==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-MAR-08 3CNU . COMPND 2 MOLECULE: PREDICTED CODING REGION AF_1534; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; . AUTHOR R.ZHANG,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.M.EDWARDS, . 110 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 16.4 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 7 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 0 0 0 2 1 0 0 0 0 1 0 1 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 1 0 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 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 M 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.5 18.5 20.2 7.4 2 2 A S > - 0 0 27 1,-0.1 4,-2.4 34,-0.1 5,-0.2 -0.297 360.0-110.8 -58.5 156.6 14.8 21.0 6.7 3 3 A E H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 119.5 54.7 -58.7 -38.8 13.1 22.6 9.6 4 4 A A H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 109.1 46.5 -62.8 -45.3 11.0 19.4 10.0 5 5 A K H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 111.1 51.6 -63.8 -46.5 14.1 17.3 10.2 6 6 A E H X S+ 0 0 85 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.905 111.7 48.3 -53.6 -45.0 15.8 19.6 12.7 7 7 A L H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.862 108.8 51.9 -68.4 -38.9 12.6 19.5 14.9 8 8 A I H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.927 110.2 50.0 -62.1 -42.7 12.4 15.7 14.8 9 9 A K H X S+ 0 0 73 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 110.7 50.0 -61.2 -45.6 16.0 15.5 15.9 10 10 A K H X S+ 0 0 107 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.877 108.4 52.3 -57.7 -43.3 15.2 18.0 18.8 11 11 A M H X S+ 0 0 68 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.894 107.6 51.7 -61.8 -42.2 12.3 15.9 19.8 12 12 A C H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 39,-0.2 0.899 109.1 51.1 -59.7 -41.6 14.5 12.7 20.0 13 13 A D H X S+ 0 0 100 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.902 112.3 46.1 -62.5 -42.7 17.0 14.7 22.2 14 14 A L H >X S+ 0 0 104 -4,-2.1 4,-0.7 2,-0.2 3,-0.6 0.912 112.2 50.9 -65.0 -44.7 14.2 15.7 24.5 15 15 A Q H >< S+ 0 0 10 -4,-2.7 3,-1.0 1,-0.2 7,-0.3 0.926 109.4 50.8 -58.3 -46.8 12.8 12.2 24.6 16 16 A N H 3< S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.624 116.4 40.0 -71.5 -14.5 16.2 10.7 25.5 17 17 A S H << S+ 0 0 97 -4,-0.8 2,-0.6 -3,-0.6 -1,-0.2 0.401 102.5 78.6-112.4 3.1 16.8 13.0 28.4 18 18 A N S+ 0 0 108 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.804 89.6 55.8 -56.9 -36.1 12.2 10.1 31.9 20 20 A E H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 108.3 46.2 -66.8 -43.8 8.5 11.1 31.8 21 21 A I H > S+ 0 0 50 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.932 111.6 53.7 -63.1 -43.1 8.4 11.1 27.9 22 22 A Q H X S+ 0 0 42 -4,-2.3 4,-1.8 -7,-0.3 -2,-0.2 0.919 106.5 51.5 -58.2 -43.5 10.2 7.8 28.0 23 