==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-MAR-09 3GUW . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN AF_1765; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; . AUTHOR F.FOROUHAR,M.SU,J.SEETHARAMAN,F.FANG,R.XIAO,K.CUNNINGHAM, . 932 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 70 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.0 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 8 8 4 4 4 0 0 0 4 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 10 0 12 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 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 Y 0 0 106 0, 0.0 24,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-178.2 36.8 -29.9 55.9 2 3 A F - 0 0 1 208,-0.2 2,-0.4 23,-0.1 25,-0.2 -0.996 360.0-165.2-150.5 142.3 34.5 -30.8 53.0 3 4 A D B -a 27 0A 0 23,-3.0 25,-1.7 -2,-0.3 195,-0.2 -0.828 9.9-161.2-134.4 97.8 30.7 -31.1 52.4 4 5 A S + 0 0 2 193,-0.9 196,-0.6 -2,-0.4 195,-0.4 -0.180 68.0 33.6 -66.6 167.5 29.3 -32.8 49.3 5 6 A H + 0 0 0 1,-0.1 195,-1.5 23,-0.1 196,-0.3 0.937 69.6 143.7 46.7 95.3 25.7 -32.2 48.3 6 7 A L - 0 0 3 22,-1.2 2,-0.7 194,-0.2 196,-0.1 -0.763 45.6-133.1-163.9 105.1 24.8 -28.7 49.2 7 8 A H > - 0 0 12 -2,-0.2 3,-0.6 194,-0.2 22,-0.1 -0.523 21.1-175.9 -68.7 109.7 22.5 -26.5 47.1 8 9 A S G > S+ 0 0 2 -2,-0.7 3,-2.9 1,-0.2 -1,-0.2 0.879 76.2 66.1 -73.8 -43.3 24.1 -23.1 46.7 9 10 A E G 3 S+ 0 0 11 1,-0.3 -1,-0.2 23,-0.1 239,-0.1 0.545 103.8 53.2 -58.5 -3.9 21.3 -21.3 44.8 10 11 A G G < S+ 0 0 0 -3,-0.6 240,-0.5 191,-0.2 2,-0.4 0.167 96.9 81.5-117.4 16.1 19.4 -21.7 48.0 11 12 A L < - 0 0 8 -3,-2.9 2,-0.2 238,-0.2 192,-0.1 -0.942 68.1-136.4-124.0 145.5 21.9 -20.2 50.4 12 13 A G > - 0 0 0 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.601 30.5-107.8 -96.8 161.4 22.6 -16.6 51.2 13 14 A F H > S+ 0 0 47 427,-0.7 4,-2.9 234,-0.4 5,-0.2 0.865 122.0 53.1 -52.9 -39.9 26.0 -15.0 51.6 14 15 A S H > S+ 0 0 60 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.976 111.1 43.6 -59.0 -58.2 25.4 -14.9 55.3 15 16 A E H > S+ 0 0 19 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.880 113.1 55.8 -55.0 -38.9 24.6 -18.6 55.5 16 17 A L H >X S+ 0 0 5 -4,-3.1 3,-1.3 1,-0.2 4,-1.3 0.942 104.3 50.4 -59.9 -51.3 27.6 -19.2 53.2 17 18 A V H 3X S+ 0 0 60 -4,-2.9 4,-1.7 1,-0.3 -1,-0.2 0.741 99.5 65.9 -61.4 -24.9 30.0 -17.4 55.4 18 19 A K H 3< S+ 0 0 89 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.827 101.1 51.6 -65.7 -29.2 28.8 -19.5 58.4 19 20 A L H << S+ 0 0 3 -3,-1.3 5,-0.5 -4,-0.8 4,-0.4 0.951 103.7 55.6 -69.9 -49.7 30.3 -22.4 56.6 20 21 A K H >< S+ 0 0 84 -4,-1.3 2,-1.0 1,-0.3 3,-0.7 