==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS 14-JUN-01 1JDQ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM0983; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.Y.DENISOV,G.FINAK,A.YEE,G.KOZLOV,K.GEHRING,C.H.ARROWSMITH . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 14.3 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 1 1.0 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 . 16 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 17.3 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+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 0 0 0 0 0 2 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 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 134 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -88.8 -1.0 7.5 18.1 2 2 A S + 0 0 122 1,-0.0 2,-0.6 2,-0.0 0, 0.0 0.428 360.0 95.1-136.9 -15.5 -4.6 7.3 16.9 3 3 A S + 0 0 99 1,-0.2 3,-0.1 4,-0.0 4,-0.1 -0.749 32.6 131.8 -88.5 121.1 -6.2 4.8 19.3 4 4 A H S S+ 0 0 178 -2,-0.6 2,-0.2 1,-0.3 -1,-0.2 0.551 70.0 2.0-133.6 -40.5 -7.9 6.3 22.3 5 5 A H S S- 0 0 133 1,-0.3 -1,-0.3 0, 0.0 3,-0.1 -0.568 97.9 -40.1-134.6-162.3 -11.4 4.7 22.6 6 6 A H S S- 0 0 150 -2,-0.2 2,-1.0 1,-0.1 -1,-0.3 -0.103 71.6 -86.6 -62.7 165.8 -13.5 2.0 20.9 7 7 A H + 0 0 162 1,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.663 69.2 138.5 -80.6 102.0 -13.7 1.6 17.1 8 8 A H + 0 0 121 -2,-1.0 3,-0.2 -3,-0.1 -1,-0.1 -0.056 44.0 89.9-133.7 31.0 -16.3 4.1 16.0 9 9 A H S S+ 0 0 130 1,-0.2 2,-1.7 2,-0.1 3,-0.2 0.894 92.8 24.7 -89.9 -81.9 -14.7 5.5 12.8 10 10 A S S S+ 0 0 101 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 -0.493 84.0 132.1 -86.5 68.2 -15.6 3.5 9.8 11 11 A S + 0 0 96 -2,-1.7 -1,-0.2 -3,-0.2 2,-0.1 0.958 60.3 33.9 -80.6 -79.1 -18.9 2.1 11.1 12 12 A G S S- 0 0 50 -3,-0.2 2,-1.5 1,-0.1 -1,-0.1 -0.377 96.9 -94.0 -78.9 158.9 -21.5 2.5 8.5 13 13 A L - 0 0 174 -2,-0.1 -1,-0.1 2,-0.1 -3,-0.0 -0.564 47.8-168.7 -74.8 91.1 -20.9 2.3 4.7 14 14 A V - 0 0 95 -2,-1.5 3,-0.1 1,-0.1 -1,-0.0 -0.723 18.2-156.2 -86.7 123.8 -20.4 6.0 3.9 15 15 A P + 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.143 64.9 111.9 -83.7 21.4 -20.4 6.8 0.2 16 16 A R + 0 0 219 1,-0.0 2,-1.1 0, 0.0 -2,-0.1 0.039 38.2 154.7 -83.3 28.2 -18.3 10.0 0.9 17 17 A G - 0 0 61 -3,-0.1 4,-0.1 1,-0.1 -1,-0.0 -0.423 21.7-176.1 -61.9 97.5 -15.3 8.4 -0.9 18 18 A S - 0 0 106 -2,-1.1 4,-0.1 2,-0.3 -1,-0.1 0.345 49.9 -53.8 -73.8-150.3 -13.4 11.5 -1.9 19 19 A H S S+ 0 0 188 2,-0.1 2,-0.4 1,-0.1 -2,-0.1 0.974 125.7 58.6 -55.0 -62.1 -10.2 11.6 -4.0 20 20 A M S S- 0 0 108 1,-0.1 -2,-0.3 2,-0.0 2,-0.2 -0.593 88.8-131.5 -75.7 