23 A K H < S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 111.9 46.9 -58.4 -43.9 7.5 6.4 30.3 24 24 A E H < S+ 0 0 139 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.764 116.8 43.7 -68.6 -29.4 4.8 7.5 27.9 25 25 A M H >< S+ 0 0 90 -4,-1.9 3,-0.9 -3,-0.2 24,-0.3 0.647 90.1 111.3 -89.7 -18.3 6.6 6.1 24.9 26 26 A A T 3< + 0 0 48 -4,-1.8 22,-0.2 22,-0.3 21,-0.1 -0.117 60.3 46.1 -61.0 152.0 7.6 2.8 26.6 27 27 A G T 3 S+ 0 0 69 20,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.312 93.7 84.7 101.5 -7.5 6.0 -0.4 25.3 28 28 A W < - 0 0 96 -3,-0.9 2,-0.4 18,-0.3 21,-0.3 -0.982 51.7-170.0-128.9 144.5 6.4 0.1 21.6 29 29 A S + 0 0 66 -2,-0.4 2,-0.3 18,-0.1 17,-0.2 -0.991 26.5 118.0-133.1 136.1 9.3 -0.7 19.3 30 30 A G E -A 45 0A 9 15,-2.3 15,-3.9 -2,-0.4 2,-0.5 -0.972 51.7-113.2-179.0 167.9 9.8 0.3 15.7 31 31 A V E -A 44 0A 20 -2,-0.3 31,-1.8 13,-0.2 32,-1.4 -0.996 24.2-160.0-118.0 124.6 11.8 2.3 13.1 32 32 A V E -Ab 43 63A 6 11,-2.7 11,-2.3 -2,-0.5 2,-0.4 -0.939 8.9-156.7-105.1 114.1 10.1 5.2 11.4 33 33 A Q E -Ab 42 64A 3 30,-2.6 32,-3.2 -2,-0.7 2,-0.4 -0.781 5.2-157.2 -87.3 133.1 11.7 6.2 8.1 34 34 A Y E +Ab 41 65A 22 7,-3.4 7,-1.6 -2,-0.4 2,-0.3 -0.902 14.8 179.3-109.0 141.5 11.2 9.7 6.8 35 35 A K E +Ab 40 66A 55 30,-2.3 32,-1.3 -2,-0.4 2,-0.7 -0.864 7.2 176.0-138.9 101.2 11.6 10.8 3.2 36 36 A L E > S-A 39 0A 2 3,-2.2 3,-2.0 -2,-0.3 -34,-0.1 -0.905 79.5 -32.7-113.6 100.7 10.9 14.5 2.9 37 37 A D T 3 S- 0 0 129 -2,-0.7 -1,-0.2 30,-0.3 3,-0.1 0.959 126.9 -46.8 46.2 52.5 11.5 15.6 -0.8 38 38 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.297 106.4 133.4 76.1 -12.5 14.2 12.9 -0.9 39 39 A E E < -A 36 0A 44 -3,-2.0 -3,-2.2 1,-0.0 2,-0.5 -0.629 44.8-156.6 -67.0 119.1 15.7 14.0 2.5 40 40 A E E +A 35 0A 56 -2,-0.5 16,-2.3 -5,-0.2 2,-0.3 -0.884 30.0 131.9-112.7 126.4 16.2 10.6 4.2 41 41 A F E -AC 34 55A 0 -7,-1.6 -7,-3.4 -2,-0.5 2,-0.3 -0.969 27.4-156.6-161.0 160.9 16.4 10.0 8.0 42 42 A Y E -AC 33 54A 32 12,-2.7 12,-3.3 -2,-0.3 2,-0.5 -0.946 12.4-140.0-144.7 161.6 14.9 7.7 10.5 43 43 A V E -AC 32 53A 0 -11,-2.3 -11,-2.7 -2,-0.3 2,-0.6 -0.997 14.0-149.7-124.5 121.5 14.1 7.3 14.2 44 44 A E E -AC 31 52A 43 8,-2.6 8,-2.0 -2,-0.5 2,-0.5 -0.847 14.7-156.7 -87.1 121.7 14.6 4.0 16.0 45 45 A Y E -AC 30 51A 45 -15,-3.9 -15,-2.3 -2,-0.6 2,-0.3 -0.926 7.4-158.2-104.3 124.1 12.0 3.7 18.8 46 46 A K > - 0 0 93 4,-2.6 3,-2.1 -2,-0.5 -18,-0.3 -0.708 26.7-116.8-103.6 152.1 13.0 1.3 21.6 47 47 A S T 3 S+ 0 0 65 1,-0.3 -20,-2.6 -2,-0.3 -19,-0.2 0.711 111.0 64.7 -59.6 -26.5 10.6 -0.4 24.1 48 48 A D T 3 S- 0 0 98 -22,-0.2 -1,-0.3 -21,-0.1 -22,-0.3 0.404 120.5-105.3 -78.7 2.1 12.2 1.3 27.0 49 49 A G S < S+ 0 0 0 -3,-2.1 2,-0.2 1,-0.4 -2,-0.1 0.505 85.1 116.2 89.1 1.3 10.9 4.6 25.6 50 50 A T - 0 0 28 -25,-0.1 -4,-2.6 -34,-0.1 -1,-0.4 -0.524 44.1-165.8 -92.3 172.2 14.3 5.9 24.4 51 51 A C E -C 45 0A 3 -39,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.922 17.0-136.1-150.2 168.6 15.1 6.5 20.7 52 52 A E E -C 44 0A 59 -8,-2.0 -8,-2.6 -2,-0.3 2,-0.5 -0.966 11.2-150.5-137.0 121.7 17.9 7.1 18.2 53 53 A F E -C 43 0A 31 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.788 25.6-179.4 -87.2 127.1 17.8 9.6 15.4 54 54 A K E -C 42 0A 70 -12,-3.3 -12,-2.7 -2,-0.5 2,-0.2 -0.968 25.3-123.3-131.5 147.5 19.8 8.5 12.3 55 55 A E E S+C 41 0A 97 -2,-0.3 -14,-0.3 -14,-0.2 2,-0.2 -0.596 72.6 12.2 -80.1 146.2 20.8 9.9 8.9 56 56 A G S S- 0 0 27 -16,-2.3 2,-0.5 -2,-0.2 -22,-0.3 -0.554 100.7 -32.3 93.5-155.5 20.0 8.0 5.8 57 57 A V - 0 0 96 -2,-0.2 2,-0.2 -17,-0.1 -2,-0.1 -0.939 46.8-140.6-116.8 123.5 17.8 5.0 5.1 58 58 A H - 0 0 42 -2,-0.5 -25,-0.0 1,-0.1 -2,-0.0 -0.613 23.3-123.7 -82.8 143.9 17.2 2.1 7.5 59 59 A S S S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.727 95.9 11.2 -65.4 -30.7 17.2 -1.3 5.8 60 60 A S S S- 0 0 96 3,-0.0 -1,-0.3 0, 0.0 -29,-0.1 -0.460 78.6-171.6-148.1 74.1 13.7 -2.5 6.9 61 61 A P - 0 0 37 0, 0.0 36,-0.2 0, 0.0 -29,-0.2 -0.234 33.1-126.1 -70.7 157.3 11.6 0.2 8.5 62 62 A T S S- 0 0 14 -31,-1.8 35,-0.6 1,-0.3 36,-0.5 0.937 92.4 -22.2 -58.8 -48.6 8.3 -0.4 10.3 63 63 A F E -b 32 0A 44 -32,-1.4 -30,-2.6 33,-0.1 2,-0.4 -0.981 62.2-128.3-156.4 163.9 7.0 2.2 7.9 64 64 A T E -bD 33 94A 16 30,-2.5 30,-2.4 -2,-0.3 2,-0.7 -0.961 12.2-148.1-118.4 133.1 8.1 5.1 5.8 65 65 A V E -bD 34 93A 5 -32,-3.2 -30,-2.3 -2,-0.4 2,-0.8 -0.902 12.1-169.6 -98.8 115.6 6.5 8.6 6.0 66 66 A V E +bD 35 92A 26 26,-2.9 26,-2.4 -2,-0.7 -30,-0.2 -0.897 28.2 148.9-110.8 102.5 6.7 10.2 2.5 67 67 A A - 0 0 2 -32,-1.3 -30,-0.3 -2,-0.8 24,-0.1 -0.980 54.4-105.8-140.5 141.8 5.7 13.8 3.1 68 68 A P > - 0 0 59 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.492 38.5-126.6 -62.7 134.9 6.4 17.3 1.7 69 69 A P H > S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.816 105.3 51.5 -59.6 -34.1 8.7 19.0 4.3 70 70 A D H > S+ 0 0 134 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.917 111.9 47.8 -73.8 -34.7 6.6 22.1 4.7 71 71 A F H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 111.3 50.3 -65.4 -46.2 3.5 20.1 5.4 72 72 A W H X S+ 0 0 17 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.886 108.0 53.1 -63.0 -35.5 5.4 17.9 7.9 73 73 A L H X S+ 0 0 20 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.934 108.0 50.8 -59.5 -48.3 6.7 20.9 9.7 74 74 A A H <>S+ 0 0 14 -4,-1.9 5,-2.7 1,-0.2 6,-1.4 0.873 111.2 49.4 -58.2 -39.8 3.1 22.2 10.0 75 75 A V H ><5S+ 0 0 14 -4,-2.2 3,-1.6 4,-0.3 -2,-0.2 0.945 109.0 50.7 -60.9 -52.2 2.2 18.8 11.4 76 76 A L H 3<5S+ 0 0 45 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.828 111.2 49.7 -57.1 -34.5 5.0 18.8 13.9 77 77 A K T 3<5S- 0 0 113 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.485 118.0-112.1 -83.9 -2.4 4.0 22.3 15.1 78 78 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.641 88.5 