==== 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 CELL ADHESION 20-MAR-09 2WD6 . COMPND 2 MOLECULE: AGGLUTININ RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS GORDONII; . AUTHOR N.FORSGREN,K.PERSSON . 595 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 28.7 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 56 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0 0 0 0 0 1 2 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 10 5 6 6 3 3 0 1 1 2 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 2 3 1 0 0 0 0 2 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 1 462 A Y > 0 0 94 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -55.4 33.8 61.3 97.3 2 463 A K H > + 0 0 148 1,-0.2 4,-1.1 2,-0.2 299,-0.0 0.771 360.0 45.0 -64.7 -22.3 34.0 61.1 101.1 3 464 A K H > S+ 0 0 172 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.727 111.1 51.5 -88.8 -27.3 31.1 58.6 101.0 4 465 A E H > S+ 0 0 116 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.829 109.8 51.5 -72.2 -35.0 32.6 56.6 98.1 5 466 A F H X S+ 0 0 71 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.912 109.3 49.3 -66.0 -46.5 35.8 56.4 100.1 6 467 A A H X S+ 0 0 59 -4,-1.1 4,-2.3 -5,-0.2 -2,-0.2 0.947 115.2 44.9 -50.1 -52.9 33.9 55.1 103.1 7 468 A A H X S+ 0 0 58 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.846 113.2 49.3 -65.6 -38.5 32.2 52.5 100.9 8 469 A Y H X S+ 0 0 35 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.880 110.9 50.2 -70.6 -38.7 35.4 51.5 99.1 9 470 A T H X S+ 0 0 67 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.927 112.1 48.0 -60.5 -46.6 37.2 51.1 102.5 10 471 A A H X S+ 0 0 60 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.870 109.9 52.2 -66.9 -37.4 34.3 48.9 103.7 11 472 A A H X S+ 0 0 31 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.828 107.2 52.2 -67.8 -33.4 34.3 46.8 100.5 12 473 A L H X S+ 0 0 42 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.880 108.6 51.0 -67.7 -38.6 38.1 46.2 100.9 13 474 A A H X S+ 0 0 63 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.906 113.1 46.2 -60.5 -42.8 37.6 44.9 104.5 14 475 A E H X S+ 0 0 77 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.896 109.6 52.5 -69.3 -42.0 34.9 42.6 103.1 15 476 A A H < S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.895 108.8 54.2 -57.7 -38.3 37.1 41.4 100.2 16 477 A E H >< S+ 0 0 94 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.929 111.2 41.4 -62.8 -49.3 39.7 40.6 102.9 17 478 A S H 3< S+ 0 0 99 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.798 121.9 41.3 -75.2 -21.0 37.5 38.4 105.0 18 479 A K T >< S+ 0 0 36 -4,-1.9 3,-1.9 -5,-0.2 6,-0.3 0.183 79.6 113.7-103.4 15.7 35.9 36.7 102.0 19 480 A K T < S+ 0 0 72 -3,-0.9 197,-0.3 1,-0.3 -1,-0.2 0.747 75.4 52.6 -63.9 -24.9 39.1 36.3 100.0 20 481 A K T 3 S+ 0 0 192 