==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 03-FEB-04 1UWD . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM0487; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.S.ALMEIDA,W.PETI,T.HERRMANN,K.WUTHRICH,JOINT CENTER FOR ST . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 58.8 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 . 6 5.9 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 . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.8 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 0 0 0 1 1 0 0 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 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 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 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 0 193 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.6 18.0 5.1 -13.6 2 3 A S - 0 0 104 2,-0.0 3,-0.0 0, 0.0 0, 0.0 0.039 360.0 -17.0-170.2 -50.9 20.0 1.8 -13.6 3 4 A K S S+ 0 0 167 2,-0.0 2,-0.3 70,-0.0 70,-0.1 -0.266 99.4 117.1-170.5 52.8 19.1 -0.1 -10.4 4 5 A K - 0 0 104 36,-0.1 70,-0.1 37,-0.0 35,-0.1 -0.808 48.3-155.5-141.9 86.7 17.4 2.5 -8.2 5 6 A V - 0 0 15 -2,-0.3 2,-0.3 33,-0.2 36,-0.1 -0.302 13.4-157.8 -66.0 153.4 13.7 1.9 -7.3 6 7 A T > - 0 0 44 1,-0.1 4,-2.3 30,-0.1 3,-0.4 -0.876 32.0-110.4-133.6 161.9 11.6 4.9 -6.4 7 8 A K H > S+ 0 0 97 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.823 117.0 63.3 -63.5 -28.5 8.3 5.6 -4.5 8 9 A E H > S+ 0 0 140 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 108.0 40.1 -59.3 -45.7 6.7 6.5 -7.9 9 10 A D H > S+ 0 0 91 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.901 111.9 56.8 -71.2 -45.9 7.3 2.9 -9.1 10 11 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.863 109.9 45.6 -57.8 -35.0 6.3 1.4 -5.7 11 12 A L H X S+ 0 0 47 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.954 113.5 48.0 -70.8 -49.3 2.9 3.2 -5.9 12 13 A N H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.798 112.8 49.2 -67.2 -27.4 2.4 2.1 -9.5 13 14 A A H >< S+ 0 0 20 -4,-2.7 3,-1.6 1,-0.2 4,-0.4 0.934 110.0 51.3 -70.6 -48.0 3.3 -1.5 -8.6 14 15 A L H >< S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.3 12,-0.5 0.800 91.9 76.0 -64.0 -26.9 0.9 -1.4 -5.6 15 16 A K T 3< S+ 0 0 104 -4,-2.0 -1,-0.3 1,-0.2 10,-0.2 0.518 89.5 61.7 -56.2 -10.6 -2.0 -0.1 -7.9 16 17 A N T < S+ 0 0 127 -3,-1.6 2,-0.2 48,-0.1 -1,-0.2 0.867 83.4 86.1 -84.3 -45.3 -2.2 -3.8 -9.1 17 18 A V < - 0 0 17 -3,-0.9 9,-0.6 -4,-0.4 2,-0.4 -0.458 59.7-174.4 -62.8 120.5 -3.1 -5.3 -5.7 18 19 A I B -A 25 0A 70 -2,-0.2 2,-0.3 7,-0.2 7,-0.2 -0.965 26.1-125.8-129.7 119.3 -6.8 -5.2 -5.1 19 20 A D >> - 0 0 25 5,-0.9 4,-2.6 -2,-0.4 3,-0.8 -0.376 15.8-140.3 -52.8 110.6 -8.4 -6.3 -1.9 20 21 A F T 34 S+ 0 0 204 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.624 101.3 52.6 -55.9 -22.0 -11.0 -8.9 -2.8 21 22 A E T 34 S+ 0 0 120 3,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.845 120.5 28.4 -76.0 -40.4 -13.3 -7.4 -0.1 22 23 A L T <4 S- 0 0 28 -3,-0.8 -2,-0.2 2,-0.2 3,-0.1 0.892 86.2-138.2 -97.7 -50.2 -13.1 -3.8 -1.3 23 24 A G S < S+ 0 0 53 -4,-2.6 2,-0.3 1,-0.4 -3,-0.1 0.678 71.3 91.6 92.5 19.5 -12.5 -3.8 -5.1 24 25 A L S S- 0 0 19 -5,-0.4 -5,-0.9 68,-0.0 -1,-0.4 -0.968 74.9-112.5-137.4 155.8 -10.0 -1.0 -5.1 25 26 A D B > -A 18 0A 16 -2,-0.3 4,-2.8 -7,-0.2 5,-0.2 -0.353 34.7-102.7 -84.3 165.8 -6.2 -0.9 -4.8 26 27 A V T 4>S+ 0 0 12 -9,-0.6 5,-1.5 -12,-0.5 6,-0.4 0.733 121.9 52.3 -65.7 -27.4 -4.2 0.5 -1.8 27 28 A V T >45S+ 0 0 42 2,-0.2 3,-0.5 3,-0.2 -1,-0.2 0.860 110.0 50.3 -77.1 -34.7 -3.3 3.8 -3.6 28 29 A S T 345S+ 0 0 46 1,-0.3 -2,-0.2 -3,-0.1 -1,-0.1 0.970 111.3 46.7 -62.4 -51.5 -7.0 4.2 -4.4 29 30 A L T 3<5S- 0 0 10 -4,-2.8 -1,-0.3 63,-0.1 63,-0.2 0.511 108.0-138.9 -65.4 -3.9 -7.8 3.6 -0.7 30 31 A G T < 5 + 0 0 22 -3,-0.5 -3,-0.2 -5,-0.2 -4,-0.1 0.552 55.7 141.2 62.3 11.6 -4.9 6.2 -0.2 31 32 A L < + 0 0 8 -5,-1.5 -4,-0.1 17,-0.1 -1,-0.1 0.897 34.0 96.8 -52.1 -60.1 -3.5 4.0 2.7 32 33 A V + 0 0 21 -6,-0.4 15,-0.3 1,-0.1 3,-0.1 -0.008 44.6 173.2 -42.4 115.6 0.2 4.4 2.0 33 34 A Y + 0 0 89 13,-2.8 14,-0.1 1,-0.3 2,-0.1 0.756 61.5 13.8 -87.7 -94.9 1.7 7.2 4.2 34 35 A D - 0 0 60 12,-0.3 12,-2.4 2,-0.0 -1,-0.3 -0.454 56.4-175.6 -80.9 156.1 5.5 7.2 3.7 35 36 A I E +B 45 0B 8 10,-0.2 2,-0.4 -2,-0.1 10,-0.2 -0.889 12.1 169.6-144.9 115.9 7.6 5.5 1.0 36 37 A Q E -B 44 0B 91 8,-2.6 8,-3.1 -2,-0.3 2,-0.4 -0.987 14.0-165.0-124.8 137.9 11.4 5.7 1.3 37 38 A I E -B 43 0B 38 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.994 13.2-144.2-121.9 127.6 13.8 3.7 -0.8 38 39 A D > - 0 0 76 4,-1.4 3,-2.0 -2,-0.4 -33,-0.2 -0.472 34.8-100.7 -77.7 165.7 17.5 3.6 0.3 39 40 A D T 3 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.2 -34,-0.1 0.714 128.0 61.1 -57.2 -20.6 20.4 3.5 -2.2 40 41 A Q T 3 S- 0 0 122 2,-0.1 -1,-0.3 -36,-0.1 36,-0.3 0.046 119.7-114.2 -91.0 16.8 20.3 -0.3 -1.5 41 42 A N < + 0 0 13 -3,-2.0 2,-1.3 1,-0.2 35,-1.3 0.789 57.8 161.7 41.6 38.7 16.7 -0.4 -2.8 42 43 A N E - c 0 76B 29 33,-0.2 -4,-1.4 -4,-0.1 2,-0.7 -0.802 31.7-151.0 -76.6 95.8 15.4 -1.3 0.6 43 44 A V E -Bc 37 77B 0 33,-2.4 35,-2.9 -2,-1.3 2,-0.4 -0.738 18.8-175.7 -74.0 113.7 11.9 -0.3 -0.3 44 45 A K E -Bc 36 78B 50 -8,-3.1 -8,-2.6 -2,-0.7 2,-0.4 -0.937 2.6-178.5-118.6 137.4 10.4 0.9 3.0 45 46 A V E -Bc 35 79B 2 33,-1.4 35,-1.5 -2,-0.4 2,-0.8 -0.995 31.0-147.2-136.1 139.5 6.8 1.9 3.3 46 47 A L E + c 0 80B 48 -12,-2.4 -13,-2.8 -2,-0.4 2,-0.4 -0.735 46.6 154.1 -99.0 72.1 4.5 3.2 6.1 47 48 A M E + c 0 81B 13 -2,-0.8 35,-0.6 33,-0.6 2,-0.3 -0.849 16.4 177.2 -97.6 145.7 1.4 1.4 4.7 48 49 A T - 0 0 2 -2,-0.4 2,-0.2 33,-0.2 35,-0.1 -0.831 26.8-111.0-136.1 167.9 -1.4 0.5 7.2 49 50 