==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 13-SEP-11 3TSV . COMPND 2 MOLECULE: TIGHT JUNCTION PROTEIN ZO-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.NOMME,A.LAVIE . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 29.0 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 8 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 2 0 0 2 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 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 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 1 420 A P 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.8 11.8 21.6 3.4 2 421 A S + 0 0 100 2,-0.0 81,-0.2 0, 0.0 2,-0.1 -0.281 360.0 103.0-144.3 57.4 13.2 19.7 6.4 3 422 A M - 0 0 76 79,-0.1 2,-0.4 2,-0.0 79,-0.2 -0.248 67.8-102.5-119.9-164.9 11.6 16.2 5.8 4 423 A K E -A 81 0A 46 77,-2.9 77,-3.2 -2,-0.1 2,-0.5 -0.996 21.3-175.0-128.6 128.7 12.3 12.7 4.6 5 424 A L E +A 80 0A 109 -2,-0.4 2,-0.3 75,-0.2 75,-0.2 -0.944 19.5 178.7-117.8 109.3 11.2 11.3 1.3 6 425 A V E -A 79 0A 13 73,-2.8 73,-3.0 -2,-0.5 2,-0.4 -0.862 18.2-166.6-114.3 148.5 12.0 7.6 1.1 7 426 A K E +A 78 0A 117 -2,-0.3 2,-0.3 71,-0.2 71,-0.2 -0.987 22.1 154.0-133.0 118.3 11.4 5.0 -1.6 8 427 A F E -A 77 0A 9 69,-2.1 69,-3.8 -2,-0.4 2,-0.5 -0.934 43.6-104.3-139.4 163.4 11.8 1.3 -0.8 9 428 A R E -A 76 0A 131 -2,-0.3 2,-0.5 67,-0.3 67,-0.3 -0.788 30.0-133.3 -92.2 125.7 10.5 -2.0 -2.1 10 429 A K + 0 0 3 65,-2.9 64,-2.2 -2,-0.5 65,-0.2 -0.688 27.1 178.8 -75.3 125.8 7.8 -3.7 0.0 11 430 A G S S- 0 0 42 2,-0.7 63,-0.7 -2,-0.5 64,-0.2 0.745 70.0 -29.4 -85.5-103.9 8.7 -7.4 0.4 12 431 A D S S- 0 0 137 1,-0.3 2,-0.3 61,-0.1 -2,-0.1 0.823 132.7 -7.7 -84.0 -41.6 6.2 -9.4 2.6 13 432 A S - 0 0 62 60,-0.0 -2,-0.7 1,-0.0 -1,-0.3 -0.953 69.3-109.1-147.7 167.5 5.2 -6.4 4.7 14 433 A V - 0 0 11 -2,-0.3 23,-0.3 54,-0.2 3,-0.1 0.679 45.0-137.8 -72.8 -15.8 6.3 -2.8 5.2 15 434 A G + 0 0 15 1,-0.2 17,-2.7 16,-0.1 2,-0.4 0.759 56.0 134.8 62.8 26.3 7.8 -3.8 8.6 16 435 A L E -B 31 0A 24 15,-0.2 2,-0.4 49,-0.1 -1,-0.2 -0.901 44.2-155.3-106.2 137.5 6.4 -0.6 10.3 17 436 A R E -B 30 0A 192 13,-3.1 12,-3.2 -2,-0.4 13,-1.5 -0.911 24.7-143.6-104.1 135.5 4.7 -0.6 13.7 18 437 A L E -B 28 0A 21 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.828 19.0-174.3-112.3 145.4 2.4 2.4 14.0 19 438 A A E +B 27 0A 7 8,-2.8 8,-3.2 -2,-0.3 2,-0.3 -0.930 50.3 14.6-127.3 156.8 1.3 4.8 16.8 20 439 A G E -B 26 0A 19 -2,-0.3 41,-0.3 6,-0.2 6,-0.2 -0.634 57.7-172.0 93.3-144.8 -1.2 7.7 17.0 21 440 A G > + 0 0 8 4,-2.2 3,-1.1 -2,-0.3 2,-0.6 -0.390 46.2 14.6 