==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 19-JUN-09 2WL1 . COMPND 2 MOLECULE: PYRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.WEINERT,P.R.MITTL,M.G.GRUETTER . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 4 2 1 1 3 1 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 . 1 0 0 0 0 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 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 1 586 A N 0 0 205 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.8 -1.5 -5.5 -0.2 2 587 A V - 0 0 39 155,-0.0 155,-0.0 142,-0.0 6,-0.0 -0.991 360.0-103.0-157.4 143.2 2.1 -6.6 0.2 3 588 A P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 133,-0.0 -0.191 31.8-108.8 -74.5 161.2 5.5 -4.9 -0.5 4 589 A E >> - 0 0 168 1,-0.1 4,-2.2 150,-0.0 3,-0.6 -0.455 47.1 -95.3 -71.5 162.2 7.8 -5.4 -3.4 5 590 A L H 3> S+ 0 0 17 1,-0.3 4,-2.7 147,-0.2 5,-0.2 0.870 123.8 54.8 -54.4 -44.3 11.0 -7.2 -2.4 6 591 A I H 3> S+ 0 0 144 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.897 109.8 48.5 -58.9 -36.5 13.1 -4.0 -1.9 7 592 A G H X4 S+ 0 0 31 -3,-0.6 3,-0.9 1,-0.2 -1,-0.2 0.924 111.1 49.2 -68.6 -44.2 10.5 -2.7 0.6 8 593 A A H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.917 104.5 59.7 -59.9 -42.7 10.4 -6.0 2.4 9 594 A Q H >< S+ 0 0 42 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.707 87.3 74.4 -62.7 -18.4 14.2 -6.1 2.7 10 595 A A T << S+ 0 0 82 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.656 94.5 54.7 -67.3 -14.1 14.2 -2.8 4.6 11 596 A H T < S+ 0 0 50 -3,-2.1 58,-2.0 -4,-0.2 -1,-0.3 0.046 79.3 154.7-107.0 21.4 12.9 -4.8 7.6 12 597 A A B < -a 69 0A 54 -3,-1.6 2,-0.2 56,-0.2 58,-0.2 -0.255 19.7-172.7 -55.5 135.2 15.7 -7.4 7.6 13 598 A V - 0 0 54 56,-2.8 2,-0.8 0, 0.0 -1,-0.1 -0.709 30.0-103.6-125.1 173.9 16.4 -9.1 10.9 14 599 A N - 0 0 115 -2,-0.2 2,-0.3 56,-0.1 56,-0.1 -0.830 40.0-174.0-107.0 96.9 19.0 -11.4 12.3 15 600 A V - 0 0 1 -2,-0.8 2,-0.3 56,-0.1 56,-0.1 -0.718 3.2-177.4 -95.5 140.3 17.6 -15.0 12.5 16 601 A I E -H 60 0B 58 44,-2.4 44,-2.8 -2,-0.3 2,-0.2 -0.931 28.4-104.8-132.3 159.5 19.5 -17.9 14.1 17 602 A L E -H 59 0B 4 15,-2.8 2,-0.9 -2,-0.3 42,-0.3 -0.587 19.1-136.6 -85.8 143.9 18.7 -21.6 14.5 18 603 A D >> - 0 0 58 40,-2.9 3,-1.3 -2,-0.2 4,-0.6 -0.817 18.3-172.7 -99.6 94.4 17.6 -23.1 17.8 19 604 A A T 34 S+ 