==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUN-09 2KKU . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR B.WU,A.YEE,C.FARES,A.LEMAK,S.RUMPEL,A.SEMEST,G.T.MONTELIONE, . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 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 . 0 0.0 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 . 22 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 2 0 0 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 . 1 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 . 2 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 145 0, 0.0 3,-1.8 0, 0.0 138,-0.1 0.000 360.0 360.0 360.0 166.4 1.9 -0.0 -1.7 2 2 A S T 3 + 0 0 119 1,-0.3 0, 0.0 136,-0.1 0, 0.0 0.597 360.0 77.3 -64.9 -14.3 4.9 2.3 -2.4 3 3 A K T 3 S- 0 0 119 136,-0.3 -1,-0.3 1,-0.2 135,-0.0 0.748 82.5-170.6 -62.2 -25.9 2.6 4.2 -4.9 4 4 A I < - 0 0 27 -3,-1.8 135,-1.1 135,-0.1 134,-0.3 -0.238 19.4-146.6 62.1-168.5 1.0 5.8 -1.8 5 5 A V E -A 138 0A 34 132,-1.1 37,-1.4 1,-0.3 2,-0.2 -0.025 56.2 -56.3-145.9 -42.8 -2.3 7.8 -2.6 6 6 A G E -Ab 137 42A 0 131,-2.4 131,-1.0 35,-0.2 -1,-0.3 -0.898 51.5 -85.8-170.1-161.2 -2.1 10.7 -0.0 7 7 A V E -Ab 136 43A 1 35,-1.5 37,-1.8 129,-0.3 2,-0.4 -0.914 26.1-144.7-127.8 156.1 -1.8 11.7 3.6 8 8 A T E -Ab 135 44A 4 127,-2.6 127,-1.7 -2,-0.3 37,-0.2 -0.983 15.5-177.9-125.5 135.9 -4.5 12.2 6.4 9 9 A Y E - b 0 45A 3 35,-1.4 37,-2.2 -2,-0.4 123,-0.1 -0.996 27.6-151.1-132.4 139.3 -4.4 14.8 9.2 10 10 A P - 0 0 26 0, 0.0 6,-0.1 0, 0.0 122,-0.1 0.760 45.1-132.7 -71.8 -26.7 -6.9 15.4 12.1 11 11 A I - 0 0 10 121,-0.2 5,-0.2 1,-0.1 121,-0.0 0.800 10.1-117.0 66.9 117.3 -5.9 19.2 12.0 12 12 A P S S+ 0 0 83 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.639 93.2 30.7 -62.1 -16.6 -5.1 20.6 15.6 13 13 A K S S- 0 0 73 0, 0.0 3,-0.4 0, 0.0 69,-0.0 -0.698 101.9 -83.5-130.7-176.4 -8.0 23.2 15.4 14 14 A R S > S+ 0 0 199 1,-0.2 3,-1.5 -2,-0.2 4,-0.1 0.368 93.0 108.0 -74.9 6.8 -11.5 23.5 13.8 15 15 A F T 3 + 0 0 45 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.222 46.3 94.0 -78.0 15.0 -9.9 24.7 10.5 16 16 A M T >> S+ 0 0 27 -3,-0.4 4,-0.6 1,-0.2 3,-0.6 0.840 80.0 61.7 -62.2 -33.1 -10.8 21.4 8.8 17 17 A D H <> S+ 0 0 67 -3,-1.5 4,-2.0 1,-0.2 3,-0.2 0.698 86.6 74.3 -68.7 -25.8 -14.0 23.3 7.7 18 18 A R H 3> S+ 0 0 63 -3,-0.3 4,-2.1 1,-0.2 5,-0.4 0.912 94.3 49.6 -53.5 -49.3 -11.8 25.9 5.7 19 19 A F H <> S+ 0 0 0 -3,-0.6 4,-1.0 -4,-0.5 98,-0.2 0.824 115.9 43.1 -64.5 -31.2 -11.1 23.4 2.9 20 20 A F H < S+ 0 0 49 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.737 110.8 57.5 -85.7 -26.6 -14.8 22.5 2.6 21 21 A K H < S+ 0 0 137 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.946 123.2 19.5 -68.4 -52.6 -15.9 26.2 2.8 22 22 A K H < S- 0 0 52 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.598 93.8-132.2 -99.8 -16.9 -13.8 27.6 -0.1 23 23 A G S < S+ 0 0 33 -4,-1.0 94,-1.5 -5,-0.4 93,-0.5 0.313 91.1 55.1 80.0 -8.5 -13.3 24.2 -2.0 24 24 A K + 0 0 95 -6,-0.3 91,-0.2 91,-0.2 2,-0.2 -0.774 67.6 154.2-158.6 107.2 -9.5 25.1 -2.4 25 25 A D E -C 114 0A 0 89,-1.2 89,-2.7 -2,-0.2 2,-0.4 -0.580 38.6-115.9-126.2-179.6 -7.3 25.9 0.6 26 26 A V E -Cd 113 80A 5 53,-1.9 55,-1.9 87,-0.2 2,-0.6 -0.967 18.3-157.4-130.7 113.9 -3.5 25.7 1.6 27 27 A F E -C 112 0A 2 85,-1.6 85,-2.5 -2,-0.4 2,-0.3 -0.836 14.7-156.1 -94.0 115.0 -2.3 23.4 4.5 28 28 A V E -C 111 0A 8 -2,-0.6 83,-0.2 83,-0.2 -2,-0.0 -0.664 8.8-169.3 -94.4 147.1 1.0 24.6 5.9 29 29 A K E -C 110 0A 20 81,-2.3 81,-2.4 -2,-0.3 2,-1.4 -1.000 26.9-139.6-134.8 128.8 3.6 22.3 7.8 30 30 A P S S- 0 0 29 0, 0.0 79,-0.2 0, 0.0 78,-0.1 -0.322 81.9 -64.7 -78.4 54.1 6.7 23.3 9.9 31 31 A A S S+ 0 0 57 -2,-1.4 3,-0.1 79,-0.1 78,-0.1 0.946 94.4 130.3 57.4 97.9 8.5 20.2 8.2 32 32 A T + 0 0 49 1,-0.3 2,-0.2 -3,-0.1 101,-0.0 0.472 53.2 65.4-136.8 -54.2 6.7 17.0 9.4 33 33 A V S S- 0 0 19 1,-0.1 -1,-0.3 2,-0.0 2,-0.0 -0.503 73.6-137.2 -79.3 148.6 5.9 14.8 6.4 34 34 A W > - 0 0 192 -2,-0.2 3,-1.8 -3,-0.1 -1,-0.1 -0.024 47.0 -58.7 -93.3-162.3 8.7 13.3 4.2 35 35 A K T 3 S+ 0 0 194 1,-0.3 -2,-0.0 -2,-0.0 -1,-0.0 0.372 115.6 83.1 -73.4 3.4 9.2 13.0 0.4 36 36 A E T 3 S+ 0 0 66 1,-0.1 2,-1.3 2,-0.0 -1,-0.3 0.807 70.3 92.1 -67.4 -31.4 5.9 11.0 -0.1 37 37 A L < + 0 0 18 -3,-1.8 -1,-0.1 4,-0.0 26,-0.1 -0.522 59.5 157.4 -68.6 91.0 4.3 14.5 -0.2 38 38 A K > - 0 0 109 -2,-1.3 2,-0.9 22,-0.0 3,-0.6 -0.871 53.4 -96.0-115.4 153.8 4.4 15.1 -4.0 39 39 A P T 3 S+ 0 0 66 0, 0.0 22,-0.3 0, 0.0 23,-0.1 -0.573 110.8 48.2 -72.2 102.8 2.2 17.6 -6.1 40 40 A G T 3 S+ 0 0 46 20,-1.5 21,-0.2 -2,-0.9 2,-0.1 0.540 86.0 103.4 135.1 29.8 -0.6 15.2 -7.4 41 41 A M E < - E 0 60A 16 19,-0.9 19,-0.6 -3,-0.6 2,-0.3 -0.327 66.1-102.7-111.4-166.5 -1.8 13.2 -4.3 42 42 A K E -bE 6 59A 52 -37,-1.4 -35,-1.5 17,-0.3 2,-0.4 -0.868 16.2-151.5-117.1 161.1 -4.9 13.4 -2.0 43 43 A F E -b 7 0A 0 15,-1.7 2,-0.5 -2,-0.3 15,-0.3 -0.891 11.1-157.5-135.7 101.1 -5.3 14.8 1.5 44 44 A V E -b 8 0A 2 -37,-1.8 -35,-1.4 -2,-0.4 2,-0.8 -0.699 13.7-138.0 -84.3 120.6 -8.0 13.1 3.6 45 45 A F E -bF 9 56A 0 11,-1.4 11,-1.7 -2,-0.5 10,-1.4 -0.749 16.4-150.9 -84.5 108.7 -9.2 15.3 6.4 46 46 A Y - 0 0 3 -37,-2.2 3,-0.1 -2,-0.8 7,-0.1 -0.565 12.5-172.9 -76.8 145.7 -9.6 13.2 9.6 47 47 A Q - 0 0 90 1,-0.4 2,-0.2 -2,-0.2 6,-0.2 0.849 49.3 -43.3-105.0 -68.2 -12.3 14.3 12.1 48 48 A S - 0 0 62 4,-0.5 -1,-0.4 1,-0.1 6,-0.2 -0.884 58.5 -86.2-158.8 177.2 -12.3 12.4 15.4 49 49 A H S > S+ 0 0 96 -2,-0.2 3,-0.7 4,-0.1 -1,-0.1 0.091 82.9 51.2 -82.0-162.9 -12.0 8.8 16.8 50 50 A E T 3 S- 0 0 164 1,-0.2 -2,-0.1 76,-0.1 3,-0.1 -0.320 122.3 -38.9 66.8-150.9 -14.8 6.1 17.4 51 51 A D T 3 S+ 0 0 94 1,-0.2 2,-1.0 74,-0.1 -1,-0.2 0.634 127.9 79.0 -77.3 -16.4 -17.1 5.3 14.4 52 52 A T < + 0 0 71 -3,-0.7 -4,-0.5 73,-0.1 2,-0.3 -0.711 64.4 127.4-102.8 81.1 -17.1 9.0 13.4 53 53 A G B +H 124 0B 0 71,-1.3 71,-1.1 -2,-1.0 -4,-0.1 -0.820 42.0 42.4-125.3 170.6 -13.8 9.8 11.6 54 54 A F - 0 0 22 -2,-0.3 70,-0.6 -6,-0.2 -8,-0.3 0.973 49.2-167.7 56.4 91.6 -12.7 11.3 8.2 55 55 A V - 0 0 12 -10,-1.4 65,-1.8 1,-0.2 2,-0.3 0.749 63.4 -48.4 -78.0 -25.6 -14.9 14.5 7.6 56 56 A G E -FG 45 119A 0 -11,-1.7 -11,-1.4 63,-0.3 63,-0.3 -0.949 51.9-117.5-177.3-165.9 -13.6 14.7 3.9 57 57 A E E - G 0 118A 13 61,-1.7 61,-1.0 -13,-0.3 -13,-0.3 -0.884 17.8-174.8-145.4 178.0 -10.7 14.6 1.5 58 58 A A E - 0 0 0 -15,-0.3 -15,-1.7 59,-0.3 2,-0.5 -0.848 32.1 -91.8-157.5-171.1 -8.9 16.9 -1.1 59 59 A R E -EG 42 115A 97 56,-2.2 56,-2.3 -17,-0.3 -17,-0.3 -0.982 31.0-132.4-125.8 117.8 -6.1 16.8 -3.7 