==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-DEC-02 1ND7 . COMPND 2 MOLECULE: WW DOMAIN-CONTAINING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.VERDECIA,C.A.P.JOAZIERO,N.J.WELLS,J.-L.FERRER, . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 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 . 22 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 1 1 0 1 1 1 2 1 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 2 2 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 . 4 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 1 544 A H 0 0 40 0, 0.0 370,-0.1 0, 0.0 371,-0.1 0.000 360.0 360.0 360.0 -40.9 9.9 -7.2 61.2 2 545 A M > + 0 0 103 369,-0.1 3,-0.7 0, 0.0 2,-0.6 0.252 360.0 14.0-135.4 -99.2 13.2 -9.2 61.2 3 546 A G T 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.040 84.8 125.2 -79.5 35.6 13.7 -12.9 60.4 4 547 A F H 3> + 0 0 12 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.894 67.6 57.2 -60.5 -40.8 10.2 -12.9 59.0 5 548 A R H <> S+ 0 0 181 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.880 108.5 47.1 -58.0 -40.1 11.4 -14.3 55.7 6 549 A W H > S+ 0 0 129 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.907 110.8 50.1 -68.7 -44.2 12.9 -17.2 57.5 7 550 A K H X S+ 0 0 42 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.885 111.8 50.5 -61.8 -37.9 9.8 -17.9 59.6 8 551 A L H X S+ 0 0 68 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.942 111.0 45.7 -66.5 -48.8 7.8 -17.8 56.4 9 552 A A H X S+ 0 0 26 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.902 111.6 54.8 -61.3 -39.7 10.0 -20.3 54.5 10 553 A H H X S+ 0 0 68 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.913 109.4 46.4 -60.1 -42.8 9.9 -22.4 57.6 11 554 A F H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.938 111.0 51.9 -65.9 -45.4 6.1 -22.4 57.6 12 555 A R H X S+ 0 0 63 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.924 111.4 47.3 -54.2 -47.6 6.0 -23.2 53.8 13 556 A Y H X S+ 0 0 153 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.877 108.8 55.0 -62.5 -39.8 8.4 -26.2 54.3 14 557 A L H X S+ 0 0 39 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.909 110.6 45.1 -60.1 -44.2 6.3 -27.4 57.3 15 558 A C H < S+ 0 0 3 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.911 112.4 51.9 -68.1 -41.4 3.2 -27.4 55.1 16 559 A Q H >< S+ 0 0 117 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.925 108.9 48.9 -60.8 -46.8 5.0 -29.1 52.2 17 560 A S H 3< S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 114.3 47.4 -64.7 -28.6 6.4 -31.9 54.3 18 561 A N T 3< S+ 0 0 50 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.433 82.6 127.7 -92.0 1.2 2.8 -32.4 55.7 19 562 A A < - 0 0 55 -3,-1.2 32,-0.2 -4,-0.5 -3,-0.1 -0.273 