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.496 91.5 105.6 -89.3 -2.5 39.1 32.5 100.2 21 482 A Q S X S- 0 0 98 -3,-1.9 3,-2.3 4,-0.1 195,-0.3 -0.516 87.0 -88.0 -80.8 144.0 35.5 32.4 98.9 22 483 A D T 3 S+ 0 0 72 1,-0.3 195,-0.2 -2,-0.2 -1,-0.1 -0.183 114.3 15.9 -48.1 129.6 34.6 31.3 95.4 23 484 A G T 3 S+ 0 0 0 193,-2.7 270,-2.7 1,-0.3 -1,-0.3 0.060 99.2 116.5 92.0 -24.3 34.7 34.3 93.0 24 485 A Y B < S-a 293 0A 11 -3,-2.3 192,-3.0 -6,-0.3 -1,-0.3 -0.526 76.8-103.6 -78.3 144.1 36.7 36.5 95.4 25 486 A L B -B 215 0B 5 268,-0.6 190,-0.2 190,-0.2 -4,-0.1 -0.490 26.6-136.1 -59.1 125.9 40.1 37.8 94.6 26 487 A S S S+ 0 0 35 188,-2.3 -1,-0.1 -2,-0.2 189,-0.1 0.749 100.4 36.5 -63.7 -23.6 42.6 35.6 96.7 27 488 A E S S- 0 0 54 187,-0.3 -1,-0.2 -8,-0.0 -11,-0.1 -0.988 102.3-119.6-126.4 118.5 44.4 38.9 97.5 28 489 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 267,-0.1 -0.325 42.9 164.4 -62.6 137.2 42.0 41.8 97.9 29 490 A R - 0 0 72 -4,-0.0 2,-0.3 -2,-0.0 -4,-0.1 -0.958 28.9-133.4-145.5 158.3 42.6 44.7 95.5 30 491 A S - 0 0 24 -2,-0.3 2,-0.5 265,-0.2 267,-0.2 -0.777 25.1-116.3-109.2 162.6 40.8 47.8 94.3 31 492 A Q B +c 297 0C 12 265,-2.9 267,-3.0 -2,-0.3 150,-0.1 -0.883 36.6 161.9-102.3 121.0 40.4 48.9 90.6 32 493 A S + 0 0 21 -2,-0.5 83,-3.0 148,-0.2 2,-0.5 0.465 58.2 87.5-110.5 -10.7 41.9 52.2 89.5 33 494 A L E -D 114 0D 3 81,-0.2 2,-0.6 147,-0.2 81,-0.2 -0.821 54.7-170.7 -92.7 129.5 41.8 51.3 85.8 34 495 A N E +D 113 0D 27 79,-3.3 79,-1.8 -2,-0.5 85,-0.2 -0.855 34.8 133.4-118.3 93.9 38.6 52.1 83.8 35 496 A F + 0 0 0 -2,-0.6 253,-2.4 77,-0.2 254,-0.4 -0.670 25.7 134.7-137.0 71.2 38.9 50.4 80.4 36 497 A K - 0 0 57 1,-0.3 2,-0.3 75,-0.2 253,-0.2 0.872 67.0 -14.7-102.7 -45.5 35.5 48.9 80.2 37 498 A S + 0 0 8 -3,-0.1 -1,-0.3 297,-0.1 74,-0.1 -0.932 40.2 179.6-168.3 137.5 34.0 49.5 76.8 38 499 A E > + 0 0 0 -2,-0.3 3,-1.7 -3,-0.1 111,-0.1 -0.478 14.4 165.5-138.2 67.5 34.7 51.8 73.8 39 500 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 70,-0.0 0.766 78.8 44.2 -62.8 -27.4 32.1 50.9 71.2 40 501 A N T 3 S+ 0 0 38 68,-0.1 106,-0.1 2,-0.1 -2,-0.0 0.165 79.7 143.5-105.8 18.7 32.7 54.0 69.1 41 502 A A < - 0 0 14 -3,-1.7 2,-0.6 104,-0.1 67,-0.2 -0.166 54.1-120.3 -44.8 144.4 36.5 54.0 69.1 42 503 A I E -F 107 0E 95 65,-3.2 65,-2.3 2,-0.0 2,-0.5 -0.885 29.3-154.2 -90.4 119.4 38.2 55.1 65.9 43 504 A R E -F 106 0E 68 -2,-0.6 2,-0.4 63,-0.2 63,-0.2 -0.842 14.5-179.0-102.9 130.9 40.4 52.2 64.6 44 505 A T E -F 105 0E 76 61,-3.0 61,-2.6 -2,-0.5 2,-0.4 -0.977 8.0-177.9-134.1 132.9 43.4 52.9 62.5 45 506 A I - 0 0 15 -2,-0.4 59,-0.1 59,-0.2 6,-0.1 -0.998 39.3 -99.1-131.4 132.4 45.8 50.5 60.9 46 507 A D > - 0 0 107 57,-0.5 3,-2.3 -2,-0.4 57,-0.0 -0.167 26.8-123.1 -50.0 141.4 48.9 51.6 58.8 47 508 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.699 109.3 75.4 -63.7 -20.4 48.4 51.4 55.0 