A M - 0 0 11 -2,-0.3 38,-0.2 1,-0.1 8,-0.0 -0.499 27.5-116.0 -89.3 172.8 -4.8 -1.1 6.9 50 51 A T S S+ 0 0 58 1,-0.2 37,-0.5 -2,-0.2 -1,-0.1 0.964 96.6 3.1 -62.7 -54.1 -8.1 0.7 7.5 51 52 A T S S- 0 0 40 35,-0.1 -1,-0.2 -3,-0.1 32,-0.0 -0.873 71.1-113.1-136.0 158.1 -8.8 -1.5 10.5 52 53 A P S S+ 0 0 109 0, 0.0 5,-0.1 0, 0.0 31,-0.0 0.086 107.5 63.9 -76.2 16.1 -7.2 -4.4 12.6 53 54 A M + 0 0 136 4,-0.1 4,-0.5 3,-0.0 -4,-0.0 0.750 57.9 152.1-100.6 -83.0 -10.0 -6.7 11.2 54 55 A C - 0 0 27 1,-0.1 3,-0.2 2,-0.1 4,-0.1 0.168 60.0-100.4 50.8 172.7 -10.0 -7.3 7.4 55 56 A P S S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.728 115.2 5.3 -92.3 -23.6 -11.5 -10.6 6.1 56 57 A L S > S+ 0 0 88 1,-0.0 4,-1.9 2,-0.0 3,-0.4 -0.507 81.5 173.5-156.4 60.8 -8.1 -12.4 5.6 57 58 A A H > S+ 0 0 37 -4,-0.5 4,-2.1 1,-0.2 5,-0.2 0.859 72.1 51.1 -48.4 -53.5 -5.8 -9.7 6.9 58 59 A G H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 109.5 50.7 -59.3 -41.9 -2.5 -11.7 6.7 59 60 A M H > S+ 0 0 123 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.903 109.5 51.1 -61.9 -44.6 -3.0 -12.6 3.1 60 61 A I H X S+ 0 0 19 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.865 108.9 51.2 -63.3 -39.3 -3.8 -8.9 2.2 61 62 A L H X S+ 0 0 54 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.957 112.6 46.2 -60.9 -47.6 -0.5 -7.9 3.9 62 63 A S H X S+ 0 0 54 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.787 108.3 57.0 -65.2 -29.1 1.4 -10.5 1.9 63 64 A D H X S+ 0 0 60 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.910 107.5 46.7 -72.5 -41.0 -0.4 -9.4 -1.4 64 65 A A H X S+ 0 0 5 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.969 113.5 49.0 -60.5 -50.3 0.8 -5.8 -1.0 65 66 A E H X S+ 0 0 64 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.822 105.9 59.7 -56.1 -34.1 4.3 -7.2 -0.3 66 67 A E H X S+ 0 0 87 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.961 107.5 43.6 -59.2 -51.7 3.9 -9.5 -3.4 67 68 A A H >< S+ 0 0 10 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.897 113.7 52.7 -62.6 -41.6 3.5 -6.4 -5.6 68 69 A I H >< S+ 0 0 5 -4,-2.2 3,-0.8 1,-0.2 6,-0.3 0.902 108.9 47.5 -61.8 -45.8 6.4 -4.7 -3.8 69 70 A K H 3< S+ 0 0 95 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.583 101.8 68.4 -75.5 -5.6 8.8 -7.7 -4.4 70 71 A K T << S+ 0 0 154 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.1 -0.064 70.7 96.0 -95.9 22.6 7.7 -7.8 -8.1 71 72 A I S < S- 0 0 21 -3,-0.8 -1,-0.2 3,-0.1 -2,-0.1 0.437 83.9-136.8 -96.0 -0.9 9.4 -4.4 -8.8 72 73 A E S S+ 0 0 194 -3,-0.5 -2,-0.1 1,-0.2 -3,-0.1 0.901 96.2 50.8 45.2 57.0 12.7 -6.1 -10.1 73 74 A G S S+ 0 0 27 -4,-0.1 2,-1.9 -32,-0.1 -1,-0.2 0.061 72.8 114.7 177.3 -40.6 15.0 -3.7 -8.2 74 75 A V + 0 0 15 -6,-0.3 -2,-0.1 1,-0.2 -32,-0.1 -0.286 38.0 175.2 -44.9 62.6 13.4 -4.1 -4.7 75 76 A N + 0 0 117 -2,-1.9 2,-0.3 -34,-0.1 -33,-0.2 0.911 66.9 12.2 -46.0 -54.7 16.4 -5.7 -3.1 76 77 A N E -c 42 0B 56 -35,-1.3 -33,-2.4 -36,-0.3 2,-0.4 -0.867 68.3-141.6-131.6 165.2 14.8 -5.7 0.4 77 78 A V E -c 43 0B 40 -2,-0.3 2,-0.8 -35,-0.2 -33,-0.2 -0.968 11.6-176.0-140.5 103.3 11.3 -5.0 1.7 78 79 A E E +c 44 0B 72 -35,-2.9 -33,-1.4 -2,-0.4 2,-1.2 -0.621 14.9 174.4-109.0 64.0 10.8 -3.0 4.9 79 80 A V E -c 45 0B 58 -2,-0.8 2,-0.1 -35,-0.2 -33,-0.1 -0.661 8.7-171.4 -79.9 98.8 7.0 -3.2 5.2 80 81 A E E -c 46 0B 84 -35,-1.5 -33,-0.6 -2,-1.2 2,-0.4 -0.488 16.0-145.1 -78.3 160.7 6.1 -1.7 8.6 81 82 A L E -c 47 0B 68 -2,-0.1 2,-1.1 -35,-0.1 -33,-0.2 -0.819 15.2-173.1-133.4 85.7 2.5 -1.9 9.8 82 83 A T + 0 0 38 -35,-0.6 -33,-0.0 -2,-0.4 -2,-0.0 -0.735 16.0 162.4 -85.0 93.0 1.8 1.3 11.7 83 84 A F + 0 0 80 -2,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.527 51.2 87.9 -94.6 -10.0 -1.7 0.5 13.2 84 85 A D S S+ 0 0 164 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.899 75.4 68.3 -55.3 -55.4 -1.6 3.3 15.8 85 86 A P S S- 0 0 46 0, 0.0 2,-0.8 0, 0.0 0, 0.0 -0.320 91.4-104.8 -80.7 158.1 -3.0 6.2 13.8 86 87 A P - 0 0 119 0, 0.0 -35,-0.1 0, 0.0 -2,-0.1 -0.703 34.3-148.5 -79.7 109.1 -6.6 6.6 12.5 87 88 A W - 0 0 19 -2,-0.8 -37,-0.1 -37,-0.5 -36,-0.1 0.867 30.5-110.8 -43.6 -89.1 -6.2 5.8 8.7 88 89 A T > - 0 0 45 -38,-0.1 3,-2.0 0, 0.0 4,-0.2 0.147 15.7-150.3 158.0 110.3 -8.9 8.1 7.1 89 90 A P G > S+ 0 0 71 0, 0.0 3,-0.8 0, 0.0 -2,-0.0 0.709 95.8 63.7 -62.0 -19.6 -12.1 6.7 5.4 90 91 A E G 3 S+ 0 0 96 1,-0.2 7,-0.1 -60,-0.0 6,-0.1 0.393 74.7 90.5 -86.4 0.9 -12.3 9.6 2.9 91 92 A R G < S+ 0 0 116 -3,-2.0 -1,-0.2 -62,-0.2 -61,-0.1 0.775 75.5 83.0 -60.3 -30.6 -8.9 8.7 1.3 92 93 A M S < S- 0 0 15 -3,-0.8 -63,-0.1 -63,-0.2 5,-0.1 -0.109 105.9 -66.1 -63.5 169.6 -11.0 6.6 -1.2 93 94 A S >> - 0 0 58 1,-0.1 3,-1.5 3,-0.1 4,-0.7 -0.315 44.3-125.0 -54.7 143.9 -12.7 8.0 -4.3 94 95 A P H >> S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.872 111.4 65.9 -65.0 -29.6 -15.4 10.5 -3.3 95 96 A E H 3> S+ 0 0 146 1,-0.3 4,-1.8 2,-0.2 -2,-0.1 0.770 100.9 51.3 -55.0 -29.2 -17.8 8.3 -5.5 96 97 A L H <> S+ 0 0 29 -3,-1.5 4,-2.7 2,-0.2 5,-0.4 0.687 100.4 58.3 -93.6 -17.3 -17.2 5.6 -2.9 97 98 A R H S+ 0 0 87 -3,-0.9 5,-1.6 -4,-0.7 4,-1.6 0.890 112.3 44.1 -69.8 -39.6 -18.0 7.7 0.1 98 99 A E H <5S+ 0 0 164 -4,-1.8 -2,-0.2 3,-0.2 -3,-0.1 0.926 118.3 45.4 -61.7 -50.1 -21.4 8.1 -1.6 99 100 A K H <5S+ 0 0 145 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.975 122.0 31.7 -61.2 -63.7 -21.5 4.4 -2.4 100 101 A F H <5S- 0 0 103 -4,-2.7 -3,-0.2 2,-0.0 -1,-0.2 0.879 112.4-111.4 -66.6 -38.5 -20.5 2.9 0.9 101 102 A G T <5 0 0 62 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.718 360.0 360.0 94.7 84.1 -22.0 5.6 3.1 102 103 A V < 0 0 100 -5,-1.6 -1,-0.2 -12,-0.0 -2,-0.0 -0.999 360.0 360.0-112.3 360.0 -19.4 7.6 4.8