52.7-138.5 -57.8 141.3 1.1 -32.4 52.3 20 563 A L - 0 0 55 30,-2.0 32,-0.4 27,-0.1 -1,-0.1 -0.828 15.9-112.3-107.6 145.2 -1.1 -35.4 51.7 21 564 A P S S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.036 77.4 25.6 -65.1 175.5 -1.4 -37.5 48.5 22 565 A S S S- 0 0 85 29,-0.1 30,-1.7 2,-0.0 2,-0.3 -0.219 86.9-100.2 63.0-156.7 -4.3 -37.8 46.1 23 566 A H E -a 52 0A 86 28,-0.2 2,-0.4 31,-0.0 30,-0.2 -0.945 9.3-123.2-155.5 173.9 -6.7 -34.9 46.0 24 567 A V E -a 53 0A 6 28,-2.9 30,-2.6 -2,-0.3 2,-0.4 -0.978 23.5-147.0-125.5 137.5 -10.0 -33.3 47.0 25 568 A K E -a 54 0A 96 -2,-0.4 2,-0.5 28,-0.2 30,-0.2 -0.865 7.1-163.9-107.2 139.0 -12.6 -32.0 44.6 26 569 A I E -a 55 0A 3 28,-2.7 30,-1.9 -2,-0.4 2,-0.7 -0.903 4.4-174.3-128.1 105.4 -14.8 -29.0 45.2 27 570 A N E +a 56 0A 37 -2,-0.5 2,-0.3 28,-0.2 30,-0.2 -0.852 20.8 154.4-101.7 106.7 -17.9 -28.5 43.0 28 571 A V E -a 57 0A 0 -2,-0.7 30,-2.0 28,-0.7 31,-0.4 -0.956 39.0-124.4-133.9 150.8 -19.7 -25.2 43.7 29 572 A S >> - 0 0 42 -2,-0.3 3,-1.6 28,-0.2 4,-0.6 -0.710 30.9-115.3 -93.1 144.9 -21.9 -22.8 41.8 30 573 A R T 34 S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.3 27,-0.0 0.670 115.8 35.2 -52.3 -18.1 -20.9 -19.2 41.5 31 574 A Q T 34 S+ 0 0 153 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 -0.259 119.4 43.1-135.9 51.4 -24.0 -18.3 43.5 32 575 A T T <> S+ 0 0 46 -3,-1.6 4,-2.7 3,-0.0 5,-0.4 -0.048 79.7 125.6-170.7 8.9 -24.5 -21.1 46.0 33 576 A L H X + 0 0 4 -4,-0.6 4,-2.0 1,-0.2 5,-0.2 0.870 69.3 45.8 -45.8 -54.3 -20.8 -21.0 46.6 34 577 A F H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.976 115.6 43.3 -58.9 -60.9 -21.0 -20.5 50.4 35 578 A E H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.878 118.2 42.8 -56.2 -45.2 -23.6 -23.2 51.1 36 579 A D H X S+ 0 0 20 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.864 111.4 54.4 -74.2 -32.3 -22.1 -25.9 48.9 37 580 A S H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.4 5,-0.3 0.921 109.6 50.5 -62.6 -41.1 -18.6 -25.2 49.9 38 581 A F H X S+ 0 0 20 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.947 111.2 46.7 -59.6 -52.7 -19.8 -25.7 53.5 39 582 A Q H X S+ 0 0 134 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.898 116.9 42.5 -59.5 -45.2 -21.5 -29.0 52.8 40 583 A Q H < S+ 0 0 56 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.909 116.1 46.3 -71.7 -42.4 -18.5 -30.5 50.8 41 584 A I H >< S+ 0 0 1 -4,-2.6 3,-1.2 -5,-0.3 -2,-0.2 0.918 112.7 49.5 -67.6 -41.8 -15.8 -29.3 53.1 42 585 A M H 3< S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.723 105.6 58.3 -71.2 -18.4 -17.5 -30.4 56.3 43 586 A A T 3< S+ 0 0 85 -4,-0.9 -1,-0.3 -5,-0.2 2,-0.2 0.583 99.5 74.2 -84.6 -10.0 -18.2 -33.9 54.8 44 587 A L S < S- 0 0 30 -3,-1.2 5,-0.0 -4,-0.4 -20,-0.0 -0.638 95.0 -99.9 -99.3 158.6 -14.4 -34.4 54.3 45 588 A K >> - 0 0 110 -2,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.463 33.4-118.1 -72.5 150.6 -11.9 -35.1 57.0 46 589 A P G >4 S+ 0 0 23 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.894 116.0 53.9 -59.0 -36.7 -10.0 -32.0 58.1 47 590 A Y G >4 S+ 0 0 102 1,-0.3 3,-1.4 2,-0.2 -27,-0.1 0.628 91.6 74.6 -74.0 -8.5 -6.7 -33.6 57.0 48 591 A D G X4 S+ 0 0 22 -3,-1.5 3,-1.8 1,-0.3 -1,-0.3 0.789 84.2 67.7 -69.6 -26.6 -8.2 -34.1 53.5 49 592 A L G << S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.536 87.4 66.6 -71.2 -5.3 -7.8 -30.4 53.1 50 593 A R G < S+ 0 0 41 -3,-1.4 -30,-2.0 -4,-0.1 -1,-0.3 0.398 88.2 86.8 -92.5 1.0 -4.0 -31.0 53.1 51 594 A R S < S- 0 0 51 -3,-1.8 -28,-0.2 -32,-0.2 -29,-0.1 -0.329 99.9 -67.7 -89.5 176.6 -4.3 -32.9 49.8 52 595 A R E -a 23 0A 168 -30,-1.7 -28,-2.9 -32,-0.4 2,-0.5 -0.418 54.4-130.9 -68.8 145.8 -4.2 -31.3 46.3 53 596 A L E -a 24 0A 28 -30,-0.2 2,-0.5 -3,-0.1 -28,-0.2 -0.854 21.9-174.9-105.5 129.7 -7.3 -29.1 45.6 54 597 A Y E -a 25 0A 86 -30,-2.6 -28,-2.7 -2,-0.5 2,-0.8 -0.850 8.5-174.5-121.1 92.3 -9.4 -29.2 42.5 55 598 A V E +a 26 0A 8 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.785 3.5 179.4 -92.1 112.9 -12.0 -26.5 42.5 56 599 A I E -a 27 0A 83 -30,-1.9 -28,-0.7 -2,-0.8 2,-0.4 -0.923 17.9-150.4-117.6 105.0 -14.4 -26.8 39.6 57 600 A F E > -a 28 0A 10 -2,-0.6 4,-0.7 -30,-0.2 -28,-0.2 -0.583 8.4-147.5 -70.4 127.0 -17.1 -24.1 39.6 58 601 A R T 4 S+ 0 0 75 -30,-2.0 -29,-0.2 -2,-0.4 -1,-0.1 0.166 81.7 104.2 -92.7 23.3 -19.9 -25.7 37.9 59 602 A G T 4 S- 0 0 43 -31,-0.4 -1,-0.3 1,-0.0 -2,-0.1 -0.228 102.3-132.2 -84.8 29.6 -20.8 -22.3 36.5 60 603 A E T 4 + 0 0 158 1,-0.1 -2,-0.2 -4,-0.1 -31,-0.0 0.224 57.2 139.8 -2.3 62.2 -19.3 -24.9 34.5 61 604 A E < + 0 0 88 -4,-0.7 -1,-0.1 2,-0.0 -3,-0.0 0.806 35.8 12.1 -82.9-126.9 -16.6 -22.6 33.1 62 605 A G - 0 0 61 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.476 56.4-120.4 -50.9-170.0 -12.7 -22.8 32.2 63 606 A L + 0 0 166 1,-0.1 2,-0.4 -7,-0.0 -1,-0.1 0.762 70.0 3.0-107.1 -72.6 -10.2 -25.6 32.0 64 607 A D + 0 0 118 1,-0.1 -1,-0.1 2,-0.0 -8,-0.0 -0.851 62.6 83.1-158.6 132.8 -7.4 -25.2 34.4 65 608 A Y > - 0 0 145 -2,-0.4 2,-9.9 -3,-0.1 3,-0.9 0.044 60.4-112.6 154.4 118.9 -5.5 -23.4 37.1 66 609 A G T 3> S+ 0 0 39 1,-0.3 4,-1.3 2,-0.2 -12,-0.0 0.467 101.6 95.1 -19.2 18.9 -5.1 -22.8 40.8 67 610 A G H 3> S+ 0 0 15 -2,-9.9 4,-1.0 2,-0.2 -1,-0.3 0.606 84.0 50.0 -90.3 -14.9 -6.4 -19.4 39.5 68 611 A L H <> S+ 0 0 37 -3,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.414 105.6 53.9 -95.5 -18.9 -9.6 -20.9 40.6 69 612 A A H > S+ 0 0 6 -4,-0.3 4,-3.2 2,-0.2 5,-0.3 0.889 111.7 44.4 -80.2 -48.1 -8.2 -21.8 43.8 70 613 