==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-FEB-11 3QOO . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMANAEROVIBRIO ACIDAMINOVORANS; . AUTHOR K.MICHALSKA,H.LI,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 73.3 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 . 46 34.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 0 0 0 1 0 0 0 0 1 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 . 1 0 0 0 0 0 1 0 1 1 1 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 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 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 0 116 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.6 13.9 14.5 -0.3 2 2 A D >> - 0 0 85 1,-0.1 4,-2.2 2,-0.0 3,-0.9 -0.896 360.0-173.8-114.6 96.0 11.2 11.8 -0.6 3 3 A F H 3> S+ 0 0 26 -2,-0.6 4,-2.1 1,-0.3 -1,-0.1 0.791 83.2 62.4 -67.8 -24.2 12.1 9.3 2.2 4 4 A N H 34 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.879 111.2 41.0 -64.5 -36.9 9.4 6.9 1.0 5 5 A E H <4 S+ 0 0 138 -3,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.871 116.0 46.4 -72.7 -46.7 11.4 6.7 -2.3 6 6 A L H < S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.833 122.8 35.8 -67.8 -28.2 15.0 6.6 -0.8 7 7 A F S < S- 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.640 76.4-166.5-131.3 72.9 14.0 3.9 1.8 8 8 A P > - 0 0 63 0, 0.0 3,-2.1 0, 0.0 80,-0.2 -0.296 37.1 -98.6 -61.7 140.9 11.5 1.4 0.6 9 9 A V T 3 S+ 0 0 103 1,-0.2 80,-0.2 -5,-0.2 3,-0.1 -0.332 112.1 31.8 -53.5 133.2 9.9 -0.7 3.3 10 10 A G T 3 S+ 0 0 40 78,-2.8 -1,-0.2 1,-0.3 2,-0.1 0.195 79.4 141.6 97.5 -12.9 11.7 -4.0 3.4 11 11 A T < + 0 0 53 -3,-2.1 77,-3.0 77,-0.1 -1,-0.3 -0.417 31.2 174.9 -57.4 130.3 15.1 -2.6 2.4 12 12 A Y E -A 87 0A 135 75,-0.2 2,-0.3 -2,-0.1 75,-0.2 -0.953 28.6-164.2-143.1 159.0 17.7 -4.5 4.4 13 13 A R E -A 86 0A 109 73,-2.0 73,-2.5 -2,-0.3 2,-0.3 -0.961 13.2-157.4-134.7 158.2 21.4 -5.1 5.1 14 14 A R E +A 85 0A 147 -2,-0.3 2,-0.3 71,-0.2 71,-0.2 -0.953 10.7 175.5-130.1 152.8 23.2 -7.8 7.0 15 15 A X E -A 84 0A 44 69,-1.9 69,-3.1 -2,-0.3 2,-0.5 -0.980 25.3-128.8-150.2 161.2 26.5 -8.3 8.7 16 16 A V E -A 83 0A 87 -2,-0.3 2,-0.5 67,-0.2 67,-0.2 -0.902 22.7-167.3-109.6 128.6 28.2 -11.0 10.7 17 17 A K E -A 82 0A 48 65,-2.8 65,-3.0 -2,-0.5 2,-0.4 -0.981 13.1-143.1-120.6 124.5 29.7 -10.0 14.0 18 18 A K E -A 81 0A 117 -2,-0.5 2,-0.6 63,-0.2 63,-0.2 -0.698 27.5-118.7 -84.7 132.7 32.0 -12.3 16.0 19 19 A V + 0 0 4 61,-2.8 60,-2.7 -2,-0.4 2,-0.2 -0.607 44.4 170.9 -77.0 121.1 31.5 -12.0 19.8 20 20 A S > - 0 0 48 -2,-0.6 3,-1.9 58,-0.2 4,-0.4 -0.703 50.4 -92.0-124.3 173.0 34.7 -10.7 21.4 21 21 A V G >> S+ 0 0 101 1,-0.3 4,-2.0 -2,-0.2 3,-1.7 0.867 123.3 58.9 -58.8 -33.7 35.6 -9.5 24.9 22 22 A S G 34 S+ 0 0 73 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.710 