0 0 23 -2,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.697 79.1 64.2 -65.9 -19.4 19.6 -26.3 17.9 20 605 A E T 34 S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.1 29,-0.1 0.788 101.5 49.5 -73.4 -29.7 17.8 -27.4 21.1 21 606 A T T <4 S+ 0 0 1 -3,-1.3 30,-1.7 37,-0.2 -1,-0.2 0.669 91.3 121.0 -75.4 -18.5 14.4 -27.6 19.2 22 607 A A S < S- 0 0 0 -4,-0.6 35,-0.2 -3,-0.3 22,-0.1 -0.128 76.5-105.0 -69.1 140.4 15.9 -29.6 16.4 23 608 A Y > - 0 0 47 33,-1.9 3,-2.2 27,-0.2 29,-0.1 -0.364 47.3-115.9 -44.3 129.1 15.0 -33.1 15.1 24 609 A P T 3 S+ 0 0 10 0, 0.0 20,-1.7 0, 0.0 -1,-0.1 0.579 109.0 60.9 -66.0 -11.9 17.9 -35.0 16.5 25 610 A N T 3 S+ 0 0 13 18,-0.2 13,-2.7 13,-0.1 2,-0.2 0.377 82.8 108.1 -91.8 4.6 19.5 -36.1 13.1 26 611 A L E < -B 37 0A 1 -3,-2.2 2,-0.4 11,-0.2 11,-0.2 -0.521 57.6-151.0 -81.0 149.2 20.0 -32.4 12.2 27 612 A I E -B 36 0A 37 9,-2.9 9,-2.2 -2,-0.2 2,-0.4 -0.982 11.1-157.3-124.4 133.6 23.5 -31.0 12.1 28 613 A F E -B 35 0A 35 -2,-0.4 7,-0.2 7,-0.2 2,-0.0 -0.878 15.6-120.4-117.1 141.4 24.1 -27.3 12.7 29 614 A S > - 0 0 37 5,-1.9 3,-1.3 -2,-0.4 -1,-0.0 -0.292 33.9-109.7 -68.7 162.8 26.9 -24.9 11.8 30 615 A D T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.853 120.1 52.1 -64.3 -34.9 28.8 -23.2 14.6 31 616 A D T 3 S- 0 0 104 1,-0.0 -1,-0.3 -15,-0.0 -14,-0.1 0.478 107.9-127.0 -82.3 -1.3 27.3 -19.8 13.7 32 617 A L S < S+ 0 0 53 -3,-1.3 -15,-2.8 2,-0.1 -2,-0.1 0.760 82.0 110.0 60.8 29.9 23.8 -21.4 13.9 33 618 A K + 0 0 43 -17,-0.2 154,-3.1 1,-0.1 2,-0.4 0.581 69.9 53.7-103.8 -16.9 23.0 -20.1 10.4 34 619 A S E - C 0 186A 22 152,-0.2 -5,-1.9 -17,-0.1 2,-0.3 -0.930 55.5-179.6-126.1 147.8 23.0 -23.5 8.6 35 620 A V E +BC 28 185A 1 150,-1.9 150,-2.4 -2,-0.4 2,-0.3 -0.998 6.4 171.6-142.1 137.2 21.2 -26.8 9.1 36 621 A R E -B 27 0A 83 -9,-2.2 -9,-2.9 -2,-0.3 2,-0.6 -0.938 37.6-102.8-139.2 163.3 21.4 -30.0 7.2 37 622 A L E -B 26 0A 19 -2,-0.3 -11,-0.2 144,-0.2 3,-0.1 -0.800 38.2-159.5 -90.0 118.6 20.2 -33.6 7.6 38 623 A G - 0 0 3 -13,-2.7 138,-0.1 -2,-0.6 -13,-0.1 -0.190 33.7 -72.9 -83.6-179.1 22.9 -35.9 8.8 39 624 A N > - 0 0 50 1,-0.1 3,-2.0 -2,-0.0 -1,-0.2 -0.316 53.6 -97.4 -69.6 163.2 23.0 -39.7 8.5 40 625 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.621 122.1 56.1 -61.6 -12.4 20.7 -41.8 10.7 41 626 A W T 3 S+ 0 0 184 -16,-0.1 