127.8 157.0 -4.1 8.5 14.6 22 441 A N T 3 S+ 0 0 76 37,-2.1 37,-0.1 1,-0.3 4,-0.1 -0.322 126.3 16.0 57.8 -99.2 -6.8 11.0 13.7 23 442 A D T 3 S+ 0 0 159 -2,-0.6 -1,-0.3 1,-0.2 37,-0.0 0.968 133.5 40.5 -71.5 -56.5 -6.0 14.2 15.6 24 443 A V S < S- 0 0 65 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.701 108.2-124.1 -70.5 -24.0 -2.4 13.6 16.6 25 444 A G - 0 0 1 -4,-0.3 -4,-2.2 34,-0.1 2,-0.5 -0.255 31.1 -60.9 97.8 169.6 -1.2 12.0 13.3 26 445 A I E -BC 20 48A 0 30,-0.7 22,-3.0 22,-0.5 2,-0.3 -0.832 53.1-173.8-100.6 124.8 0.4 8.7 12.3 27 446 A F E -BC 19 47A 0 -8,-3.2 -8,-2.8 -2,-0.5 2,-0.7 -0.848 31.5-110.7-118.8 148.6 3.8 7.9 13.8 28 447 A V E +B 18 0A 0 18,-2.7 17,-3.0 -2,-0.3 -10,-0.2 -0.712 33.4 175.7 -75.8 115.1 6.4 5.2 13.3 29 448 A A E + 0 0 22 -12,-3.2 2,-0.3 -2,-0.7 -11,-0.2 0.666 68.5 0.6 -93.7 -21.2 6.4 3.2 16.6 30 449 A G E -B 17 0A 15 -13,-1.5 -13,-3.1 13,-0.1 2,-0.5 -0.915 55.1-154.8-166.6 140.2 8.8 0.5 15.4 31 450 A V E -B 16 0A 33 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.982 36.0-112.8-120.7 118.1 10.9 -0.3 12.2 32 451 A L > - 0 0 110 -17,-2.7 3,-1.9 -2,-0.5 6,-0.4 -0.121 43.5 -88.5 -52.1 135.8 11.8 -4.0 11.8 33 452 A E T 3 S- 0 0 160 1,-0.3 -1,-0.1 5,-0.1 5,-0.0 -0.165 103.5 -10.9 -45.7 128.1 15.5 -4.9 12.0 34 453 A D T 3 S+ 0 0 115 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.655 95.8 147.9 54.5 22.6 17.4 -4.6 8.7 35 454 A S <> - 0 0 11 -3,-1.9 4,-2.6 -20,-0.1 5,-0.3 -0.382 66.5-103.3 -79.6 163.8 14.1 -4.2 6.7 36 455 A P H > S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.891 124.9 55.1 -53.4 -35.8 14.0 -2.1 3.5 37 456 A A H 4>S+ 0 0 1 -23,-0.3 5,-2.3 2,-0.2 4,-0.3 0.891 109.7 45.7 -65.6 -41.1 12.2 0.6 5.6 38 457 A A H >45S+ 0 0 34 -6,-0.4 3,-2.2 3,-0.2 -1,-0.2 0.951 110.9 51.8 -60.5 -52.6 15.1 0.7 8.1 39 458 A K H 3<5S+ 0 0 152 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.793 106.1 55.5 -60.0 -28.2 17.8 0.7 5.4 40 459 A E T 3<5S- 0 0 98 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.552 125.3-104.5 -84.2 -7.4 16.1 3.7 3.8 41 460 A G T < 5 + 0 0 34 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.594 66.1 149.6 100.5 12.1 16.3 5.5 7.1 42 461 A L < - 0 0 6 -5,-2.3 2,-0.3 4,-0.0 -1,-0.3 -0.585 25.0-179.5 -72.7 140.4 12.7 5.4 8.6 43 462 A E > - 0 0 78 -2,-0.2 3,-1.9 -13,-0.1 -15,-0.3 -0.997 37.2 -78.8-148.4 144.9 12.9 5.3 12.4 44 463 A E T 3 S+ 0 0 100 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.123 116.3 33.6 -37.3 124.4 10.7 5.2 15.5 45 464 A G T 3 S+ 0 0 0 -17,-3.0 39,-2.4 1,-0.4 2,-0.3 0.385 81.8 127.0 