124.0 -8.3 9.2 -1.9 21 21 A A - 0 0 41 -2,-0.4 2,-1.9 -4,-0.1 -2,-0.1 -0.520 13.5-123.7 -77.1 140.6 -10.0 5.8 -1.5 22 22 A K + 0 0 191 -2,-0.2 -1,-0.1 -4,-0.1 -5,-0.0 -0.519 45.2 174.5 -84.3 72.3 -10.4 4.3 2.0 23 23 A Y - 0 0 130 -2,-1.9 2,-1.8 1,-0.1 -3,-0.0 -0.247 46.1 -98.0 -74.7 166.3 -8.6 1.0 1.3 24 24 A Q + 0 0 174 -2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.447 60.7 166.1 -85.3 64.9 -7.8 -1.6 4.0 25 25 A V - 0 0 45 -2,-1.8 31,-0.2 1,-0.1 3,-0.1 -0.549 22.7-171.2 -82.6 146.6 -4.2 -0.4 4.5 26 26 A T + 0 0 81 29,-2.2 2,-0.2 1,-0.3 30,-0.2 0.869 64.2 7.1 -99.6 -65.2 -2.3 -1.6 7.5 27 27 A K E -a 56 0A 132 28,-1.9 30,-0.7 2,-0.0 2,-0.4 -0.706 62.3-140.0-118.1 169.8 1.0 0.3 7.7 28 28 A T E -a 57 0A 56 28,-0.3 2,-0.7 -2,-0.2 30,-0.2 -0.996 4.3-152.4-135.5 130.8 2.6 3.2 5.8 29 29 A L E +a 58 0A 12 28,-2.2 30,-2.3 -2,-0.4 2,-0.5 -0.896 18.9 176.0-106.4 113.1 6.2 3.7 4.6 30 30 A D E +a 59 0A 85 -2,-0.7 30,-0.2 28,-0.2 -2,-0.0 -0.968 14.4 167.2-120.7 123.3 7.3 7.3 4.3 31 31 A V + 0 0 13 28,-1.4 3,-0.4 -2,-0.5 30,-0.2 -0.291 34.9 124.2-127.4 47.6 10.9 8.2 3.4 32 32 A R S S+ 0 0 181 1,-0.2 2,-1.8 28,-0.1 29,-0.1 0.901 78.4 16.5 -70.0-100.0 10.5 11.9 2.6 33 33 A G S S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.559 87.2 177.2 -79.5 82.1 12.9 14.1 4.7 34 34 A E + 0 0 91 -2,-1.8 -3,-0.1 -3,-0.4 0, 0.0 -0.385 15.9 167.1 -84.0 163.9 15.2 11.3 5.9 35 35 A V + 0 0 128 1,-0.6 -1,-0.1 -2,-0.1 0, 0.0 0.291 56.0 38.5-135.1 -90.9 18.3 11.8 8.1 36 36 A C S S- 0 0 66 1,-0.1 -1,-0.6 3,-0.0 4,-0.3 -0.178 87.8-104.4 -65.7 163.3 20.1 8.9 9.7 37 37 A P S > S+ 0 0 99 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.259 97.8 101.0 -75.7 15.8 20.5 5.5 7.8 38 38 A V H > S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.959 75.3 51.8 -65.7 -53.0 17.7 4.1 10.1 39 39 A P H > S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.805 105.3 60.1 -54.4 -30.0 14.9 4.4 7.5 40 40 A D H > S+ 0 0 88 -4,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.950 105.7 44.0 -63.5 -50.0 17.1 2.6 5.0 41 41 A V H X S+ 0 0 89 -4,-1.4 4,-1.2 -3,-0.4 -1,-0.2 0.725 108.4 64.3 -67.2 -21.0 17.3 -0.5 7.3 42 42 A E H >X S+ 0 0 101 -4,-1.4 4,-1.1 2,-0.2 3,-0.9 0.981 101.8 43.8 -66.3 -59.1 13.6 -0.1 7.8 43 43 A T H 3X S+ 0 0 14 -4,-1.9 4,-1.4 1,-0.3 3,-0.4 0.843 106.7 64.8 -56.0 -33.3 12.4 -0.8 4.3 44 44 A K H 3X S+ 0 0 137 -4,-1.3 4,-2.6 1,-0.3 -1,-0.3 0.900 99.3 51.6 -56.8 -41.9 14.9 -3.6 4.2 45 45 A R H < S+ 0 0 12 -4,-1.4 3,-0.6 1,-0.2 -2,-0.2 0.846 122.2 53.5 -77.2 -37.3 11.1 -7.2 1.9 48 48 A Q H 3< S+ 0 0 150 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.807 124.1 