2,-0.8 1,-0.0 -1,-0.3 0.550 84.8 88.2 -98.2 -8.7 23.5 -42.4 13.2 42 627 A E < + 0 0 67 -3,-2.0 2,-0.3 -17,-0.1 -4,-0.2 -0.817 60.1 171.0 -93.5 111.1 24.4 -38.7 13.9 43 628 A R - 0 0 127 -2,-0.8 -18,-0.2 -18,-0.1 3,-0.1 -0.915 28.4-130.6-126.9 147.6 22.3 -37.5 16.8 44 629 A L - 0 0 36 -20,-1.7 2,-0.5 -2,-0.3 3,-0.1 -0.440 55.5 -67.3 -85.8 164.1 22.1 -34.4 19.0 45 630 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.375 67.6-119.3 -53.4 104.5 21.8 -34.5 22.8 46 631 A D + 0 0 114 -2,-0.5 -26,-0.0 -3,-0.1 -3,-0.0 0.011 45.0 158.6 -52.6 151.8 18.4 -36.0 23.2 47 632 A G > - 0 0 21 -3,-0.1 3,-1.2 -26,-0.0 -3,-0.0 -0.974 53.3-111.7-170.5 158.2 15.6 -34.1 25.0 48 633 A P T 3 S+ 0 0 119 0, 0.0 44,-0.1 0, 0.0 4,-0.1 0.446 111.0 66.6 -76.5 -0.8 11.8 -33.8 25.5 49 634 A Q T 3 S+ 0 0 64 -29,-0.1 2,-0.1 2,-0.1 -3,-0.0 0.510 83.3 99.0 -96.7 -6.9 12.0 -30.4 23.7 50 635 A R S < S- 0 0 6 -3,-1.2 2,-0.3 1,-0.1 -28,-0.2 -0.419 81.9-105.8 -84.3 154.3 13.0 -31.8 20.3 51 636 A F - 0 0 2 -30,-1.7 41,-0.2 5,-0.3 -1,-0.1 -0.630 34.0-170.9 -69.2 131.6 10.9 -32.6 17.2 52 637 A D S S+ 0 0 78 39,-0.9 -1,-0.1 -2,-0.3 40,-0.1 0.705 75.0 12.6-102.7 -24.4 10.6 -36.4 17.1 53 638 A S S S+ 0 0 46 38,-0.5 2,-0.5 40,-0.5 41,-0.1 0.657 110.2 72.5-126.1 -32.7 9.0 -37.2 13.7 54 639 A C S S- 0 0 15 39,-0.5 2,-2.5 37,-0.4 -31,-0.2 -0.785 78.3-129.4 -92.3 130.7 9.2 -34.0 11.6 55 640 A I + 0 0 33 -2,-0.5 119,-0.5 -33,-0.1 2,-0.3 -0.427 64.6 133.6 -77.2 72.6 12.6 -33.0 10.3 56 641 A I - 0 0 4 -2,-2.5 -33,-1.9 116,-0.1 2,-0.3 -0.876 39.3-170.7-129.2 151.9 12.2 -29.5 11.6 57 642 A V E -I 171 0C 0 114,-2.3 114,-2.3 -2,-0.3 2,-0.2 -0.993 18.5-136.0-140.0 143.9 14.0 -26.8 13.5 58 643 A L E -I 170 0C 0 -40,-0.5 -40,-2.9 -2,-0.3 112,-0.2 -0.618 16.9-144.9 -93.1 156.8 12.8 -23.5 14.9 59 644 A G E -H 17 0B 0 110,-2.7 -42,-0.2 -42,-0.3 -44,-0.0 -0.681 20.5 -89.7-114.1 172.1 14.6 -20.2 14.7 60 645 A S E S+H 16 0B 40 -44,-2.8 -44,-2.4 -2,-0.2 2,-0.1 -0.934 80.3 52.2-128.5 154.0 15.0 -17.2 16.9 61 646 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.462 59.9-154.6 -85.5 161.9 14.0 -14.6 17.7 62 647 A S - 0 0 59 106,-0.2 2,-0.3 -2,-0.1 106,-0.2 -0.668 24.7-174.5 -80.4 153.9 10.3 -15.1 18.5 63 648 A F B -J 167 0C 8 104,-2.1 104,-2.7 -2,-0.3 3,-0.1 -0.988 33.0-170.4-150.0 160.4 8.5 -11.9 18.0 64 649 A