==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-MAY-04 1WHZ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.KANAGAWA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL . 70 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 61.4 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 . 13 18.6 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.9 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 1 0 0 0 2 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 213 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.0 31.5 -4.6 23.1 2 2 A W - 0 0 78 1,-0.0 48,-0.0 2,-0.0 0, 0.0 -0.569 360.0-166.2 -68.9 123.4 27.5 -4.7 23.3 3 3 A X - 0 0 126 -2,-0.4 -1,-0.0 47,-0.0 0, 0.0 -0.911 18.3-132.0-117.7 113.1 26.6 -4.3 26.9 4 4 A P - 0 0 40 0, 0.0 46,-0.0 0, 0.0 2,-0.0 -0.406 25.6-131.9 -67.8 116.5 22.8 -5.2 27.5 5 5 A P - 0 0 17 0, 0.0 43,-2.0 0, 0.0 48,-0.0 -0.288 14.7-113.3 -68.9 154.3 21.2 -2.4 29.6 6 6 A R >> - 0 0 140 41,-0.2 4,-2.2 1,-0.1 3,-1.0 -0.691 22.6-129.6 -83.0 134.1 19.1 -3.0 32.6 7 7 A P H 3> S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.855 107.1 53.8 -52.4 -41.4 15.4 -2.1 32.1 8 8 A E H 3> S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.786 107.3 50.6 -68.9 -27.8 15.2 -0.0 35.2 9 9 A E H <> S+ 0 0 50 -3,-1.0 4,-2.2 2,-0.2 5,-0.2 0.872 109.4 50.6 -73.1 -40.0 18.2 2.0 34.2 10 10 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.947 111.1 50.3 -55.7 -46.3 16.6 2.6 30.8 11 11 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.899 107.6 52.4 -64.0 -40.6 13.4 3.8 32.7 12 12 A R H X S+ 0 0 84 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.919 110.6 48.1 -60.9 -42.5 15.4 6.1 34.9 13 13 A K H X S+ 0 0 11 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.928 111.7 49.5 -64.8 -42.2 17.0 7.8 31.8 14 14 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.3 1,-0.2 3,-0.8 0.941 109.9 51.1 -59.6 -44.8 13.7 8.1 30.1 15 15 A R H ><5S+ 0 0 114 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.868 103.3 58.8 -61.6 -29.7 12.2 9.7 33.2 16 16 A R H 3<5S+ 0 0 174 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.784 103.9 53.4 -70.0 -25.9 15.2 12.2 33.4 17 17 A L T <<5S- 0 0 58 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.504 130.6 -94.6 -81.0 -10.6 14.1 13.3 29.9 18 18 A G T < 5S+ 0 0 30 -3,-1.3 2,-0.2 -4,-0.5 -3,-0.2 0.505 75.8 144.5 108.1 6.2 10.5 14.0 31.0 19 19 A F < - 0 0 3 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.4 -0.570 33.6-156.3 -70.8 149.1 8.9 10.7 30.1 20 20 A V E -A 32 0A 64 12,-2.9 12,-2.3 -2,-0.2 2,-0.3 -0.951 20.8-109.8-129.9 142.8 6.2 9.6 32.6 21 21 A E E +A 31 0A 95 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.525 38.3 168.5 -73.3 126.6 4.9 6.2 33.4 22 22 A R E + 0 0 161 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.539 64.7 21.8-116.1 -15.6 1.2 5.8 32.2 23 23 A X E -A 30 0A 110 7,-1.3 7,-2.3 2,-0.0 2,-0.4 -0.972 53.3-179.1-152.9 140.2 0.6 2.1 32.5 24 24 A A E +A 29 0A 59 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.926 31.3 123.5-141.8 113.3 2.2 -0.7 34.4 25 25 A K E > +A 28 0A 153 3,-2.1 3,-1.5 -2,-0.4 -2,-0.0 -0.958 61.1 18.3-163.6 145.3 0.9 -4.2 34.0 26 26 A G T 3 S- 0 0 64 -2,-0.3 18,-0.1 1,-0.3 3,-0.1 0.773 126.3 -57.9 64.0 25.1 2.1 -7.6 33.1 27 27 A G T 3 S+ 0 0 39 1,-0.3 16,-3.3 16,-0.1 17,-0.7 0.652 118.7 99.2 79.1 7.5 5.8 -6.8 33.7 28 28 A H E < -AB 25 42A 73 -3,-1.5 -3,-2.1 14,-0.2 2,-0.4 -0.962 53.4-160.0-123.2 155.1 5.7 -4.0 31.2 29 29 A R E -AB 24 41A 37 12,-2.5 12,-2.8 -2,-0.3 2,-0.5 -0.992 8.2-148.2-131.8 148.7 5.4 -0.2 31.6 30 30 A L E -AB 23 40A 50 -7,-2.3 -8,-3.3 -2,-0.4 -7,-1.3 -0.925 16.0-167.3-115.7 132.7 4.4 2.3 29.0 31 31 A Y E -AB 21 39A 0 8,-3.0 8,-2.7 -2,-0.5 2,-0.4 -0.903 2.6-165.6-120.1 139.8 5.9 5.8 29.2 32 32 A T E -AB 20 38A 34 -12,-2.3 -12,-2.9 -2,-0.3 6,-0.2 -0.958 8.2-148.0-124.0 156.1 4.8 9.0 27.3 33 33 A H > - 0 0 33 4,-2.3 3,-2.4 -2,-0.4 -14,-0.2 -0.813 30.8-112.4-114.1 152.2 6.6 12.3 26.9 34 34 