A R H X S+ 0 0 143 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.848 116.9 46.4 -61.4 -38.7 -7.1 -18.2 44.2 71 614 A E H X S+ 0 0 58 -4,-1.0 4,-4.3 2,-0.2 -1,-0.2 0.929 112.7 50.6 -69.9 -45.8 -10.5 -17.0 43.0 72 615 A W H X>S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 5,-0.6 0.969 112.0 44.7 -55.8 -59.6 -12.3 -19.5 45.2 73 616 A F H X5S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.874 118.3 47.9 -53.6 -37.0 -10.4 -18.4 48.4 74 617 A F H X5S+ 0 0 91 -4,-1.6 4,-1.3 -5,-0.3 -2,-0.2 0.992 117.9 37.9 -66.0 -62.6 -11.0 -14.9 47.2 75 618 A L H >X5S+ 0 0 37 -4,-4.3 3,-1.9 1,-0.2 4,-1.8 0.969 119.5 44.7 -52.5 -67.7 -14.8 -15.2 46.5 76 619 A L H 3X5S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.3 5,-0.4 0.817 107.1 64.1 -48.6 -33.0 -15.7 -17.5 49.4 77 620 A S H 3X< S+ 0 0 39 -4,-1.8 3,-0.6 2,-0.2 6,-0.2 0.958 114.7 40.7 -73.2 -52.7 -19.1 -14.6 51.2 80 623 A V H 3< S+ 0 0 0 -4,-3.1 8,-0.3 1,-0.2 7,-0.2 0.919 120.1 46.8 -60.4 -43.3 -18.1 -16.1 54.6 81 624 A L T 3< S+ 0 0 10 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.573 87.7 108.4 -74.9 -12.1 -16.9 -12.7 55.7 82 625 A N X - 0 0 54 -3,-0.6 3,-1.8 -4,-0.5 5,-0.4 -0.571 68.7-141.9 -73.6 122.4 -20.0 -11.0 54.4 83 626 A P G > S+ 0 0 37 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.486 89.3 87.5 -61.0 -3.7 -22.2 -9.9 57.4 84 627 A M G 3 S+ 0 0 121 1,-0.2 -4,-0.1 -5,-0.1 5,-0.1 0.644 85.0 55.9 -72.1 -12.1 -25.3 -10.9 55.4 85 628 A Y G < S- 0 0 45 -3,-1.8 -1,-0.2 -6,-0.2 -3,-0.0 0.437 106.8-127.6 -97.4 -1.9 -24.8 -14.4 56.8 86 629 A C S < S+ 0 0 47 -3,-1.3 20,-0.2 2,-0.3 21,-0.2 0.566 84.9 101.0 68.8 11.4 -24.9 -13.2 60.5 87 630 A L S S+ 0 0 3 -5,-0.4 14,-2.6 -7,-0.2 2,-0.3 0.859 88.2 23.4 -90.1 -43.2 -21.6 -14.9 61.5 88 631 A F E -B 100 0B 1 -6,-0.3 -2,-0.3 -8,-0.3 2,-0.2 -0.777 67.5-171.9-118.8 164.8 -19.5 -11.8 61.3 89 632 A E E -B 99 0B 45 10,-2.5 10,-2.9 -2,-0.3 2,-0.3 -0.805 32.0 -82.8-142.4-179.0 -20.3 -8.1 61.6 90 633 A Y E -B 98 0B 74 -2,-0.2 3,-0.3 8,-0.2 8,-0.2 -0.689 31.2-141.2 -98.2 150.5 -18.4 -4.8 61.1 91 634 A A S S+ 0 0 56 6,-1.3 2,-2.8 -2,-0.3 -1,-0.2 0.805 81.7 4.8 -69.1-118.5 -16.2 -3.1 63.6 92 635 A G S S- 0 0 25 1,-0.1 234,-0.3 2,-0.1 -1,-0.2 -0.464 115.2 -98.4 -76.2 58.7 -16.1 0.7 64.1 93 636 A K S S+ 0 0 63 -2,-2.8 2,-6.2 -3,-0.3 -2,-0.2 -0.128 98.1 25.8 77.1-159.9 -18.9 1.0 61.7 94 637 A N S S+ 0 0 120 -4,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.060 108.4 87.8 -32.9 49.8 -19.2 1.7 58.5 95 638 A N S S- 0 0 51 -2,-6.2 -2,-0.1 2,-0.1 -1,-0.1 -0.323 74.5-103.5-128.3-125.6 -15.8 0.5 58.1 96 639 A Y + 0 0 135 -2,-0.2 2,-0.3 226,-0.1 -2,-0.1 0.667 64.0 81.2-155.7 -3.9 -14.3 -2.8 57.5 97 640 A C - 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