116.6 79.7 13.7 0.3 21.2 15.5 79 79 A Q S - 0 0 69 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.891 7.0-141.8-114.1 130.8 -3.0 16.7 12.1 82 82 A P H > S+ 0 0 53 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.813 100.9 48.1 -59.9 -29.6 -1.4 13.5 10.9 83 83 A V H > S+ 0 0 87 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.973 117.9 35.8 -78.9 -55.9 -4.7 11.6 11.0 84 84 A S H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 6,-0.2 0.893 117.9 55.7 -62.7 -37.9 -7.0 14.1 9.0 85 85 A G H X>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 4,-0.6 0.899 109.5 45.5 -59.3 -42.9 -3.9 14.9 6.9 86 86 A F H ><5S+ 0 0 96 -4,-1.5 3,-1.0 -5,-0.2 -2,-0.2 0.914 109.2 54.6 -66.1 -43.1 -3.5 11.3 6.0 87 87 A M H 3<5S+ 0 0 149 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.845 111.7 46.7 -57.5 -35.8 -7.3 10.9 5.3 88 88 A M H 3<5S- 0 0 113 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.585 115.4-115.5 -80.8 -13.9 -7.0 13.8 2.8 89 89 A G T <<5 + 0 0 58 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.776 68.3 142.0 79.6 30.2 -3.8 12.5 1.1 90 90 A K S > + 0 0 119 2,-0.1 4,-1.6 -2,-0.1 3,-0.6 0.159 58.7 111.1-130.6 15.3 2.2 -2.7 6.9 97 97 A I H 3> S+ 0 0 90 -35,-0.6 4,-2.9 1,-0.2 5,-0.2 0.868 75.8 63.3 -64.2 -30.5 4.4 -4.8 9.2 98 98 A M H 3> S+ 0 0 68 -36,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.876 103.0 48.4 -59.9 -38.1 2.9 -2.9 12.2 99 99 A E H <> S+ 0 0 92 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.900 110.1 51.0 -66.4 -43.5 -0.5 -4.4 11.2 100 100 A A H X S+ 0 0 49 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.918 110.6 50.4 -55.7 -45.4 1.0 -7.9 10.9 101 101 A Q H X S+ 0 0 96 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.914 109.6 50.5 -61.7 -42.5 2.6 -7.3 14.4 102 102 A R H X S+ 0 0 187 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 110.0 49.3 -60.5 -47.0 -0.9 -6.3 15.8 103 103 A L H X S+ 0 0 117 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.894 110.7 51.2 -57.7 -41.8 -2.6 -9.4 14.4 104 104 A A H X S+ 0 0 62 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.930 109.3 50.2 -64.0 -46.3 0.2 -11.5 15.9 105 105 A G H X S+ 0 0 24 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.889 111.2 48.1 -57.5 -46.4 -0.3 -9.9 19.3 106 106 A V H X S+ 0 0 67 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.954 115.0 44.2 -59.9 -51.0 -4.1 -10.4 19.3 107 107 A I H >< S+ 0 0 113 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.849 104.9 64.0 -64.7 -35.8 -3.8 -14.1 18.3 108 108 A K H 3< S+ 0 0 181 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 95.5 60.4 -51.6 -43.3 -1.0 -14.7 20.8 109 109 A K H 3< 0 0 175 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.708 360.0 360.0 -66.7 -22.6 -3.5 -13.9 23.6 110 110 A F << 0 0 202 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.242 360.0 360.0 -98.3 360.0 -5.7 -16.8 22.5