==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, METAL BINDING PROTE16-APR-09 3H3E . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN TM1679; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR D.R.COOPER,N.OLEKHNOVITCH,U.DEREWENDA,Z.S.DEREWENDA, . 256 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 17.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 0 3 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 1 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 0 A H 0 0 144 0, 0.0 2,-0.5 0, 0.0 254,-0.2 0.000 360.0 360.0 360.0 156.0 29.1 80.9 44.1 2 1 A X E -A 254 0A 11 252,-2.6 252,-1.9 25,-0.0 2,-0.3 -0.953 360.0-151.7-115.0 125.7 28.2 78.1 41.7 3 2 A R E -A 253 0A 112 -2,-0.5 24,-2.5 250,-0.2 2,-0.4 -0.686 8.4-164.5-103.5 148.0 30.5 77.3 38.8 4 3 A I E -AB 252 26A 0 248,-2.5 248,-2.5 -2,-0.3 2,-0.4 -0.994 5.6-169.6-127.9 137.2 29.8 75.8 35.3 5 4 A H E -AB 251 25A 12 20,-2.9 20,-3.0 -2,-0.4 2,-0.7 -0.977 20.3-141.3-130.3 124.6 32.5 74.5 32.9 6 5 A V E + B 0 24A 2 244,-2.7 18,-0.3 -2,-0.4 3,-0.1 -0.716 25.5 173.9 -78.7 116.7 32.0 73.4 29.3 7 6 A L E + 0 0 0 16,-2.5 2,-0.3 -2,-0.7 35,-0.3 0.663 65.8 20.5-100.3 -20.1 34.3 70.4 29.1 8 7 A C E + B 0 23A 0 15,-2.3 15,-1.9 -3,-0.1 -1,-0.3 -0.980 69.3 134.6-150.5 139.2 33.4 69.3 25.6 9 8 A D - 0 0 3 -2,-0.3 10,-1.4 8,-0.3 13,-0.1 -0.962 62.3 -96.8-168.5 168.8 31.8 71.2 22.6 10 9 A D S S+ 0 0 57 -2,-0.3 2,-0.2 8,-0.2 10,-0.1 0.824 107.9 47.5 -70.8 -28.4 32.3 71.6 18.9 11 10 A S - 0 0 66 235,-0.1 237,-2.3 6,-0.1 2,-0.3 -0.571 69.9-171.9-104.9 171.1 34.3 74.8 19.4 12 11 A S - 0 0 45 235,-0.3 2,-0.2 -2,-0.2 6,-0.1 -0.988 23.6-121.5-162.4 149.8 37.1 75.6 21.8 13 12 A Q > - 0 0 100 -2,-0.3 3,-2.3 1,-0.1 235,-0.0 -0.601 63.5 -67.1 -86.9 158.0 39.3 78.4 23.2 14 13 A N T 3 S+ 0 0 171 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.173 125.4 24.3 -48.4 122.7 43.1 78.1 22.7 15 14 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 -0.041 102.1 96.7 113.9 -30.5 44.4 75.2 24.7 16 15 A F < - 0 0 34 -3,-2.3 -1,-0.3 1,-0.0 2,-0.2 -0.711 68.2-129.2 -99.2 142.6 41.2 73.2 24.9 17 16 A E - 0 0 93 -2,-0.3 2,-0.3 21,-0.2 -8,-0.3 -0.488 22.2-158.8 -87.4 158.8 40.3 70.3 22.6 18 17 A S + 0 0 56 -2,-0.2 2,-0.3 -10,-0.1 -8,-0.2 -0.989 16.4 162.0-138.9 145.6 37.0 70.1 20.8 19 18 A E - 0 0 20 -10,-1.4 2,-1.4 -2,-0.3 -8,-0.1 -0.936 54.2 -78.7-145.1 172.9 34.9 67.4 19.2 20 19 A H S S+ 0 0 80 -2,-0.3 2,-0.3 -10,-0.1 -10,-0.1 -0.689 97.2 74.7 -72.1 96.3 31.3 66.9 18.0 21 20 A G S S- 0 0 0 -2,-1.4 2,-0.4 13,-0.1 -2,-0.3 -0.885 71.0-115.5 172.7 170.8 29.7 66.2 21.4 22 21 A F + 0 0 0 40,-1.5 12,-2.3 -2,-0.3 2,-0.3 -0.966 30.8 156.3-129.0 138.9 28.6 68.0 24.5 23 22 A S E +B 8 0A 0 -15,-1.9 -16,-2.5 -2,-0.4 -15,-2.3 -0.870 9.7 177.9-158.0 131.1 29.7 67.8 28.2 24 23 A V E -BC 6 31A 0 7,-2.6 7,-2.9 -2,-0.3 2,-0.5 -0.995 23.1-139.4-139.9 129.0 29.4 70.4 30.9 25 24 A L E -BC 5 30A 11 -20,-3.0 -20,-2.9 -2,-0.4 2,-0.6 -0.781 19.7-169.8 -86.0 123.4 30.4 70.3 34.5 26 25 A V E > -BC 4 29A 0 3,-2.9 3,-1.5 -2,-0.5 2,-0.4 -0.860 52.6 -71.6-121.9 95.8 27.7 72.0 36.6 27 26 A D T 3 S- 0 0 82 -24,-2.5 -22,-0.0 -2,-0.6 -1,-0.0 -0.417 118.9 -6.0 55.1-110.4 28.8 72.5 40.2 28 27 A S T 3 S+ 0 0 65 -2,-0.4 25,-0.5 -3,-0.1 2,-0.3 0.181 125.9 65.7-103.5 16.8 28.8 69.0 41.6 29 28 A V E < S-C 26 0A 1 -3,-1.5 -3,-2.9 23,-0.1 2,-0.6 -0.990 70.5-133.5-140.8 142.0 27.3 67.0 38.8 30 29 A L E -Cd 25 54A 0 23,-2.7 25,-3.1 -2,-0.3 2,-0.7 -0.894 14.7-155.0-102.1 124.1 28.6 66.3 35.2 31 30 A F E -Cd 24 55A 0 -7,-2.9 -7,-2.6 -2,-0.6 25,-0.2 -0.866 62.6 -26.0-100.2 109.4 26.0 66.7 32.4 32 31 A D - 0 0 0 23,-3.1 -8,-0.2 -2,-0.7 32,-0.2 0.208 57.0-131.4 66.7 166.6 26.9 64.5 29.4 33 32 A T - 0 0 0 30,-2.4 6,-0.3 1,-0.3 -10,-0.3 0.147 33.2-125.9-144.1 20.6 30.4 63.3 28.5 34 33 A G - 0 0 0 -12,-2.3 32,-1.3 28,-0.2 31,-1.2 -0.095 43.6 -64.4 65.8-162.8 31.0 63.9 24.8 35 34 A K S S- 0 0 101 30,-0.3 -1,-0.1 27,-0.2 2,-0.1 0.840 110.0 -9.0 -90.5 -44.5 32.1 61.3 22.1 36 35 A S S S- 0 0 22 26,-0.1 3,-0.5 30,-0.1 4,-0.2 -0.225 103.5 -52.3-130.7-140.3 35.5 60.4 23.6 37 36 A D S >> S+ 0 0 35 1,-0.2 4,-2.0 2,-0.1 3,-0.5 0.284 92.7 108.8 -97.1 11.0 37.9 61.5 26.3 38 37 A V H 3> S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 76.5 56.2 -50.8 -44.1 38.0 65.2 25.2 39 38 A F H 3> S+ 0 0 0 -3,-0.5 4,-2.1 -6,-0.3 -1,-0.2 0.892 108.9 47.1 -57.0 -38.8 36.0 66.1 28.3 40 39 A L H <> S+ 0 0 29 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.864 110.6 50.5 -69.9 -39.8 38.6 64.5 30.6 41 40 A K H X S+ 0 0 73 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.910 112.5 46.9 -68.9 -40.8 41.5 66.1 28.9 42 41 A N H X S+ 0 0 2 -4,-2.5 4,-1.3 -35,-0.3 -2,-0.2 0.904 111.4 52.3 -63.6 -41.8 39.9 69.5 29.2 43 42 A A H <>S+ 0 0 2 -4,-2.1 5,-2.7 -5,-0.2 3,-0.4 0.918 109.4 48.4 -60.0 -45.4 39.1 68.7 32.8 44 43 A R H ><5S+ 0 0 159 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.892 105.3 59.2 -61.7 -38.6 42.8 67.8 33.5 45 44 A K H 3<5S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.848 111.8 40.5 -56.8 -33.5 43.8 71.0 31.7 46 45 A L T 3<5S- 0 0 61 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.394 113.4-122.1 -94.8 1.1 41.7 72.8 34.4 47 46 A G T < 5 + 0 0 63 