102.0 -3.3 9.3 8.8 16.0 46 465 A D E < - D 0 83A 0 -3,-1.9 -18,-2.7 37,-0.3 2,-0.5 -0.659 58.0-131.0 -76.1 141.4 9.0 9.9 12.3 47 466 A Q E -CD 27 82A 33 35,-3.5 35,-2.2 -2,-0.3 2,-0.6 -0.835 15.3-134.3 -89.0 133.7 5.6 11.2 11.5 48 467 A I E +CD 26 81A 0 -22,-3.0 -22,-0.5 -2,-0.5 33,-0.2 -0.822 29.6 171.3 -89.7 119.3 4.2 9.7 8.3 49 468 A L E + 0 0 32 31,-2.8 7,-2.8 -2,-0.6 8,-0.4 0.758 64.5 2.4 -97.6 -32.5 2.7 12.5 6.2 50 469 A R E -ED 55 80A 92 30,-1.5 30,-2.9 5,-0.3 2,-0.5 -0.968 51.3-156.3-162.2 135.1 2.0 10.6 3.0 51 470 A V E > S-ED 54 79A 0 3,-2.5 3,-2.4 -2,-0.3 28,-0.2 -0.989 76.7 -44.9-120.0 122.0 2.2 7.1 1.6 52 471 A N T 3 S- 0 0 50 26,-3.6 28,-0.1 -2,-0.5 25,-0.0 -0.452 126.7 -24.8 48.9-119.6 2.4 7.0 -2.2 53 472 A N T 3 S+ 0 0 156 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.059 115.7 104.6-105.7 25.8 -0.3 9.5 -3.1 54 473 A V E < -E 51 0A 62 -3,-2.4 -3,-2.5 2,-0.0 2,-0.1 -0.926 68.8-131.2-114.2 116.2 -2.4 9.1 0.1 55 474 A D E -E 50 0A 91 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.2 -0.392 19.1-172.4 -58.6 131.6 -2.3 11.8 2.7 56 475 A F + 0 0 2 -7,-2.8 -30,-0.7 1,-0.1 3,-0.5 0.046 55.3 102.7-115.1 19.3 -1.7 10.3 6.2 57 476 A T S S+ 0 0 60 -8,-0.4 -1,-0.1 1,-0.2 -36,-0.1 0.600 92.9 22.9 -88.2 -11.5 -2.2 13.4 8.3 58 477 A N S S+ 0 0 108 -3,-0.2 2,-0.4 -33,-0.1 -1,-0.2 -0.357 88.7 128.5-148.8 62.7 -5.8 12.5 9.5 59 478 A I - 0 0 36 -3,-0.5 -37,-2.1 -37,-0.1 2,-0.2 -0.929 61.5-109.2-123.2 141.5 -6.3 8.8 9.3 60 479 A I >> - 0 0 69 -2,-0.4 4,-2.3 -39,-0.2 3,-1.7 -0.529 30.9-123.3 -70.9 133.4 -7.6 6.3 11.9 61 480 A R H 3> S+ 0 0 117 -41,-0.3 4,-2.5 1,-0.3 5,-0.2 0.852 110.3 54.6 -45.6 -46.1 -4.7 4.0 13.0 62 481 A E H 3> S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.779 109.5 46.5 -63.3 -29.5 -6.6 0.9 12.0 63 482 A E H <> S+ 0 0 116 -3,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.885 111.4 52.7 -75.6 -39.3 -7.2 2.1 8.5 64 483 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.885 109.2 49.7 -57.2 -42.6 -3.5 3.1 8.3 65 484 A V H X S+ 0 0 50 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.961 113.4 44.7 -64.1 -51.2 -2.5 -0.4 9.4 66 485 A L H X S+ 0 0 80 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.874 109.9 55.0 -60.4 -41.4 -4.7 -2.1 6.8 67 486 A F H X S+ 0 0 63 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.934 109.4 48.1 -60.3 -46.2 -3.6 0.3 4.0 68 487 A L H >< S+ 0 0 6 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.898 113.9 46.6 -58.3 -43.7 0.0 -0.6 4.7 69 488 A L H 3< S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.878 