.4 37.7 95 548 A A H X S+ 0 0 1 -4,-2.9 4,-1.9 -7,-0.4 -2,-0.2 0.928 111.3 45.2 -62.1 -45.0 16.2 1.4 35.7 96 549 A L H X S+ 0 0 9 -4,-2.5 4,-2.4 -75,-0.2 5,-0.2 0.920 112.7 50.6 -64.5 -45.6 12.8 2.6 34.3 97 550 A Q H X S+ 0 0 107 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.917 107.8 54.2 -59.2 -39.9 11.2 2.5 37.7 98 551 A F H X S+ 0 0 18 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.914 108.3 49.3 -58.9 -46.5 14.1 4.4 39.2 99 552 A V H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.965 114.2 43.9 -58.0 -52.3 13.7 7.2 36.6 100 553 A L H >< S+ 0 0 59 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.865 108.2 56.9 -67.9 -34.3 9.9 7.5 37.2 101 554 A E H 3< S+ 0 0 117 -4,-2.6 3,-0.3 1,-0.3 -1,-0.3 0.780 109.2 49.3 -68.7 -19.5 10.2 7.4 41.0 102 555 A H T << S+ 0 0 70 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.237 110.9 50.4-100.7 13.4 12.6 10.4 40.7 103 556 A Y < 0 0 84 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.1 -0.478 360.0 360.0-144.8 66.3 10.3 12.4 38.5 104 557 A Q 0 0 216 -3,-0.3 -2,-0.1 0, 0.0 -3,-0.1 0.894 360.0 360.0 -89.6 360.0 6.9 12.4 40.2