==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-03 1OI0 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN AF2198; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR H.J.T.T.TRAN,M.D.ALLEN,J.LOWE,M.BYCROFT . 426 8 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 20.9 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 17.6 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 1 0 3 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 3 0 0 4 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 . 2 2 0 5 1 6 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 2 0 0 2 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 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 79 0, 0.0 4,-0.0 0, 0.0 106,-0.0 0.000 360.0 360.0 360.0-176.3 4.7 58.2 -45.1 2 2 A S + 0 0 133 2,-0.0 2,-0.2 3,-0.0 3,-0.1 -0.097 360.0 102.7-116.3 32.7 5.4 56.6 -41.7 3 3 A S S S- 0 0 41 1,-0.2 103,-0.1 32,-0.0 32,-0.0 -0.541 88.4 -72.7-102.6 174.5 2.9 53.7 -42.0 4 4 A M - 0 0 15 101,-0.4 103,-2.1 -2,-0.2 2,-0.3 -0.343 54.9-152.1 -65.3 153.3 3.9 50.2 -42.7 5 5 A K E -ab 36 107A 23 30,-1.4 32,-3.0 101,-0.2 2,-0.4 -0.874 11.3-159.1-127.7 160.1 4.9 49.6 -46.4 6 6 A I E -ab 37 108A 0 101,-2.2 103,-2.2 -2,-0.3 32,-0.2 -0.998 23.5-118.9-140.3 138.1 4.9 46.7 -48.8 7 7 A S > - 0 0 27 30,-2.4 4,-1.8 -2,-0.4 3,-0.4 -0.495 17.1-130.4 -76.5 146.4 6.9 46.2 -51.9 8 8 A R H > S+ 0 0 122 101,-2.0 4,-2.2 1,-0.2 5,-0.2 0.837 110.2 60.7 -63.2 -30.2 5.0 45.9 -55.2 9 9 A G H > S+ 0 0 46 100,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 104.0 46.9 -64.5 -38.5 7.2 42.8 -55.8 10 10 A L H > S+ 0 0 8 -3,-0.4 4,-2.9 27,-0.2 -1,-0.2 0.877 109.8 53.4 -71.6 -38.1 5.8 41.1 -52.7 11 11 A L H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.913 109.9 48.3 -62.0 -42.4 2.2 42.0 -53.6 12 12 A K H X S+ 0 0 127 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.930 112.1 49.2 -63.0 -44.7 2.7 40.4 -57.0 13 13 A T H X S+ 0 0 60 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.923 113.0 47.7 -59.7 -45.5 4.3 37.3 -55.4 14 14 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.943 112.5 47.1 -62.2 -50.0 1.4 37.1 -52.9 15 15 A L H X S+ 0 0 12 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.849 113.5 48.6 -62.8 -34.7 -1.3 37.5 -55.6 16 16 A E H X S+ 0 0 93 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.842 110.4 51.6 -73.9 -32.1 0.3 34.9 -57.8 17 17 A A H X S+ 0 0 21 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.869 110.1 49.7 -70.1 -36.7 0.7 32.5 -54.9 18 18 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.922 110.0 50.1 -67.0 -44.8 -3.0 33.0 -54.2 19 19 A K H < S+ 0 0 114 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.914 112.5 47.8 -59.5 -43.0 -3.9 32.3 -57.8 20 20 A S H < S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.826 113.5 48.3 -67.6 -31.8 -1.8 29.2 -57.7 21 21 A A H >< S+ 0 0 11 -4,-1.8 3,-2.4 -5,-0.1 -2,-0.2 0.790 89.6 158.8 -79.0 -29.6 -3.4 28.1 -54.5 22 22 A H T 3< + 0 0 78 -4,-2.3 3,-0.1 1,-0.4 -3,-0.0 -0.038 63.0 19.9 -41.4 136.3 -7.0 28.6 -55.6 23 23 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.961 118.6 72.2 -87.3 9.0 -9.4 27.3 -54.4 24 24 A D S < S- 0 0 81 -3,-2.4 2,-0.8 -4,-0.1 22,-0.1 -0.364 91.7-103.4 -76.6 164.2 -7.4 26.6 -51.3 25 25 A E - 0 0 83 20,-0.2 2,-0.1 -3,-0.1 35,-0.1 -0.818 30.7-148.3 -95.1 110.4 -6.4 29.4 -48.9 26 26 A F - 0 0 3 -2,-0.8 33,-2.0 -8,-0.1 2,-0.3 -0.455 22.4-179.4 -69.5 146.1 -2.8 30.4 -49.3 27 27 A I E +C 58 0B 3 16,-0.3 16,-1.0 31,-0.2 2,-0.3 -0.984 10.9 150.7-151.6 144.2 -1.3 31.6 -46.1 28 28 A A E -CD 57 42B 0 29,-2.1 29,-2.3 -2,-0.3 2,-0.4 -0.962 43.5 -97.9-160.7 169.1 2.2 32.9 -45.1 29 29 A L E -CD 56 41B 2 12,-2.5 12,-2.5 -2,-0.3 2,-0.4 -0.835 34.7-127.4 -99.5 136.5 3.9 35.2 -42.6 30 30 A L E +CD 55 40B 0 25,-1.9 24,-2.0 -2,-0.4 25,-1.1 -0.683 41.8 165.1 -82.3 130.9 4.8 38.7 -43.8 31 31 A S E +CD 53 39B 8 8,-2.7 8,-2.1 -2,-0.4 7,-1.9 -0.857 11.8 111.4-141.2 176.7 8.4 39.6 -43.1 32 32 A G E -C 52 0B 0 20,-1.1 20,-1.5 -2,-0.3 2,-0.2 -0.890 52.4 -78.9 146.5-174.8 11.3 41.9 -43.9 33 33 A S S > S+ 0 0 34 3,-0.3 3,-2.0 -2,-0.3 18,-0.1 -0.614 85.3 4.6-115.1 176.6 13.4 44.6 -42.3 34 34 A K T 3 S- 0 0 175 1,-0.2 -2,-0.0 16,-0.2 16,-0.0 -0.287 123.8 -39.3 53.6-119.1 13.0 48.2 -41.4 35 35 A D T 3 S+ 0 0 43 -2,-0.1 -30,-1.4 -31,-0.1 2,-0.4 -0.042 111.6 96.8-130.0 31.0 9.5 49.2 -42.2 36 36 A V E < -a 5 0A 25 -3,-2.0 2,-0.7 -32,-0.2 -3,-0.3 -0.980 62.5-142.1-129.7 126.7 8.9 47.4 -45.5 37 37 A M E +a 6 0A 0 -32,-3.0 -30,-2.4 -2,-0.4 -27,-0.2 -0.751 47.7 136.6 -81.4 116.0 7.2 44.0 -46.0 38 38 A D + 0 0 64 -7,-1.9 2,-0.3 -2,-0.7 -6,-0.2 0.277 51.7 60.2-145.7 10.1 9.2 42.4 -48.8 39 39 A E E -D 31 0B 102 -8,-2.1 -8,-2.7 -3,-0.1 2,-0.4 -0.948 61.6-145.0-139.3 158.3 9.7 38.8 -47.7 40 40 A L E -D 30 0B 23 -2,-0.3 2,-0.8 -10,-0.2 -10,-0.2 -0.983 8.4-151.1-130.4 139.1 7.5 35.8 -47.0 41 41 A I E -D 29 0B 24 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.1 -0.920 34.4-138.3-103.4 103.0 7.8 33.0 -44.5 42 42 A F E -D 28 0B 127 -2,-0.8 -14,-0.2 -14,-0.2 -12,-0.0 -0.364 16.2-156.7 -68.5 143.6 5.9 30.2 -46.3 43 43 A L - 0 0 10 -16,-1.0 2,-2.2 -2,-0.1 -16,-0.3 -0.931 27.0-108.6-122.2 145.4 3.5 28.0 -44.4 44 44 A P + 0 0 48 0, 0.0 142,-2.1 0, 0.0 -16,-0.1 -0.410 56.9 146.0 -72.0 72.1 2.3 24.4 -45.3 45 45 A F + 0 0 32 -2,-2.2 -20,-0.2 -18,-0.3 2,-0.1 0.722 44.3 94.9 -81.0 -22.8 -1.3 25.2 -46.2 46 46 A V 0 0 94 -3,-0.3 140,-0.2 1,-0.1 -25,-0.0 -0.468 360.0 360.0 -70.5 141.2 -1.5 22.5 -48.8 47 47 A S 0 0 137 -2,-0.1 -1,-0.1 138,-0.1 138,-0.0 0.944 360.0 360.0 -60.5 360.0 -3.0 19.2 -47.6 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 61 A I 0 0 207 0, 0.0 -16,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.5 19.9 40.4 -39.5 50 62 A G + 0 0 44 1,-0.3 -16,-0.2 -17,-0.1 -18,-0.1 0.187 360.0 150.0 102.1 -16.0 17.0 42.8 -38.9 51 63 A M + 0 0 106 -18,-0.1 -1,-0.3 -20,-0.1 2,-0.3 -0.173 18.7 174.8 -53.2 139.4 14.3 40.3 -40.0 52 64 A K E -C 32 0B 121 -20,-1.5 -20,-1.1 99,-0.0 2,-0.8 -0.980 34.3-120.0-147.2 155.5 10.9 40.6 -38.4 53 65 A V E -C 31 0B 21 -2,-0.3 27,-0.3 -22,-0.2 -22,-0.2 -0.869 24.3-179.4-101.3 106.8 7.4 39.1 -38.6 54 66 A F E - 0 0 7 -24,-2.0 27,-3.3 -2,-0.8 26,-1.1 0.737 54.2 -87.1 -77.1 -23.9 5.0 41.9 -39.4 55 67 A G E -Ce 30 81B 0 -25,-1.1 -25,-1.9 24,-0.3 2,-0.3 -0.985 56.1 -47.2 156.3-142.7 2.0 39.5 -39.5 56 68 A T E -Ce 29 82B 1 25,-1.2 27,-2.5 -2,-0.3 2,-0.4 -0.864 26.9-161.2-131.1 163.4 0.1 37.2 -41.8 57 69 A V E +Ce 28 83B 0 -29,-2.3 -29,-2.1 -2,-0.3 2,-0.3 -0.991 18.9 165.7-142.1 132.6 -1.3 37.2 -45.3 58 70 A H E -Ce 27 84B 1 25,-2.0 27,-2.0 -2,-0.4 2,-0.3 -0.978 25.1-124.4-145.7 159.0 -4.0 34.7 -46.5 59 71 A S E - e 0 85B 0 -33,-2.0 27,-0.2 -2,-0.3 35,-0.0 -0.734 5.9-146.4-108.8 157.1 -6.3 34.4 -49.5 60 72 A H E - e 0 86B 18 25,-2.0 27,-1.6 -2,-0.3 -36,-0.1 -0.982 6.5-153.2-118.7 126.6 -10.0 34.0 -49.9 61 73 A P S S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.610 81.8 72.9 -74.5 -11.7 -11.3 31.9 -52.9 62 74 A S S S- 0 0 58 2,-0.2 25,-1.2 -39,-0.1 2,-0.3 -0.595 103.5-101.4 -95.9 163.9 -14.5 33.9 -52.8 63 75 A P S S+ 0 0 108 0, 0.0 2,-0.5 0, 0.0 23,-0.1 0.113 89.0 105.3 -75.5 27.9 -14.6 37.6 -54.0 64 76 A S + 0 0 42 -2,-0.3 -2,-0.2 1,-0.1 23,-0.2 -0.930 40.9 179.0-114.5 125.1 -14.6 38.9 -50.4 65 77 A a + 0 0 8 -2,-0.5 19,-0.1 21,-0.1 -1,-0.1 0.181 52.6 113.2-102.9 15.1 -11.5 40.5 -48.9 66 78 A R S S- 0 0 193 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.595 70.3-114.1 -86.2 147.7 -13.3 41.2 -45.6 67 79 A P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.531 22.8-144.9 -83.8 150.3 -12.2 39.4 -42.4 68 80 A S > - 0 0 48 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.464 36.2 -96.2 -99.6 177.9 -14.5 36.9 -40.7 69 81 A E H > S+ 0 0 149 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.887 128.2 55.6 -62.3 -37.7 -14.6 36.3 -36.9 70 82 A E H > S+ 0 0 97 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.900 105.1 51.7 -60.9 -42.3 -12.2 33.5 -37.4 71 83 A D H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 3,-0.5 0.914 104.4 56.5 -62.2 -42.5 -9.8 35.9 -39.1 72 84 A L H X S+ 0 0 50 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.881 105.2 51.8 -57.3 -38.2 -10.0 38.3 -36.2 73 85 A S H X S+ 0 0 4 -4,-1.6 4,-0.7 1,-0.2 -1,-0.3 0.812 110.8 48.8 -68.9 -28.7 -8.9 35.5 -33.9 74 86 A L H >X S+ 0 0 2 -4,-1.3 3,-0.8 -3,-0.5 4,-0.7 0.921 108.3 53.7 -73.4 -45.2 -5.9 34.8 -36.2 75 87 A F H 3< S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.846 106.7 52.3 -58.1 -37.5 -5.0 38.5 -36.3 76 88 A T H 3< S+ 0 0 52 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.709 93.7 71.8 -74.8 -21.7 -4.8 38.8 -32.5 77 89 A R H << S- 0 0 13 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 0.863 115.9 -27.9 -64.6 -38.3 -2.5 35.8 -31.9 78 90 A F S < S+ 0 0 7 -4,-0.7 -1,-0.2 -3,-0.4 74,-0.2 -0.955 97.1 53.0-172.1 156.7 0.6 37.5 -33.3 79 91 A G - 0 0 5 72,-2.0 -24,-0.3 -2,-0.3 -1,-0.2 0.320 59.4-121.2 86.6 143.2 1.8 40.2 -35.7 80 92 A K S S+ 0 0 119 -26,-1.1 19,-0.6 -27,-0.3 2,-0.4 0.828 91.4 43.6 -87.0 -35.9 0.8 43.8 -36.2 81 93 A Y E -eF 55 98B 56 -27,-3.3 -25,-1.2 17,-0.2 2,-0.4 -0.900 58.3-173.6-120.2 143.8 -0.5 43.6 -39.8 82 94 A H E -eF 56 97B 0 15,-2.8 15,-2.3 -2,-0.4 2,-0.3 -0.955 7.4-160.6-139.8 118.4 -2.6 41.1 -41.7 83 95 A I E -eF 57 96B 0 -27,-2.5 -25,-2.0 -2,-0.4 2,-0.4 -0.742 1.7-165.7 -99.0 141.9 -3.4 41.1 -45.4 84 96 A I E -eF 58 95B 0 11,-2.7 11,-2.0 -2,-0.3 2,-0.3 -0.997 5.0-170.5-124.2 128.2 -6.3 39.4 -47.1 85 97 A V E -eF 59 94B 0 -27,-2.0 -25,-2.0 -2,-0.4 2,-0.3 -0.875 11.9-166.9-113.8 152.3 -6.3 38.9 -50.8 86 98 A a E > -e 60 0B 10 7,-1.9 3,-2.5 -2,-0.3 4,-0.3 -0.944 25.3 -43.5-141.8 160.7 -9.3 37.6 -52.6 87 99 A Y T 3 S+ 0 0 115 -27,-1.6 -25,-0.0 -25,-1.2 -22,-0.0 -0.279 118.3 30.6 -55.6 143.7 -10.6 36.2 -55.9 88 100 A P T 3 S- 0 0 66 0, 0.0 -1,-0.3 0, 0.0 5,-0.0 -0.930 90.2-146.3 -81.4 11.9 -10.0 37.2 -58.8 89 101 A Y < + 0 0 6 -3,-2.5 -2,-0.2 1,-0.1 -70,-0.1 0.851 35.9 164.0 64.6 36.9 -6.6 38.1 -57.2 90 102 A D > - 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0 0 103 1,-0.1 -4,-2.2 0, 0.0 -1,-0.3 -0.748 60.4-109.2 -91.9 136.8 -9.5 47.3 -38.4 103 115 A E E +G 97 0B 128 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.445 43.9 177.7 -67.3 131.4 -8.5 48.2 -42.0 104 116 A V E -G 96 0B 43 -8,-2.3 -8,-0.5 -2,-0.2 2,-0.1 -0.893 27.1-101.9-131.5 161.6 -5.2 50.1 -42.2 105 117 A E - 0 0 162 -2,-0.3 2,-0.4 -10,-0.1 -101,-0.4 -0.462 20.7-164.0 -85.6 156.6 -3.1 51.4 -45.0 106 118 A L - 0 0 15 -2,-0.1 2,-0.6 -103,-0.1 -101,-0.2 -0.981 19.9-136.4-135.7 119.7 0.0 50.0 -46.5 107 119 A E E -b 5 0A 77 -103,-2.1 -101,-2.2 -2,-0.4 2,-0.5 -0.703 19.5-136.9 -80.7 123.5 2.1 52.3 -48.7 108 120 A V E b 6 0A 44 -2,-0.6 -101,-0.2 -103,-0.2 -103,-0.0 -0.701 360.0 360.0 -82.9 124.2 3.2 50.4 -51.8 109 121 A V 0 0 82 -103,-2.2 -101,-2.0 -2,-0.5 -100,-0.2 -0.513 360.0 360.0-121.1 360.0 6.8 51.1 -52.6 110 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 111 4 B M 0 0 61 0, 0.0 103,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.1 5.3 11.0 -35.4 112 5 B K E -hi 143 214C 69 30,-1.0 32,-2.5 101,-0.2 2,-0.3 -0.865 360.0-172.7-122.7 156.0 7.8 11.8 -32.7 113 6 B I E -hi 144 215C 0 101,-2.4 103,-2.3 -2,-0.3 2,-0.3 -0.990 25.8-121.3-143.9 141.1 8.6 14.8 -30.5 114 7 B S E >> - 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