26.4 -68.1 -31.2 13.3 -9.3 4.2 49 49 A N T 3< S+ 0 0 90 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.3 -0.585 80.5 171.9-135.0 72.2 10.4 -10.1 6.5 50 50 A M < - 0 0 43 -3,-0.6 -3,-0.1 -2,-0.2 -4,-0.1 -0.618 25.2-133.6 -84.2 140.7 7.1 -9.8 4.5 51 51 A K > - 0 0 107 -2,-0.3 3,-1.1 -5,-0.1 -1,-0.0 -0.637 22.9-107.5 -94.2 151.5 3.8 -10.9 6.2 52 52 A P T 3 S+ 0 0 100 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.902 106.1 7.2 -38.2 -86.2 1.2 -13.1 4.5 53 53 A G T 3 S+ 0 0 48 2,-0.0 2,-0.2 -3,-0.0 45,-0.2 -0.445 92.3 149.5-103.9 59.1 -1.7 -10.7 3.8 54 54 A E < - 0 0 41 -3,-1.1 43,-0.7 -2,-0.5 2,-0.4 -0.558 31.6-155.8 -90.7 156.4 -0.2 -7.4 4.7 55 55 A I E + B 0 96A 34 41,-0.3 -29,-2.2 -2,-0.2 -28,-1.9 -0.975 17.7 173.8-135.0 117.8 -0.9 -4.0 3.1 56 56 A L E -aB 27 95A 27 39,-2.1 39,-2.1 -2,-0.4 2,-0.3 -0.817 20.5-135.2-122.8 164.0 1.5 -1.1 3.2 57 57 A E E -aB 28 94A 28 -30,-0.7 -28,-2.2 -2,-0.3 2,-0.4 -0.749 9.1-154.3-114.4 161.3 1.8 2.4 1.7 58 58 A V E +aB 29 93A 0 35,-1.9 35,-2.7 -2,-0.3 2,-0.5 -0.909 13.2 174.6-142.7 113.9 4.7 4.1 0.0 59 59 A W E +aB 30 92A 86 -30,-2.3 -28,-1.4 -2,-0.4 2,-0.2 -0.913 36.6 99.3-122.6 103.3 5.2 7.9 -0.1 60 60 A I E S- B 0 91A 6 31,-1.5 31,-2.4 -2,-0.5 -28,-0.1 -0.848 78.3 -93.2-158.1-166.2 8.5 9.1 -1.7 61 61 A D S S+ 0 0 92 29,-0.3 31,-0.1 -2,-0.2 -29,-0.0 0.420 104.2 50.3-103.0 -2.5 10.1 10.4 -4.9 62 62 A Y S S- 0 0 66 29,-0.1 2,-0.9 28,-0.0 3,-0.1 -0.983 91.3-103.6-137.6 148.1 11.1 7.0 -6.1 63 63 A P > - 0 0 63 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.587 26.8-173.3 -74.7 104.4 9.3 3.7 -6.7 64 64 A M T >> S+ 0 0 5 -2,-0.9 3,-1.6 1,-0.3 4,-1.2 0.719 75.3 84.0 -68.1 -19.9 10.4 1.4 -3.8 65 65 A S H 3> + 0 0 33 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.618 67.6 86.6 -58.9 -10.8 8.4 -1.4 -5.6 66 66 A K H <4 S+ 0 0 113 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.914 101.4 28.4 -56.7 -44.7 11.7 -1.8 -7.6 67 67 A E H <> S+ 0 0 91 -3,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.736 114.2 67.1 -86.6 -24.9 13.0 -4.2 -4.9 68 68 A R H X S+ 0 0 3 -4,-1.2 4,-2.5 1,-0.2 5,-0.4 0.890 93.5 59.2 -61.7 -41.3 9.5 -5.3 -4.0 69 69 A I H X S+ 0 0 77 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.952 102.7 50.0 -54.6 -56.7 9.0 -7.0 -7.3 70 70 A P H > S+ 0 0 64 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.848 116.2 45.0 -51.9 -37.0 12.0 -9.4 -7.0 71 71 A E H >X S+ 0 0 63 -4,-1.3 4,-1.2 2,-0.2 3,-1.0 0.990 115.6 40.8 -71.9 -64.5 10.8 -10.4 -3.5 72 72 A T H 3X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.3 6,-0.2 0.802 114.6 55.9 -55.9 -30.6 7.0 -10.9 -4.1 73 73 A V H 