103.6 53.8 -69.6 -15.5 34.8 -5.8 23.9 23 23 A D G <4 S+ 0 0 4 -3,-1.9 14,-2.8 2,-0.1 17,-0.3 0.458 115.1 38.1 -92.7 -4.3 31.3 -7.0 23.2 24 24 A T T X4 S+ 0 0 2 -3,-1.7 3,-2.0 -4,-0.4 5,-0.3 0.626 99.0 70.2-117.1 -28.9 30.8 -8.6 26.6 25 25 A V G >< S+ 0 0 79 -4,-2.0 3,-2.0 1,-0.3 4,-0.2 0.796 87.1 71.6 -66.0 -25.9 32.5 -6.2 29.0 26 26 A T G 3 S+ 0 0 58 -4,-0.3 -1,-0.3 1,-0.3 13,-0.3 0.427 74.3 81.6 -73.4 -0.8 29.7 -3.7 28.3 27 27 A N G < S- 0 0 36 -3,-2.0 -1,-0.3 8,-0.1 -2,-0.2 0.601 92.7-144.5 -63.4 -20.3 27.5 -6.0 30.3 28 28 A R < + 0 0 220 -3,-2.0 2,-0.3 -4,-0.1 -2,-0.1 0.862 68.5 97.6 52.7 42.2 29.1 -4.1 33.2 29 29 A S > - 0 0 53 -5,-0.3 3,-1.8 -4,-0.2 -2,-0.1 -0.864 67.4-149.0-161.2 113.0 29.0 -7.3 35.3 30 30 A K G > S+ 0 0 157 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.896 99.4 62.1 -53.9 -40.4 31.9 -9.7 35.7 31 31 A A G 3 S+ 0 0 90 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.684 101.9 52.7 -59.2 -20.7 29.4 -12.6 36.0 32 32 A L G X S+ 0 0 61 -3,-1.8 3,-1.2 1,-0.2 -1,-0.3 0.123 70.2 115.7-106.0 24.1 28.2 -11.9 32.4 33 33 A E T < + 0 0 95 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.574 62.5 71.0 -69.5 -12.6 31.5 -12.0 30.7 34 34 A E T 3 S+ 0 0 136 -3,-0.3 44,-2.4 -4,-0.1 2,-0.3 0.617 98.3 40.9 -82.4 -14.8 30.6 -15.1 28.6 35 35 A F B < S-E 77 0B 65 -3,-1.2 42,-0.2 42,-0.3 -8,-0.1 -0.925 90.1 -80.1-143.0 162.6 28.1 -13.5 26.2 36 36 A X - 0 0 4 40,-2.5 40,-0.3 -2,-0.3 -12,-0.2 -0.280 46.1-128.9 -64.9 137.3 27.3 -10.4 24.2 37 37 A S > - 0 0 0 -14,-2.8 4,-2.0 1,-0.1 5,-0.2 -0.345 18.6-114.2 -82.2 161.6 25.8 -7.4 26.0 38 38 A T H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 118.0 57.3 -60.3 -39.3 22.7 -5.4 25.1 39 39 A A H > S+ 0 0 51 -13,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.885 105.2 51.4 -60.3 -38.6 24.9 -2.4 24.3 40 40 A A H > S+ 0 0 0 -17,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.899 108.5 50.0 -66.1 -44.4 26.8 -4.5 21.8 41 41 A F H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 113.6 47.7 -56.5 -42.7 23.6 -5.6 20.1 42 42 A L H X S+ 0 0 58 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.933 108.9 51.8 -65.4 -47.3 22.6 -1.9 20.0 43 43 A E H X S+ 0 0 126 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.895 111.9 47.5 -56.2 -41.5 25.9 -0.7 18.6 44 44 A T H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.907 110.2 51.3 -71.6 -39.4 25.7 -3.3 15.8 45 45 A X H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.931 110.5 50.2 -57.4 -45.2 22.1 -2.4 15.0 46 46 A T H X S+ 0 0 41 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.919 107.8 53.4 -60.0 -47.7 23.2 1.3 14.8 47 47 A Q H X S+ 0 0 80 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.929 112.7 43.0 -55.8 -47.7 26.1 0.4 12.4 48 