L + 0 0 108 -2,-0.3 2,-0.3 102,-0.2 101,-0.1 0.059 69.3 43.5-142.6 33.6 5.0 -10.4 18.5 65 650 A S S S+ 0 0 62 74,-0.0 -1,-0.1 75,-0.0 74,-0.0 -0.986 83.3 11.9-167.9 160.1 5.2 -7.0 16.8 66 651 A G S S- 0 0 37 -2,-0.3 73,-2.8 72,-0.1 2,-0.4 -0.022 85.6 -47.2 71.8-163.2 6.3 -5.1 13.7 67 652 A R E - D 0 138A 130 71,-0.2 2,-0.4 72,-0.1 71,-0.2 -0.937 53.7-177.1-116.1 133.2 7.6 -6.0 10.3 68 653 A R E - D 0 137A 60 69,-2.4 69,-3.0 -2,-0.4 2,-0.4 -0.999 5.0-175.2-139.6 134.3 10.4 -8.7 10.0 69 654 A Y E +aD 12 136A 0 -58,-2.0 -56,-2.8 -2,-0.4 2,-0.3 -0.984 6.8 167.7-132.4 138.3 12.2 -10.0 7.0 70 655 A W E - D 0 135A 6 65,-2.2 65,-2.9 -2,-0.4 2,-0.4 -0.970 18.2-145.7-144.7 162.0 14.8 -12.8 6.6 71 656 A E E -ED 188 134A 2 117,-0.5 117,-2.1 -2,-0.3 2,-0.4 -0.966 7.3-163.2-132.1 146.9 16.3 -14.7 3.7 72 657 A V E -ED 187 133A 0 61,-2.6 61,-2.5 -2,-0.4 2,-0.5 -0.994 18.7-131.5-135.4 127.5 17.5 -18.3 3.3 73 658 A E E +ED 186 132A 81 113,-3.3 113,-1.8 -2,-0.4 59,-0.3 -0.695 29.8 166.2 -75.3 124.5 19.7 -19.9 0.7 74 659 A V > + 0 0 4 57,-2.2 3,-2.0 -2,-0.5 58,-0.2 0.518 18.7 174.1-111.8 -18.4 18.1 -23.0 -0.7 75 660 A G T 3 - 0 0 31 56,-2.3 -1,-0.1 1,-0.2 57,-0.0 -0.119 64.7 -19.5 53.2-133.3 20.5 -23.4 -3.6 76 661 A D T 3 S+ 0 0 128 55,-0.0 -1,-0.2 2,-0.0 55,-0.1 0.153 94.6 139.2 -99.1 18.3 20.1 -26.5 -5.7 77 662 A K < - 0 0 8 -3,-2.0 104,-0.2 1,-0.1 3,-0.1 -0.210 46.6-148.9 -59.9 156.4 18.3 -28.4 -3.0 78 663 A T S S+ 0 0 10 1,-0.3 2,-0.3 97,-0.2 -1,-0.1 0.489 75.3 23.2-109.6 -8.6 15.3 -30.6 -4.1 79 664 A A + 0 0 18 94,-0.2 -1,-0.3 -5,-0.1 2,-0.3 -0.965 65.1 133.8-157.8 146.4 13.2 -30.4 -0.9 80 665 A W E -K 108 0C 4 28,-1.6 28,-2.6 -2,-0.3 2,-0.4 -0.961 35.0-132.3-174.7 165.7 12.7 -28.0 2.0 81 666 A I E +KL 107 172C 26 91,-2.1 91,-2.1 -2,-0.3 2,-0.3 -0.999 26.3 172.0-131.0 135.3 10.2 -26.2 4.2 82 667 A L E +KL 106 171C 0 24,-2.5 24,-2.7 -2,-0.4 2,-0.3 -0.998 26.6 76.3-139.0 146.5 10.4 -22.5 5.1 83 668 A G E -KL 105 170C 1 87,-1.6 87,-2.1 -2,-0.3 2,-0.3 -0.982 67.5 -65.0 161.9-143.0 8.2 -20.0 6.9 84 669 A A E -KL 104 169C 1 20,-2.2 20,-2.9 -2,-0.3 2,-0.3 -0.931 35.7-172.5-136.7 163.6 7.0 -19.0 10.3 85 670 A C E -KL 103 168C 0 83,-2.4 83,-2.6 -2,-0.3 18,-0.2 -0.963 35.8 -89.0-151.0 160.3 4.9 -20.7 13.1 86 671 A K E > - 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