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.820 116.8 60.8 -56.0 -25.3 4.9 15.6 26.6 35 35 A D T 3 S- 0 0 98 1,-0.0 -3,-0.0 2,-0.0 0, 0.0 0.448 125.0 -99.5 -83.5 1.7 6.0 15.8 22.9 36 36 A G S < S+ 0 0 50 -3,-2.4 2,-0.1 1,-0.4 -1,-0.0 0.366 72.1 145.0 101.8 -6.8 4.1 12.7 22.1 37 37 A R - 0 0 56 23,-0.1 -4,-2.3 -5,-0.0 2,-0.4 -0.448 30.0-162.8 -61.8 148.3 6.8 10.0 22.1 38 38 A I E +B 32 0A 81 21,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.999 9.9 179.2-137.4 129.4 5.5 6.7 23.5 39 39 A V E -B 31 0A 1 -8,-2.7 -8,-3.0 -2,-0.4 2,-0.4 -0.992 15.2-157.9-137.9 128.4 7.7 3.9 24.6 40 40 A V E -B 30 0A 49 -2,-0.4 -10,-0.2 -10,-0.2 19,-0.1 -0.898 12.8-170.3-102.8 135.1 7.0 0.5 26.1 41 41 A V E -B 29 0A 0 -12,-2.8 -12,-2.5 -2,-0.4 2,-0.4 -0.985 15.5-138.5-127.5 130.5 9.8 -1.2 28.2 42 42 A P E +B 28 0A 13 0, 0.0 -14,-0.2 0, 0.0 -15,-0.1 -0.759 19.7 177.7 -87.3 133.4 9.7 -4.9 29.4 43 43 A F + 0 0 34 -16,-3.3 -15,-0.2 -2,-0.4 -16,-0.1 0.367 53.6 100.5-116.9 8.6 10.8 -5.4 33.0 44 44 A H S S+ 0 0 130 -17,-0.7 2,-0.3 -18,-0.1 -1,-0.1 0.800 84.7 47.2 -72.9 -21.8 10.3 -9.1 33.4 45 45 A S S S- 0 0 61 -18,-0.2 3,-0.0 2,-0.1 0, 0.0 -0.759 81.9-124.0-115.3 160.1 14.1 -9.8 32.8 46 46 A G S S+ 0 0 62 -2,-0.3 2,-0.3 -40,-0.1 -38,-0.1 0.523 93.9 30.1 -80.0 -10.4 17.2 -8.2 34.2 47 47 A E S S- 0 0 118 -41,-0.2 -41,-0.2 -40,-0.1 -2,-0.1 -0.988 81.0-118.8-147.2 151.0 18.7 -7.2 30.9 48 48 A L - 0 0 4 -43,-2.0 2,-0.0 -2,-0.3 -5,-0.0 -0.753 24.8-116.0 -94.3 144.4 17.3 -6.3 27.6 49 49 A P > - 0 0 82 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.364 35.4-112.5 -65.4 156.6 17.8 -8.1 24.3 50 50 A K H > S+ 0 0 111 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.906 116.0 51.8 -58.7 -47.3 19.7 -5.9 21.8 51 51 A G H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.867 109.5 50.3 -60.7 -37.6 16.7 -5.6 19.4 52 52 A T H > S+ 0 0 31 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.916 110.8 49.6 -66.7 -37.8 14.4 -4.5 22.3 53 53 A F H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.932 111.3 48.2 -62.7 -46.1 16.9 -1.9 23.4 54 54 A K H X S+ 0 0 94 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.858 109.7 53.5 -66.9 -31.4 17.2 -0.6 19.8 55 55 A R H X S+ 0 0 79 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.934 109.3 49.6 -64.3 -42.3 13.4 -0.5 19.6 56 56 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.917 109.4 49.3 -63.6 -43.9 13.3 1.6 22.8 57 57 A L H <>S+ 0 0 11 -4,-2.4 5,-2.4 2,-0.2 4,-0.3 0.888 112.5 50.0 -60.9 -43.4 15.9 4.0 21.5 58 58 A R H ><5S+ 0 0 173 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.953 113.9 43.1 -56.6 -52.4 13.9 4.4 18.2 59 59 A D H 3<5S+ 0 0 56 -4,-2.9 -21,-0.4 1,-0.3 -2,-0.2 0.860 114.0 51.6 -69.3 -30.0 10.6 5.0 19.9 60 60 A A T 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.443 108.9-123.8 -78.9 -5.9 12.3 7.4 22.5 61 61 A G T < 5 + 0 0 54 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.886 63.2 142.0 68.3 34.1 13.9 9.4 19.6 62 62 A L < - 0 0 23 -5,-2.4 2,-0.2 -6,-0.2 -1,-0.2 -0.835 48.0-143.7-112.5 153.5 17.4 8.8 21.1 63 63 A T > - 0 0 75 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.636 37.5-108.4 -96.5 170.7 20.9 8.2 19.9 64 64 A E H > S+ 0 0 65 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.877 118.1 55.6 -62.9 -42.4 23.2 5.9 22.0 65 65 A E H > S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 108.2 44.7 -56.2 -48.1 25.3 8.8 23.1 66 66 A E H > S+ 0 0 98 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.887 112.9 54.2 -64.7 -41.1 22.4 10.7 24.5 67 67 A F H >< S+ 0 0 5 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.924 107.2 47.1 -57.3 -50.7 21.2 7.6 26.1 68 68 A H H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 106.1 59.3 -63.4 -27.3 24.4 6.8 28.0 69 69 A N H 3< 0 0 118 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.624 360.0 360.0 -82.5 -6.0 24.9 10.3 29.3 70 70 A L << 0 0 30 -3,-1.1 -57,-0.2 -4,-0.6 -56,-0.1 -0.455 360.0 360.0 -85.2 360.0 21.5 10.3 31.1