==== 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 17-NOV-04 1WCJ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM0487; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.S.ALMEIDA,W.PETI,T.HERRMANN,K.WUTHRICH, . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1 0 0 0 1 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 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 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 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 2 A M 0 0 206 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.5 19.7 14.3 -4.4 2 3 A S - 0 0 90 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.973 360.0-136.5-156.8 168.4 19.4 12.6 -1.0 3 4 A K + 0 0 156 -2,-0.3 2,-0.3 70,-0.1 70,-0.1 -0.501 66.6 104.2-133.5 62.0 19.1 9.1 0.8 4 5 A K - 0 0 79 36,-0.1 2,-0.1 -2,-0.1 35,-0.1 -0.804 55.4-159.4-141.8 91.6 16.4 9.6 3.5 5 6 A V - 0 0 6 -2,-0.3 2,-0.3 33,-0.2 36,-0.2 -0.357 12.6-170.2 -75.6 155.3 13.2 7.9 2.3 6 7 A T > - 0 0 47 -2,-0.1 4,-2.2 35,-0.1 5,-0.2 -0.868 42.5 -95.6-143.6 167.9 9.9 8.9 3.8 7 8 A K H > S+ 0 0 114 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.861 123.4 58.2 -56.5 -35.8 6.2 8.1 4.1 8 9 A E H > S+ 0 0 121 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 108.3 43.1 -58.4 -49.9 5.7 10.7 1.3 9 10 A D H > S+ 0 0 76 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.833 113.8 51.6 -72.5 -34.6 8.1 8.9 -1.1 10 11 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.887 111.5 46.9 -67.2 -41.5 6.6 5.4 -0.2 11 12 A L H X S+ 0 0 41 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.979 112.4 50.7 -63.9 -51.4 3.0 6.7 -0.9 12 13 A N H < S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.746 110.9 48.9 -59.6 -29.2 4.2 8.3 -4.1 13 14 A A H >< S+ 0 0 9 -4,-1.4 3,-0.9 1,-0.1 4,-0.5 0.934 109.9 49.7 -73.5 -48.8 5.9 5.0 -5.2 14 15 A L H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.3 12,-0.3 0.808 89.8 83.2 -63.9 -27.4 2.8 2.9 -4.4 15 16 A K T 3< S+ 0 0 109 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.217 90.6 53.2 -58.1 11.0 0.6 5.4 -6.5 16 17 A N T < S+ 0 0 108 -3,-0.9 -1,-0.2 -2,-0.3 -2,-0.2 0.709 92.0 78.8-107.7 -50.6 1.7 3.4 -9.6 17 18 A V < - 0 0 13 -3,-0.6 2,-0.4 -4,-0.5 9,-0.2 -0.115 67.2-147.7 -61.3 156.8 0.8 -0.2 -8.7 18 19 A I - 0 0 70 7,-0.2 2,-0.9 8,-0.1 7,-0.2 -0.988 18.5-127.1-129.2 141.0 -2.8 -1.5 -9.0 19 20 A D B >>> -A 24 0A 2 5,-2.6 4,-3.2 -2,-0.4 3,-2.0 -0.805 26.7-152.4 -75.0 103.2 -4.8 -4.0 -7.0 20 21 A F T 345S+ 0 0 145 -2,-0.9 -1,-0.2 1,-0.3 5,-0.0 0.879 91.0 59.7 -47.2 -45.2 -5.9 -6.1 -10.0 21 22 A E T 345S+ 0 0 95 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.631 121.3 23.4 -62.5 -18.6 -9.0 -7.2 -8.1 22 23 A L T <45S- 0 0 30 -3,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.727 95.2-129.8-116.5 -46.6 -10.2 -3.6 -7.7 23 24 A G T <5S+ 0 0 43 -4,-3.2 2,-0.3 1,-0.4 -3,-0.1 0.539 73.9 89.5 99.6 13.2 -8.6 -1.6 -10.5 24 25 A L B - 0 0 8 -2,-0.3 4,-2.3 -7,-0.2 3,-0.2 -0.533 34.2-115.6 -82.8 153.1 -3.9 1.9 -6.4 26 27 A V H >>S+ 0 0 1 -12,-0.3 4,-1.6 2,-0.2 5,-0.9 0.841 115.6 56.7 -53.5 -44.3 -3.5 1.0 -2.7 27 28 A V H 45S+ 0 0 36 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.929 110.9 45.4 -60.6 -39.9 -3.1 4.6 -1.6 28 29 A S H 45S+ 0 0 39 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.883 111.8 51.4 -66.2 -41.6 -6.5 5.3 -3.3 29 30 A L H <5S- 0 0 1 -4,-2.3 -1,-0.2 63,-0.1 -2,-0.2 0.715 106.9-132.9 -67.1 -21.0 -8.0 2.2 -1.7 30 31 A G T <5 + 0 0 14 -4,-1.6 -3,-0.2 -3,-0.3 61,-0.1 0.987 59.4 136.6 63.6 62.8 -6.7 3.5 1.7 31 32 A L < + 0 0 2 -5,-0.9 2,-0.8 60,-0.1 3,-0.1 0.685 39.4 95.3-106.6 -31.9 -5.1 0.2 3.1 32 33 A V + 0 0 23 -6,-0.2 15,-0.3 1,-0.2 3,-0.1 -0.537 48.8 177.7 -64.5 102.8 -1.9 1.6 4.5 33 34 A Y + 0 0 102 13,-2.3 2,-0.3 -2,-0.8 -1,-0.2 0.956 66.8 3.9 -67.1 -54.8 -2.9 2.1 8.1 34 35 A D E -B 46 0B 76 12,-1.2 12,-2.2 -3,-0.1 2,-0.3 -0.955 58.5-163.5-143.0 147.5 0.5 3.4 9.3 35 36 A I E +B 45 0B 20 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.909 13.0 171.6-143.9 106.4 3.9 4.2 7.6 36 37 A Q E -B 44 0B 82 8,-2.7 8,-2.6 -2,-0.3 2,-0.4 -0.918 10.8-167.4-112.7 138.9 7.1 4.6 9.7 37 38 A I E -B 43 0B 25 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.901 14.0-144.7-136.2 100.3 10.4 5.0 7.9 38 39 A D > - 0 0 91 4,-1.7 3,-1.4 -2,-0.4 -33,-0.2 -0.053 28.1-108.9 -57.9 166.3 13.5 4.6 10.1 39 40 A D T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.2 -34,-0.1 0.662 123.3 64.1 -81.2 -10.6 16.6 6.7 9.4 40 41 A Q T 3 S- 0 0 136 2,-0.1 -1,-0.3 -36,-0.1 35,-0.1 0.056 124.1-111.7 -86.6 19.9 18.3 3.5 8.2 41 42 A N < + 0 0 12 -3,-1.4 2,-1.2 1,-0.2 35,-0.9 0.742 58.8 164.4 51.9 33.3 15.5 3.8 5.5 42 43 A N E - c 0 76B 38 33,-0.2 -4,-1.7 32,-0.1 2,-0.6 -0.717 30.3-149.4 -73.3 94.8 13.7 0.7 6.8 43 44 A V E -Bc 37 77B 0 33,-2.1 35,-2.7 -2,-1.2 2,-0.5 -0.723 22.0-177.9 -74.4 116.5 10.4 1.4 5.0 44 45 A K E +Bc 36 78B 83 -8,-2.6 -8,-2.7 -2,-0.6 2,-0.4 -0.954 4.7 177.1-136.6 112.0 7.8 -0.1 7.4 45 46 A V E -Bc 35 79B 2 33,-1.5 35,-2.8 -2,-0.5 2,-1.0 -0.959 29.7-144.3-126.3 127.3 4.1 -0.1 6.6 46 47 A L E +Bc 34 80B 49 -12,-2.2 -13,-2.3 -2,-0.4 -12,-1.2 -0.838 47.2 150.5 -79.3 103.5 1.0 -1.5 8.4 47 48 A M E + c 0 81B 5 33,-2.1 35,-2.4 -2,-1.0 2,-0.2 -0.726 18.4 172.1-118.5 177.3 -0.9 -2.5 5.3 48 49 A T - 0 0 3 -2,-0.3 2,-0.3 33,-0.2 35,-0.1 -0.845 31.0-101.1-157.7-167.3 -3.5 -5.2 4.8 49 50 A M - 0 0 7 -2,-0.2 38,-0.2 33,-0.2 8,-0.0 -0.830 30.3-110.6-116.2 165.2 -5.9 -6.3 2.0 50 51 A T S S- 0 0 43 -2,-0.3 37,-0.4 1,-0.2 