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.836 59.2 154.5 61.2 34.6 43.0 70.5 37.1 48 47 A I < - 0 0 40 -5,-2.7 2,-0.5 -8,-0.1 -1,-0.2 -0.791 41.2-143.2 -98.7 136.1 39.4 69.4 37.9 49 48 A D - 0 0 151 -2,-0.4 -5,-0.0 -5,-0.0 0, 0.0 -0.833 27.4-126.1 -88.7 129.0 38.3 66.2 39.5 50 49 A L - 0 0 27 -2,-0.5 4,-0.1 1,-0.1 -22,-0.1 -0.492 26.7-114.3 -79.5 150.8 35.0 65.0 38.1 51 50 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 -0.190 21.4-107.5 -82.5 171.8 32.2 64.2 40.5 52 51 A K S S+ 0 0 125 -24,-0.1 22,-2.3 21,-0.1 2,-0.5 0.869 97.5 73.7 -62.6 -39.0 30.6 60.9 41.2 53 52 A D E + e 0 74A 23 -25,-0.5 -23,-2.7 20,-0.2 2,-0.5 -0.700 54.7 179.6 -95.8 122.7 27.3 61.8 39.4 54 53 A V E -de 30 75A 1 20,-2.2 22,-2.7 -2,-0.5 2,-0.4 -0.979 12.2-157.1-118.3 125.4 27.1 61.9 35.7 55 54 A L E -de 31 76A 0 -25,-3.1 -23,-3.1 -2,-0.5 2,-0.6 -0.847 4.9-149.0-103.7 139.5 23.7 62.7 34.1 56 55 A I - 0 0 2 20,-2.6 22,-0.3 -2,-0.4 3,-0.1 -0.928 7.1-164.4-114.1 117.5 22.9 61.7 30.5 57 56 A S S S- 0 0 1 -2,-0.6 96,-2.2 1,-0.2 2,-0.3 0.830 75.2 -22.6 -68.8 -35.1 20.6 63.9 28.5 58 57 A H - 0 0 0 94,-0.2 2,-0.8 2,-0.2 -1,-0.2 -0.957 70.0 -96.1-169.6 160.7 19.9 61.2 25.9 59 58 A G S S+ 0 0 0 -2,-0.3 26,-0.3 -3,-0.1 35,-0.3 -0.100 70.1 129.9 -84.3 40.3 21.5 58.0 24.6 60 59 A H >> - 0 0 7 -2,-0.8 4,-2.4 33,-0.1 3,-1.9 -0.661 66.9-118.3 -84.4 150.4 23.3 59.4 21.5 61 60 A Y H 3> S+ 0 0 66 31,-1.9 4,-1.3 1,-0.3 5,-0.1 0.810 111.5 57.9 -54.4 -38.7 27.0 58.6 21.0 62 61 A D H 34 S+ 0 0 8 30,-0.2 -40,-1.5 1,-0.2 -1,-0.3 0.450 116.9 34.4 -77.6 0.5 28.1 62.2 21.2 63 62 A H H <4 S+ 0 0 0 -3,-1.9 -30,-2.4 -42,-0.2 -2,-0.2 0.637 127.3 32.7-121.1 -32.6 26.6 62.5 24.7 64 63 A A H >< S+ 0 0 1 -4,-2.4 3,-1.0 -32,-0.2 4,-0.2 0.421 94.6 91.6-105.5 0.6 27.1 59.2 26.3 65 64 A G G >< S+ 0 0 9 -4,-1.3 3,-1.8 -31,-1.2 -30,-0.3 0.840 75.2 59.8 -72.8 -37.7 30.4 58.2 24.6 66 65 A G G > S+ 0 0 0 -32,-1.3 3,-1.8 1,-0.3 -1,-0.3 0.554 84.3 82.8 -69.2 -6.4 32.9 59.5 27.1 67 66 A L G X S+ 0 0 1 -3,-1.0 3,-1.6 1,-0.3 -1,-0.3 0.741 76.4 71.9 -65.5 -22.1 31.4 57.2 29.6 68 67 A L G < S+ 0 0 79 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.578 96.9 51.3 -65.2 -9.7 33.6 54.6 28.0 69 68 A Y G < S+ 0 0 116 -3,-1.8 2,-0.3 -33,-0.1 -1,-0.3 0.289 101.4 75.1-111.6 4.9 36.4 56.5 29.7 70 69 A L < - 0 0 14 -3,-1.6 2,-0.3 -4,-0.0 32,-0.1 -0.876 54.1-170.9-118.6 151.7 34.9 56.5 33.2 71 70 A S + 0 0 82 -2,-0.3 32,-0.2 1,-0.0 3,-0.1 -0.979 67.6 17.7-133.6 149.6 34.5 53.8 35.9 72 71 A G S S+ 0 0 56 30,-3.1 31,-0.2 -2,-0.3 2,-0.1 0.540 83.1 137.9 74.1 6.5 32.6 53.8 39.2 73 72 A K - 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