109.2 56.4 -62.9 -37.0 -0.9 -4.3 4.6 70 489 A D H 3< S+ 0 0 127 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.586 78.2 111.8 -76.5 -11.7 -2.9 -3.7 1.4 71 490 A L S << S- 0 0 12 -4,-0.8 6,-0.1 -3,-0.6 -57,-0.0 -0.439 84.0 -98.9 -59.5 135.5 0.1 -2.3 -0.4 72 491 A P > - 0 0 72 0, 0.0 3,-1.4 0, 0.0 -62,-0.2 -0.327 37.2-109.8 -69.9 139.5 1.1 -4.8 -3.1 73 492 A K T 3 S+ 0 0 147 1,-0.2 -62,-0.2 -61,-0.1 -61,-0.1 -0.392 100.2 18.9 -69.3 136.4 3.9 -7.2 -2.3 74 493 A G T 3 S+ 0 0 36 -64,-2.2 2,-0.3 -63,-0.7 -1,-0.2 0.485 99.4 120.6 82.9 2.4 7.1 -6.7 -4.3 75 494 A E < - 0 0 108 -3,-1.4 -65,-2.9 -65,-0.2 -1,-0.3 -0.723 69.1-100.8-103.3 154.6 6.2 -3.1 -5.3 76 495 A E E -A 9 0A 94 -2,-0.3 2,-0.4 -67,-0.3 -67,-0.3 -0.489 33.6-159.2 -71.3 130.2 7.9 0.2 -4.6 77 496 A V E -A 8 0A 3 -69,-3.8 -69,-2.1 -2,-0.2 2,-0.5 -0.894 2.9-157.0-110.1 139.4 6.5 2.3 -1.7 78 497 A T E -A 7 0A 38 -2,-0.4 -26,-3.6 -71,-0.2 2,-0.5 -0.989 12.8-172.3-116.2 123.9 7.1 6.1 -1.4 79 498 A I E -AD 6 51A 0 -73,-3.0 -73,-2.8 -2,-0.5 2,-0.5 -0.971 13.8-157.0-122.4 127.4 6.8 7.5 2.1 80 499 A L E +AD 5 50A 25 -30,-2.9 -31,-2.8 -2,-0.5 -30,-1.5 -0.897 31.4 163.7 -97.1 126.6 6.9 11.2 3.0 81 500 A A E -AD 4 48A 0 -77,-3.2 -77,-2.9 -2,-0.5 2,-0.3 -0.935 29.9-153.5-141.4 163.5 7.9 11.6 6.6 82 501 A Q E - D 0 47A 50 -35,-2.2 -35,-3.5 -2,-0.3 2,-0.4 -0.973 29.5-116.3-142.6 130.4 9.1 14.1 9.2 83 502 A K E + D 0 46A 106 -2,-0.3 -37,-0.3 -37,-0.3 3,-0.1 -0.458 40.1 164.0 -66.4 114.1 11.1 13.4 12.4 84 503 A K > + 0 0 75 -39,-2.4 4,-2.4 -2,-0.4 5,-0.1 -0.524 8.4 153.4-130.6 64.8 9.0 14.4 15.3 85 504 A K H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.896 72.9 48.7 -60.3 -46.8 10.7 12.7 18.3 86 505 A D H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.960 115.2 42.2 -63.1 -52.1 9.5 15.1 20.9 87 506 A V H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 115.2 53.9 -58.7 -42.5 5.8 15.1 19.9 88 507 A Y H X S+ 0 0 16 -4,-2.4 4,-2.2 -43,-0.3 -2,-0.2 0.915 104.6 51.8 -58.1 -48.6 6.1 11.3 19.4 89 508 A R H < S+ 0 0 141 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 116.0 42.3 -61.3 -35.6 7.4 10.8 23.0 90 509 A R H >< S+ 0 0 158 -4,-1.7 3,-0.9 -5,-0.2 -1,-0.2 0.863 112.5 56.8 -72.0 -37.4 4.5 12.8 24.3 91 510 A I H 3< S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.829 84.2 75.9 -66.6 -39.8 2.0 11.1 21.8 92 511 A V T 3< 0 0 61 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.439 360.0 360.0 -61.0 3.1 2.6 7.4 22.8 93 512 A E < 0 0 187 -3,-0.9 -2,-0.2 -4,-0.0 -1,-0.2 0.703 360.0 360.0-112.7 360.0 0.5 8.1 25.9