48 509 A S T 3 S+ 0 0 96 2,-0.1 2,-0.5 1,-0.0 -1,-0.3 0.792 85.6 73.5 -44.9 -42.2 51.4 49.1 55.1 49 510 A V S < S- 0 0 37 -3,-2.3 2,-0.5 54,-0.1 -4,-0.1 -0.740 85.1-131.3 -90.6 120.2 49.1 46.4 56.4 50 511 A H - 0 0 97 -2,-0.5 2,-0.7 45,-0.1 45,-0.5 -0.617 14.4-156.6 -69.4 121.7 46.7 44.8 54.0 51 512 A Q - 0 0 86 -2,-0.5 43,-0.2 43,-0.1 41,-0.0 -0.922 26.4-129.7 -94.3 113.8 43.2 44.7 55.6 52 513 A Y B -O 93 0F 54 41,-2.6 41,-0.5 -2,-0.7 2,-0.2 -0.275 5.1-128.9 -71.7 147.0 41.5 41.8 53.7 53 514 A G > - 0 0 35 1,-0.1 4,-2.0 39,-0.1 5,-0.2 -0.488 33.1-107.7 -72.1 160.4 38.1 41.9 52.0 54 515 A Q H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.942 117.0 35.8 -56.5 -55.2 35.7 39.1 53.0 55 516 A Q H > S+ 0 0 141 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.827 113.9 59.1 -73.3 -30.6 35.9 37.0 49.7 56 517 A E H > S+ 0 0 79 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.903 109.9 42.4 -61.8 -42.4 39.6 37.8 49.3 57 518 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.875 110.5 57.1 -71.0 -40.0 40.4 36.2 52.6 58 519 A D H X S+ 0 0 22 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.929 108.4 46.1 -54.6 -53.6 38.0 33.3 51.9 59 520 A A H X S+ 0 0 48 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.807 112.5 52.1 -57.4 -37.5 40.0 32.5 48.7 60 521 A L H X S+ 0 0 44 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.948 111.0 45.6 -65.3 -52.1 43.3 32.8 50.6 61 522 A V H <>S+ 0 0 0 -4,-3.0 5,-1.7 1,-0.2 3,-0.3 0.876 111.8 52.2 -56.7 -40.0 42.2 30.4 53.3 62 523 A K H ><5S+ 0 0 89 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.880 105.3 55.7 -64.3 -38.7 40.9 28.0 50.7 63 524 A S H 3<5S+ 0 0 86 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.733 100.3 60.9 -68.5 -22.9 44.3 28.1 48.9 64 525 A W T 3<5S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.408 125.9-101.3 -79.5 0.2 45.8 27.1 52.3 65 526 A G T < 5S+ 0 0 28 -3,-1.8 2,-1.0 1,-0.2 -3,-0.2 0.439 90.7 119.9 95.4 1.0 43.8 23.8 52.2 66 527 A I < + 0 0 0 -5,-1.7 -1,-0.2 12,-0.1 -2,-0.2 -0.834 43.1 127.1-100.9 91.5 41.2 25.0 54.6 67 528 A S S > S- 0 0 13 -2,-1.0 3,-1.2 -3,-0.1 12,-0.2 -0.967 71.9-112.9-146.4 159.8 38.1 24.7 52.5 68 529 A P T 3 S+ 0 0 70 0, 0.0 8,-0.1 0, 0.0 -1,-0.0 0.697 114.3 57.9 -68.6 -18.2 34.5 23.1 52.5 69 530 A T T 3 S+ 0 0 127 2,-0.0 -3,-0.0 7,-0.0 7,-0.0 0.298 75.4 111.2 -96.1 7.3 35.6 20.7 49.7 70 531 A N < - 0 0 43 -3,-1.2 6,-0.3 2,-0.1 5,-0.0 -0.771 64.1-146.9 -78.0 118.4 38.5 19.2 51.6 71 532 A P S S+ 0 0 124 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.531 76.1 98.7 -64.7 -9.4 37.4 15.5 52.4 72 533 A D >> - 0 0 73 1,-0.2 4,-2.2 2,-0.0 3,-0.9 -0.774 69.0-152.9 -83.8 111.9 39.3 15.9 55.7 73 534 A R H 3> S+ 0 0 142 -2,-0.8 4,-2.0 1,-0.3 5,-0.2 0.835 92.9 56.8 -54.1 -43.3 36.7 16.7 58.2 74 535 A K H 3> S+ 0 0 105 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.823 