48 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.888 111.2 54.0 -67.7 -39.3 23.8 -1.4 10.0 49 49 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.916 110.4 47.3 -61.6 -42.5 21.1 1.2 10.2 50 50 A V H X>S+ 0 0 48 -4,-2.6 4,-2.0 1,-0.2 5,-0.5 0.908 109.7 54.0 -64.8 -41.5 23.6 3.9 9.3 51 51 A E H <5S+ 0 0 69 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.800 112.2 45.2 -61.2 -29.3 24.9 1.7 6.4 52 52 A I H <5S+ 0 0 5 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.904 124.9 26.5 -78.2 -44.4 21.4 1.4 5.0 53 53 A L H ><5S+ 0 0 1 -4,-2.3 3,-1.6 -5,-0.2 4,-0.3 0.912 105.8 61.1 -90.5 -46.7 20.4 5.0 5.3 54 54 A D G ><5S+ 0 0 35 -4,-2.0 3,-1.9 1,-0.3 -3,-0.1 0.854 99.5 53.8 -70.0 -35.1 23.2 7.5 5.1 55 55 A H G 3 - 0 0 59 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.223 52.0 -66.7 -72.5 164.2 22.1 13.8 -0.3 59 59 A E T 3 S+ 0 0 195 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.161 122.7 28.2 -50.7 130.3 25.2 15.8 0.5 60 60 A G T 3 S+ 0 0 33 1,-0.3 61,-2.4 -3,-0.1 62,-0.5 0.400 102.2 96.2 97.6 -2.3 24.8 17.7 3.8 61 61 A F E < +B 120 0A 70 -3,-1.7 -1,-0.3 59,-0.2 2,-0.3 -0.947 40.4 164.2-124.3 145.1 22.4 15.3 5.4 62 62 A V E -B 119 0A 46 57,-2.3 57,-3.0 -2,-0.4 2,-0.3 -0.895 33.6-107.7-141.8 172.1 23.0 12.3 7.8 63 63 A S E -B 118 0A 8 -2,-0.3 2,-0.4 55,-0.2 55,-0.2 -0.794 24.9-162.9-106.0 152.7 20.8 10.2 10.1 64 64 A V E -B 117 0A 49 53,-2.2 53,-2.6 -2,-0.3 2,-0.3 -0.996 26.4-109.9-133.4 139.7 20.7 10.4 13.9 65 65 A G E +B 116 0A 40 -2,-0.4 51,-0.3 51,-0.2 3,-0.1 -0.533 34.7 170.9 -72.5 130.1 19.3 7.8 16.4 66 66 A V E + 0 0 70 49,-3.1 2,-0.3 1,-0.4 50,-0.2 0.811 66.4 1.9-100.4 -50.1 16.2 8.9 18.2 67 67 A R E -B 115 0A 90 48,-1.4 48,-2.9 2,-0.0 -1,-0.4 -0.998 59.0-174.1-148.3 137.4 15.0 5.7 19.9 68 68 A S E -B 114 0A 46 -2,-0.3 2,-0.3 46,-0.2 46,-0.2 -0.989 0.8-175.7-133.6 148.2 16.3 2.1 20.3 69 69 A E E -B 113 0A 93 44,-2.4 44,-2.3 -2,-0.3 2,-0.4 -0.996 3.1-172.2-140.0 137.9 14.9 -1.0 21.8 70 70 A V E -B 112 0A 23 -2,-0.3 2,-0.5 42,-0.2 42,-0.2 -0.999 9.0-161.2-130.8 135.5 16.5 -4.4 22.2 71 71 A H E -B 111 0A 96 40,-2.8 40,-2.1 -2,-0.4 2,-0.7 -0.981 16.0-144.1-112.7 123.9 15.0 -7.7 23.4 72 72 A N E +B 110 0A 93 -2,-0.5 38,-0.3 38,-0.2 -34,-0.0 -0.789 25.6 168.8 -91.4 113.8 17.5 -10.3 24.6 73 73 A L - 0 0 94 36,-2.0 37,-0.2 -2,-0.7 -1,-0.2 0.858 61.3 -10.8 -95.1 -41.0 16.3 -13.9 23.6 74 74 A A S S- 0 0 46 35,-1.7 -1,-0.3 33,-0.1 2,-0.2 -0.988 80.9 -80.1-163.0 156.2 19.3 -16.1 24.2 75 75 A P - 0 0 92 0, 0.0 2,-0.8 0, 0.0 35,-0.1 -0.455 25.7-157.6 -73.7 133.1 23.0 -15.9 25.0 76 76 A A - 0 0 1 -40,-0.3 -40,-2.5 -2,-0.2 3,-0.1 -0.897 28.3-147.5-102.3 99.8 25.5 -15.2 22.1 77 77 A V B > -E 35 0B 68 -2,-0.8 3,-2.6 -42,-0.2 -58,-0.3 -0.245 26.8 -79.8 -71.4 156.8 28.7 -16.6 23.7 78 