60 60 A I E +EG 41 114A 0 -19,-0.6 -20,-1.5 -2,-0.5 -19,-0.9 -0.518 38.5 160.3 -69.3 131.5 -2.5 17.7 -2.9 61 61 A K E - G 0 113A 72 52,-2.1 52,-1.3 -22,-0.3 -21,-0.1 -0.649 43.4 -1.4-141.5-166.6 -1.0 20.1 -5.4 62 62 A R E - 0 0 160 -2,-0.2 2,-0.5 50,-0.2 51,-0.5 0.216 62.7-148.8 -42.7 114.5 1.9 22.6 -5.8 63 63 A V E - 0 0 40 49,-0.2 2,-0.8 -3,-0.1 49,-0.2 -0.780 3.0-145.0 -89.3 123.7 3.9 22.9 -2.5 64 64 A V E - G 0 111A 50 47,-2.4 47,-2.1 -2,-0.5 2,-0.7 -0.847 15.3-158.5 -90.2 108.2 5.5 26.3 -1.7 65 65 A L E + G 0 110A 111 -2,-0.8 2,-0.3 45,-0.2 45,-0.2 -0.831 29.9 142.6 -95.6 113.9 8.8 25.5 0.1 66 66 A S E - G 0 109A 25 43,-2.2 43,-1.7 -2,-0.7 6,-0.1 -0.990 51.2-135.2-153.5 144.2 10.0 28.5 2.2 67 67 A E S S+ 0 0 77 -2,-0.3 40,-0.3 41,-0.3 43,-0.1 0.746 90.8 69.3 -74.3 -27.7 11.7 29.0 5.5 68 68 A N > - 0 0 65 1,-0.1 3,-0.8 41,-0.1 4,-0.5 -0.848 65.2-158.3 -94.9 123.6 9.4 31.9 6.7 69 69 A P T >> S+ 0 0 7 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.793 92.9 67.5 -63.8 -25.0 5.7 30.9 7.4 70 70 A M H 3> S+ 0 0 76 1,-0.3 4,-1.1 2,-0.2 5,-0.2 0.682 85.7 69.2 -74.5 -18.1 4.8 34.6 6.9 71 71 A Q H <> S+ 0 0 74 -3,-0.8 4,-1.8 1,-0.2 -1,-0.3 0.882 101.2 47.1 -58.2 -40.8 5.7 34.2 3.1 72 72 A F H <>>S+ 0 0 1 -3,-1.0 4,-2.1 -4,-0.5 5,-2.0 0.775 110.8 51.4 -73.7 -29.2 2.6 32.0 2.9 73 73 A F H <5S+ 0 0 19 -4,-0.8 -1,-0.2 3,-0.2 -2,-0.2 0.619 113.7 43.1 -86.9 -15.6 0.5 34.6 4.8 74 74 A E H <5S+ 0 0 136 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.738 122.5 39.4 -93.2 -31.9 1.5 37.5 2.5 75 75 A T H <5S- 0 0 97 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.960 144.2 -1.7 -76.6 -58.1 1.1 35.3 -0.7 76 76 A F T <5S+ 0 0 53 -4,-2.1 2,-1.9 -5,-0.2 3,-0.5 0.893 75.4 149.2 -98.4 -67.3 -2.1 33.4 0.3 77 77 A G S > - 0 0 62 -2,-0.2 4,-1.6 -4,-0.1 3,-0.2 -0.505 33.4 -98.3 -98.8 175.7 -4.3 33.0 9.7 84 84 A K H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.783 125.7 59.2 -65.3 -28.3 -1.0 34.8 10.9 85 85 A D H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.895 107.0 46.1 -62.7 -43.5 -2.8 35.5 14.2 86 86 A E H > S+ 0 0 41 -3,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.812 112.3 53.4 -67.0 -33.9 -3.2 31.7 14.6 87 87 A L H X S+ 0 0 4 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.942 108.1 47.0 -64.5 -52.6 0.5 31.3 13.6 88 88 A K H X S+ 0 0 122 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.868 115.6 44.6 -65.5 -38.3 1.9 33.7 16.2 89 89 A E H X S+ 0 0 90 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.825 113.3 53.4 -71.1 -33.4 -0.1 32.2 19.1 90 90 A Y H X S+ 0 0 64 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.922 110.8 43.9 -66.8 -48.1 0.7 28.6 17.9 91 91 A M H X S+ 0 0 75 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.890 115.9 48.7 -66.4 -41.0 4.5 29.2 17.9 92 92 A K H X S+ 0 0 105 -4,-1.7 4,-2.2 -5,-0.2 5,-0.3 0.902 108.1 55.6 -62.2 -40.8 4.3 31.0 21.3 93 93 A S H X>S+ 0 0 45 -4,-2.1 4,-1.8 1,-0.2 5,-0.9 0.854 107.6 48.5 -62.6 -37.7 2.2 28.0 22.6 94 94 A Q H <5S+ 0 0 74 -4,-1.6 7,-1.0 3,-0.2 -1,-0.2 0.838 116.9 41.3 -71.3 -34.9 5.0 25.5 21.6 95 95 A E H <5S+ 0 0 59 -4,-1.4 -2,-0.2 5,-0.2 -1,-0.2 0.720 122.9 36.7 -89.6 -22.1 7.8 27.6 23.3 96 96 A R H <5S+ 0 0 158 -4,-2.2 3,-0.2 4,-0.1 -3,-0.2 0.737 133.3 23.7-101.2 -29.5 5.9 28.7 26.5 97 97 A W T <5S+ 0 0 184 -4,-1.8 2,-1.3 -5,-0.3 -3,-0.2 0.709 113.2 67.1-104.6 -32.3 3.9 25.4 27.2 98 98 A G S - 0 0 62 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.073 43.4 -85.5 -71.2-178.0 -2.5 11.4 15.6 132 132 A V T 3 S+ 0 0 100 1,-0.3 -121,-0.2 -123,-0.1 3,-0.1 0.830 131.5 59.0 -59.7 -33.5 -1.4 15.1 15.3 133 133 A G T 3 S- 0 0 43 1,-0.1 -1,-0.3 -124,-0.1 -3,-0.0 0.715 107.6-141.7 -66.3 -25.3 1.6 13.8 13.2 134 134 A G < - 0 0 15 -3,-1.3 2,-0.3 -127,-0.1 -125,-0.2 0.152 5.6 -96.3 81.5 163.2 -0.9 12.3 10.8 135 135 A Q E -A 8 0A 41 -127,-1.7 -127,-2.6 -4,-0.1 2,-0.8 -0.905 24.0-119.2-119.7 146.3 -0.9 8.9 8.8 136 136 A Y E -A 7 0A 42 -2,-0.3 2,-0.6 -129,-0.2 -129,-0.3 -0.772 23.8-149.8 -84.2 110.2 0.2 8.1 5.2 137 137 A L E +A 6 0A 58 -131,-1.0 -131,-2.4 -2,-0.8 -132,-1.1 -0.734 25.0 176.4 -77.4 119.1 -2.8 6.7 3.2 138 138 A R E A 5 0A 133 -2,-0.6 -133,-0.2 -134,-0.3 -136,-0.1 -0.989 360.0 360.0-129.7 137.9 -1.3 4.2 0.7 139 139 A E 0 0 153 -135,-1.1 -136,-0.3 -2,-0.4 -135,-0.1 -0.751 360.0 360.0 -84.5 360.0 -3.2 2.0 -1.8