38,-0.1 0.932 100.6 -8.6 -53.3 -46.6 -9.7 -5.7 1.7 51 52 A T > - 0 0 35 35,-0.1 3,-1.1 -3,-0.1 -1,-0.2 -0.989 63.7-117.0-152.9 152.1 -10.2 -9.5 2.3 52 53 A P T 3 S+ 0 0 114 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 0.576 105.2 77.1 -72.1 -6.1 -8.1 -12.7 2.5 53 54 A M T 3 + 0 0 142 3,-0.0 4,-0.0 4,-0.0 -3,-0.0 0.346 62.2 145.9 -80.3 2.4 -9.9 -14.0 -0.6 54 55 A C X - 0 0 10 -3,-1.1 3,-1.1 1,-0.1 4,-0.2 -0.204 50.8-130.4 -56.6 140.6 -7.8 -11.8 -2.9 55 56 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.889 92.5 8.1 -75.7 -53.7 -7.3 -13.7 -6.1 56 57 A L T >> S+ 0 0 88 1,-0.1 4,-2.2 2,-0.0 3,-1.6 -0.535 80.2 159.4-120.4 55.4 -3.6 -13.7 -6.9 57 58 A A H <> + 0 0 30 -3,-1.1 4,-3.1 1,-0.3 5,-0.3 0.889 68.8 58.2 -45.1 -51.8 -2.7 -12.1 -3.6 58 59 A G H 3> S+ 0 0 55 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.715 110.1 44.1 -60.2 -24.3 0.9 -13.3 -3.9 59 60 A M H <> S+ 0 0 122 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.891 113.8 48.5 -84.5 -43.9 1.3 -11.4 -7.2 60 61 A I H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.945 115.1 45.6 -57.4 -51.3 -0.5 -8.2 -6.0 61 62 A L H X S+ 0 0 53 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.782 110.9 54.1 -64.3 -32.0 1.7 -8.2 -2.8 62 63 A S H X S+ 0 0 50 -4,-0.6 4,-1.9 -5,-0.3 -1,-0.2 0.907 108.9 47.8 -69.6 -40.7 4.8 -8.8 -4.8 63 64 A D H X S+ 0 0 64 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.840 106.3 57.6 -73.1 -27.8 4.1 -5.8 -7.1 64 65 A A H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 3,-0.4 0.955 108.4 46.8 -60.3 -47.1 3.5 -3.7 -3.9 65 66 A E H X S+ 0 0 83 -4,-1.7 4,-3.2 1,-0.2 -2,-0.2 0.885 105.3 62.3 -56.2 -41.4 7.0 -4.7 -3.0 66 67 A E H < S+ 0 0 96 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.845 109.0 39.9 -56.2 -39.2 8.1 -3.8 -6.6 67 68 A A H >< S+ 0 0 0 -4,-1.6 3,-1.5 -3,-0.4 4,-0.4 0.962 116.4 49.7 -71.9 -54.2 7.0 -0.1 -6.0 68 69 A I H >< S+ 0 0 5 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.878 108.7 51.9 -55.4 -45.8 8.4 0.1 -2.4 69 70 A K T 3< S+ 0 0 81 -4,-3.2 -1,-0.3 1,-0.2 4,-0.2 0.630 96.6 69.4 -69.1 -14.9 11.8 -1.4 -3.3 70 71 A K T < + 0 0 129 -3,-1.5 2,-2.5 -4,-0.4 -1,-0.2 0.637 66.3 107.8 -78.4 -12.1 12.4 1.1 -6.2 71 72 A I S X S- 0 0 9 -3,-1.3 3,-2.1 -4,-0.4 2,-0.3 -0.367 80.9-127.3 -82.9 61.0 12.7 4.1 -3.8 72 73 A E T 3 S+ 0 0 152 -2,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.297 102.1 37.8 24.1 43.3 16.5 4.7 -4.2 73 74 A G T 3 S+ 0 0 23 -2,-0.3 2,-1.6 -4,-0.2 -1,-0.3 0.219 74.1 129.4 167.1 -36.1 17.3 4.6 -0.5 74 75 A V < - 0 0 19 -3,-2.1 -32,-0.1 -6,-0.2 -33,-0.1 -0.273 32.1-179.0 -45.7 64.3 14.8 1.8 0.7 75 76 A N + 0 0 116 -2,-1.6 2,-0.3 -34,-0.4 -33,-0.2 0.877 66.3 0.9 -36.2 -54.7 17.4 -0.2 2.6 76 77 A N E -c 42 0B 41 -35,-0.9 -33,-2.1 -36,-0.1 2,-0.5 -0.921 66.3-128.9-146.5 169.2 14.8 -2.8 3.6 77 78 A V E +c 43 0B 45 -2,-0.3 2,-1.1 -35,-0.2 -33,-0.2 -0.899 20.0 177.9-135.4 86.9 11.1 -3.5 3.1 78 79 A E E +c 44 0B 96 -35,-2.7 -33,-1.5 -2,-0.5 2,-1.0 -0.564 12.0 173.6 -98.6 64.9 9.1 -4.2 6.3 79 80 A V E -c 45 0B 54 -2,-1.1 2,-0.3 -35,-0.2 -33,-0.2 -0.683 17.4-156.6 -79.7 102.0 5.6 -4.6 4.7 80 81 A E E -c 46 0B 98 -35,-2.8 -33,-2.1 -2,-1.0 2,-0.5 -0.649 6.4-159.6 -79.5 140.0 3.4 -5.7 7.6 81 82 A L E -c 47 0B 64 -2,-0.3 2,-1.0 -35,-0.2 -33,-0.2 -0.815 7.4-166.4-125.8 77.9 0.2 -7.6 6.4 82 83 A T - 0 0 42 -35,-2.4 -33,-0.2 -2,-0.5 -2,-0.0 -0.624 8.0-178.8 -79.9 101.0 -2.1 -7.2 9.5 83 84 A F + 0 0 106 -2,-1.0 -1,-0.1 1,-0.2 -35,-0.1 0.029 59.5 66.9-101.8 23.5 -4.7 -9.8 8.6 84 85 A D S S+ 0 0 156 2,-0.1 -1,-0.2 0, 0.0 -36,-0.0 0.841 77.1 74.2-109.2 -56.0 -7.1 -9.4 11.6 85 86 A P S S- 0 0 58 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.212 82.2-109.0 -68.0 155.3 -8.9 -6.0 11.6 86 87 A P - 0 0 116 0, 0.0 -35,-0.1 0, 0.0 -36,-0.1 -0.653 28.5-152.8 -74.7 134.7 -11.8 -5.1 9.3 87 88 A W - 0 0 20 -37,-0.4 -37,-0.1 -2,-0.3 -36,-0.0 0.959 27.9-113.0 -70.2 -93.9 -10.5 -2.5 6.8 88 89 A T > - 0 0 52 -38,-0.1 3,-2.1 0, 0.0 4,-0.2 -0.003 8.4-143.5 158.6 114.4 -13.5 -0.3 5.6 89 90 A P G > S+ 0 0 64 0, 0.0 3,-1.2 0, 0.0 13,-0.1 0.798 98.5 69.2 -60.9 -23.2 -14.9 -0.4 2.0 90 91 A E G 3 S+ 0 0 115 1,-0.2 7,-0.1 7,-0.0 6,-0.1 0.541 73.3 87.0 -68.8 -11.1 -15.6 3.3 2.2 91 92 A R G < S+ 0 0 136 -3,-2.1 -1,-0.2 -62,-0.1 -60,-0.1 0.779 76.1 86.8 -65.2 -23.9 -11.8 4.1 2.3 92 93 A M S < S- 0 0 7 -3,-1.2 -63,-0.1 -4,-0.2 5,-0.1 -0.070 100.2 -66.3 -61.6 170.8 -12.0 4.1 -1.6 93 94 A S > - 0 0 41 1,-0.1 4,-1.9 3,-0.1 -1,-0.2 -0.217 43.4-116.1 -57.7 153.7 -12.9 7.2 -3.6 94 95 A P H > S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.870 119.7 51.8 -62.1 -34.5 -16.4 8.6 -3.3 95 96 A E H > S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.894 109.1 50.6 -68.8 -38.7 -17.0 7.7 -7.0 96 97 A L H > S+ 0 0 16 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.821 104.9 57.4 -67.8 -32.5 -15.8 4.1 -6.3 97 98 A R H X>S+ 0 0 83 -4,-1.9 4,-2.8 2,-0.2 5,-2.5 0.985 111.6 40.8 -60.5 -55.4 -18.2 3.8 -3.4 98 99 A E H <5S+ 0 0 169 -4,-1.8 -2,-0.2 4,-0.3 -1,-0.2 0.880 118.0 51.0 -58.6 -41.5 -21.2 4.6 -5.6 99 100 A K H <5S+ 0 0 150 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.969 117.6 34.0 -57.7 -65.6 -19.6 2.4 -8.4 100 101 A F H <5S- 0 0 102 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.931 120.0-101.2 -64.1 -46.3 -19.0 -0.7 -6.3 101 102 A G T <5 0 0 64 -4,-2.8 -3,-0.2 -5,-0.4 -4,-0.1 0.609 360.0 360.0 127.4 41.0 -22.1 -0.3 -4.0 102 103 A V < 0 0 88 -5,-2.5 -4,-0.3 -6,-0.2 -5,-0.1 -0.131 360.0 360.0-138.3 360.0 -20.9 1.2 -0.7