78 A L T 3 S+ 0 0 74 -44,-2.4 -58,-0.2 1,-0.3 -1,-0.2 -0.272 121.8 26.9 -46.5 134.2 32.2 -15.4 23.1 79 79 A G T 3 S+ 0 0 49 -60,-2.7 -1,-0.3 1,-0.3 -59,-0.1 0.272 92.5 129.5 87.5 -9.6 33.5 -16.8 19.8 80 80 A D < - 0 0 19 -3,-2.6 -61,-2.8 -61,-0.1 2,-0.6 -0.422 56.8-133.8 -68.9 149.5 29.9 -17.0 18.4 81 81 A D E -A 18 0A 61 -63,-0.2 2,-0.5 -3,-0.1 -63,-0.2 -0.965 22.4-163.4-106.0 117.2 29.2 -15.5 15.0 82 82 A V E -A 17 0A 0 -65,-3.0 -65,-2.8 -2,-0.6 2,-0.6 -0.904 8.3-148.6-106.7 120.2 26.0 -13.5 15.1 83 83 A T E -AC 16 103A 33 20,-2.9 20,-2.3 -2,-0.5 2,-0.4 -0.817 14.2-160.1 -89.2 120.2 24.2 -12.5 11.9 84 84 A F E -AC 15 102A 0 -69,-3.1 -69,-1.9 -2,-0.6 2,-0.5 -0.869 6.7-170.0-100.1 133.0 22.4 -9.2 12.2 85 85 A T E -AC 14 101A 21 16,-2.7 16,-2.2 -2,-0.4 2,-0.4 -0.996 3.0-173.1-123.1 120.3 19.6 -8.3 9.8 86 86 A V E -AC 13 100A 0 -73,-2.5 -73,-2.0 -2,-0.5 2,-0.4 -0.980 8.2-176.1-117.6 131.7 18.3 -4.7 9.9 87 87 A T E -AC 12 99A 37 12,-2.3 12,-2.5 -2,-0.4 2,-0.4 -0.973 32.7-110.9-133.8 136.3 15.3 -3.8 7.8 88 88 A V E + C 0 98A 1 -77,-3.0 -78,-2.8 -2,-0.4 10,-0.3 -0.545 35.2 176.4 -66.1 119.3 13.3 -0.7 7.0 89 89 A D E - 0 0 77 8,-3.0 2,-0.3 -2,-0.4 9,-0.2 0.882 57.8 -23.4 -91.7 -49.2 10.0 -1.1 8.7 90 90 A R E - C 0 97A 90 7,-1.7 7,-2.8 -81,-0.1 2,-0.4 -0.984 49.6-132.9-159.9 160.2 8.3 2.2 8.0 91 91 A V E + C 0 96A 23 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.959 22.9 172.6-115.1 136.7 8.9 5.9 7.2 92 92 A E E > - C 0 95A 98 3,-2.9 3,-1.7 -2,-0.4 2,-0.2 -0.847 60.2 -46.1-149.3 125.1 7.2 8.8 8.9 93 93 A G T 3 S- 0 0 66 -2,-0.3 -90,-0.2 1,-0.3 -1,-0.0 -0.479 124.2 -21.3 55.6-124.9 8.0 12.4 8.4 94 94 A N T 3 S+ 0 0 69 -2,-0.2 24,-2.5 -3,-0.1 2,-0.3 0.084 122.5 95.3 -97.0 23.0 11.8 12.8 8.5 95 95 A R E < -CD 92 117A 85 -3,-1.7 -3,-2.9 22,-0.2 2,-0.4 -0.871 53.8-161.0-122.0 151.8 12.1 9.5 10.4 96 96 A V E -CD 91 116A 1 20,-2.4 20,-2.7 -2,-0.3 2,-0.5 -0.992 8.6-154.1-126.2 130.5 12.8 5.9 9.5 97 97 A V E -CD 90 115A 2 -7,-2.8 -8,-3.0 -2,-0.4 -7,-1.7 -0.938 16.3-170.8-106.1 128.1 12.0 3.0 11.8 98 98 A L E -CD 88 114A 1 16,-2.9 16,-2.5 -2,-0.5 2,-0.3 -0.931 11.4-144.4-117.2 142.4 14.1 -0.1 11.3 99 99 A S E -CD 87 113A 46 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.4 -0.682 14.6-155.9-100.6 160.9 13.7 -3.6 12.8 100 100 A X E -CD 86 112A 8 12,-2.3 12,-2.1 -2,-0.3 2,-0.4 -0.996 13.0-176.4-139.8 140.6 16.5 -5.9 13.8 101 101 A K E -CD 85 111A 107 -16,-2.2 -16,-2.7 -2,-0.4 2,-0.4 -0.995 6.5-166.5-135.2 136.2 17.0 -9.6 14.2 102 102 A A E +CD 84 110A 0 8,-2.8 7,-3.0 -2,-0.4 8,-1.6 -0.986 18.0 163.4-120.4 124.2 20.2 -11.3 15.4 103 103 A D E -CD 83 108A 53 -20,-2.3 -20,-2.9 -2,-0.4 -2,-0.0 -0.993 17.6-164.1-143.0 154.0 20.7 -15.0 15.1 104 104 A D E > - 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