110.9 45.1 -57.5 -36.3 39.1 18.5 60.5 75 536 A K H <> S+ 0 0 60 -3,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.881 114.4 46.6 -75.0 -44.2 40.0 20.9 57.6 76 537 A S H X S+ 0 0 23 -4,-2.2 4,-1.5 -6,-0.3 -2,-0.2 0.749 112.9 49.7 -72.6 -24.7 36.4 21.4 56.5 77 538 A R H X S+ 0 0 77 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.839 107.5 54.4 -80.8 -35.0 35.3 22.1 60.1 78 539 A A H X S+ 0 0 1 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.848 108.6 51.7 -59.3 -38.5 38.2 24.5 60.4 79 540 A Y H X S+ 0 0 24 -4,-1.6 4,-3.3 -12,-0.2 -2,-0.2 0.923 106.4 50.0 -62.6 -47.6 36.7 26.2 57.3 80 541 A S H X S+ 0 0 67 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.865 112.8 48.5 -68.7 -29.7 33.2 26.5 58.7 81 542 A Y H X S+ 0 0 68 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.924 114.1 45.0 -64.2 -52.3 34.6 28.1 61.9 82 543 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.906 111.0 54.7 -57.2 -48.8 36.7 30.5 59.9 83 544 A N H < S+ 0 0 72 -4,-3.3 4,-0.3 2,-0.2 -1,-0.2 0.870 104.9 54.4 -53.1 -41.7 33.8 31.3 57.6 84 545 A A H >< S+ 0 0 17 -4,-1.4 3,-1.4 1,-0.2 4,-0.2 0.958 112.5 40.9 -60.4 -53.1 31.6 32.2 60.6 85 546 A I H >< S+ 0 0 2 -4,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.822 109.3 61.9 -69.9 -25.7 34.0 34.8 62.0 86 547 A N T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.517 87.4 74.8 -73.8 -3.7 34.7 36.0 58.5 87 548 A S T < S+ 0 0 24 -3,-1.4 2,-0.8 -4,-0.3 504,-0.3 0.614 77.0 81.2 -89.3 -9.1 31.1 37.1 58.0 88 549 A N X - 0 0 63 -3,-1.0 3,-1.4 -4,-0.2 -1,-0.1 -0.808 57.4-174.1 -97.9 100.5 31.4 40.2 60.3 89 550 A N T 3 S+ 0 0 83 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.470 71.0 80.7 -80.4 1.9 32.9 43.0 58.2 90 551 A T T 3 S+ 0 0 80 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.696 81.1 83.2 -76.0 -18.0 33.3 45.4 61.1 91 552 A Y S < S- 0 0 13 -3,-1.4 2,-0.6 53,-0.1 53,-0.2 -0.575 88.4-120.9 -80.6 145.6 36.5 43.5 62.0 92 553 A A E - P 0 143F 2 51,-2.4 51,-2.2 -2,-0.2 2,-0.7 -0.813 29.2-138.2 -81.1 124.0 39.7 44.4 60.3 93 554 A K E -OP 52 142F 5 -2,-0.6 -41,-2.6 -41,-0.5 2,-0.4 -0.758 28.2-174.8 -94.6 115.2 40.8 41.0 58.7 94 555 A L E - P 0 141F 2 47,-3.0 47,-2.2 -2,-0.7 2,-0.7 -0.859 27.3-152.6-117.7 142.6 44.5 40.5 59.1 95 556 A V E - P 0 140F 26 -45,-0.5 2,-0.3 -2,-0.4 45,-0.2 -0.913 25.0-152.4-108.1 103.2 47.1 38.0 58.0 96 557 A L E - P 0 139F 0 43,-2.7 43,-1.6 -2,-0.7 2,-0.4 -0.551 0.8-150.1 -70.4 134.2 49.8 37.9 60.5 97 558 A E E > - P 0 138F 86 3,-0.5 3,-2.5 -2,-0.3 31,-0.4 -0.910 36.8 -92.7-104.3 135.7 53.3 36.9 59.4 98 559 A K T 3 S- 0 0 104 39,-2.5 31,-0.2 -2,-0.4 39,-0.1 -0.172 107.6 -0.2 -48.2 131.9 55.5 35.2 62.0 99 560 A D T 3 S+ 0 0 88 29,-3.5 -1,-0.3 1,-0.1 30,-0.1 0.476 100.9 117.1 66.5 7.2 57.6 37.8 63.8 100 561 A K < - 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