3< S+ 0 0 79 -4,-2.6 -1,-0.3 -5,-0.4 -2,-0.2 0.813 96.3 63.8 -73.5 -28.9 7.9 -12.6 -7.4 74 74 A K H << S+ 0 0 185 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.923 124.2 17.2 -58.6 -42.1 10.1 -15.1 -5.6 75 75 A K H < S- 0 0 110 -4,-1.2 -2,-0.2 2,-0.1 -3,-0.1 0.905 147.0 -21.4 -90.5 -77.5 6.9 -16.3 -3.8 76 76 A L S < S- 0 0 73 -4,-1.6 -3,-0.1 -5,-0.1 3,-0.1 0.689 88.7 -90.0 -98.8 -98.5 3.9 -15.0 -5.8 77 77 A G S S- 0 0 17 1,-0.2 2,-0.3 -3,-0.0 -3,-0.2 0.272 74.9 -21.7-145.3 -79.7 4.4 -12.0 -8.1 78 78 A H - 0 0 110 -6,-0.2 2,-0.6 -5,-0.1 -1,-0.2 -0.979 40.6-128.7-145.7 157.3 3.9 -8.5 -6.9 79 79 A E + 0 0 8 -2,-0.3 17,-1.2 -14,-0.1 2,-0.6 -0.447 54.5 150.0-101.2 55.9 2.1 -6.6 -4.2 80 80 A V E +C 95 0A 73 -2,-0.6 15,-0.2 15,-0.2 -2,-0.1 -0.820 6.8 134.1 -98.3 123.5 0.4 -4.2 -6.6 81 81 A L E S+ 0 0 44 13,-1.4 2,-0.3 -2,-0.6 -1,-0.2 0.554 70.6 10.0-133.3 -36.1 -3.0 -2.7 -5.6 82 82 A E E -C 94 0A 44 12,-1.2 12,-2.9 2,-0.0 -1,-0.4 -0.994 52.7-174.1-153.5 145.5 -2.8 1.0 -6.3 83 83 A I E +C 93 0A 119 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.998 19.3 143.5-142.4 136.1 -0.6 3.6 -8.1 84 84 A E E -C 92 0A 46 8,-2.4 8,-1.6 -2,-0.3 2,-0.3 -0.930 31.0-126.4-157.5 179.0 -0.8 7.4 -8.2 85 85 A E E -C 91 0A 155 -2,-0.3 6,-0.2 6,-0.3 4,-0.0 -0.868 12.5-177.8-133.7 166.1 1.2 10.6 -8.3 86 86 A V - 0 0 84 4,-1.7 5,-0.2 1,-0.3 -1,-0.1 0.597 64.7 -15.0-127.3 -64.4 1.2 13.9 -6.4 87 87 A G S S- 0 0 29 3,-2.0 -1,-0.3 1,-0.0 0, 0.0 -0.238 92.1 -52.9-124.8-147.1 3.8 16.4 -7.7 88 88 A P S S- 0 0 106 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.996 127.3 -5.1 -60.8 -77.4 6.8 16.6 -10.0 89 89 A S S S+ 0 0 67 -4,-0.0 2,-0.6 2,-0.0 -29,-0.0 0.424 115.8 97.2-100.2 -1.7 9.2 13.9 -8.7 90 90 A E + 0 0 93 -31,-0.0 -3,-2.0 2,-0.0 -4,-1.7 -0.803 51.0 165.6 -93.3 120.3 7.0 13.0 -5.7 91 91 A W E -BC 60 85A 104 -31,-2.4 -31,-1.5 -2,-0.6 2,-0.4 -0.856 28.5-134.8-130.5 166.1 4.7 10.0 -6.2 92 92 A K E -BC 59 84A 20 -8,-1.6 -8,-2.4 -2,-0.3 2,-0.3 -0.986 20.4-176.0-127.0 129.9 2.5 7.7 -4.1 93 93 A I E -BC 58 83A 17 -35,-2.7 -35,-1.9 -2,-0.4 2,-0.5 -0.926 14.6-146.6-125.8 149.5 2.4 3.9 -4.5 94 94 A Y E -BC 57 82A 12 -12,-2.9 -13,-1.4 -2,-0.3 -12,-1.2 -0.967 18.0-177.1-118.7 128.0 0.3 1.2 -2.8 95 95 A I E -BC 56 80A 9 -39,-2.1 -39,-2.1 -2,-0.5 2,-0.3 -0.872 6.6-174.3-124.5 149.8 1.7 -2.2 -2.0 96 96 A K E -B 55 0A 64 -17,-1.2 2,-0.5 -2,-0.3 -41,-0.3 -0.814 23.1-135.7-151.1 109.5 0.1 -5.3 -0.5 97 97 A V 0 0 9 -43,-0.7 -43,-0.5 -2,-0.3 -18,-0.1 -0.480 360.0 360.0 -64.4 111.2 1.8 -8.6 0.4 98 98 A K 0 0 156 -2,-0.5 -1,-0.2 -45,-0.2 -19,-0.1 0.981 360.0 360.0 -72.8 360.0 -0.6 -11.3 -0.9