0.861 109.4 50.4 -49.8 -42.7 33.7 -20.7 56.1 21 22 A E T 3< S+ 0 0 141 -4,-1.7 -1,-0.3 1,-0.2 -4,-0.0 -0.666 106.9 49.0-102.2 77.2 33.8 -20.3 59.8 22 23 A N T 3 S- 0 0 58 -2,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.187 121.4 -88.3 175.2 -3.7 33.1 -23.7 61.1 23 24 A G S < S+ 0 0 17 -3,-0.7 2,-2.8 -4,-0.4 3,-0.1 -0.149 93.3 118.3 108.6 -38.5 35.4 -25.8 59.0 24 25 A I + 0 0 0 -5,-0.5 -1,-0.1 1,-0.2 -22,-0.1 -0.345 26.9 144.1 -64.7 76.6 33.2 -26.4 56.0 25 26 A K + 0 0 98 -2,-2.8 39,-2.2 -24,-0.3 2,-0.4 0.339 60.3 53.5 -98.7 6.2 35.6 -24.6 53.6 26 27 A E E + b 0 64A 15 37,-0.2 -23,-3.0 -3,-0.1 2,-0.3 -0.975 65.8 164.5-144.3 123.8 34.9 -27.0 50.7 27 28 A V E -ab 3 65A 1 37,-1.6 39,-2.5 -2,-0.4 2,-0.5 -0.900 31.8-136.6-138.6 166.0 31.6 -27.9 49.3 28 29 A C - 0 0 0 -25,-1.7 -22,-1.2 -2,-0.3 2,-0.3 -0.931 22.5-161.1-126.5 103.5 30.0 -29.5 46.3 29 30 A S - 0 0 0 -2,-0.5 39,-1.2 37,-0.4 2,-0.3 -0.687 8.1-153.7 -88.3 139.2 26.9 -27.6 45.0 30 31 A L B -c 68 0B 1 -2,-0.3 39,-0.2 37,-0.2 -22,-0.2 -0.836 19.9-104.1-114.7 151.4 24.5 -29.5 42.7 31 32 A A + 0 0 2 37,-0.9 2,-0.2 -2,-0.3 41,-0.1 -0.441 49.4 150.1 -72.8 141.2 22.0 -28.3 40.1 32 33 A F - 0 0 37 -2,-0.1 -23,-0.1 14,-0.1 39,-0.1 -0.804 34.0-149.5-173.4 127.5 18.4 -28.2 40.9 33 34 A F - 0 0 6 -2,-0.2 2,-1.1 42,-0.1 -2,-0.0 -0.901 16.9-142.5-106.8 111.2 15.4 -26.1 39.9 34 35 A P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.265 87.8 42.5 -55.0 14.8 12.7 -25.7 42.7 35 36 A V S S- 0 0 26 -2,-1.1 251,-0.1 40,-0.1 -2,-0.1 -0.964 99.0 -94.0-159.9 146.6 10.0 -26.0 40.0 36 37 A K - 0 0 115 -2,-0.3 39,-0.1 1,-0.1 40,-0.1 -0.557 48.5-116.7 -71.7 118.8 9.5 -28.2 36.9 37 38 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 242,-0.0 -0.079 13.5-155.5 -53.7 149.0 10.9 -26.4 33.7 38 39 A K S S+ 0 0 87 1,-0.3 241,-0.1 240,-0.1 -2,-0.0 0.605 86.9 31.8 -98.4 -20.9 8.7 -25.4 30.9 39 40 A Y S >> S- 0 0 62 239,-0.1 3,-0.9 39,-0.1 4,-0.5 -0.996 73.1-136.1-139.3 140.2 11.6 -25.5 28.5 40 41 A P H 3> S+ 0 0 0 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.752 101.4 67.8 -67.1 -23.7 14.7 -27.7 28.5 41 42 A Q H 3> S+ 0 0 21 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.770 84.3 71.4 -68.1 -26.9 17.0 -24.7 27.7 42 43 A T H X> S+ 0 0 0 -3,-0.9 4,-2.3 1,-0.2 3,-0.7 0.955 91.4 57.6 -53.2 -50.9 16.3 -23.2 31.1 43 44 A X H 3X S+ 0 0 3 -4,-0.5 4,-1.7 -3,-0.4 -1,-0.2 0.864 99.8 59.3 -47.2 -43.1 18.4 -25.9 32.7 44 45 A I H 3X S+ 0 0 1 -4,-0.7 4,-2.5 -3,-0.3 3,-0.3 0.933 107.9 44.1 -53.0 -49.5 21.3 -24.8 30.6 45 46 A D H S+ 0 0 1 -4,-3.3 5,-2.1 1,-0.2 4,-1.3 0.915 113.1 52.0 -65.2 -40.9 24.6 -19.6 36.6 50 51 A L H <5S+ 0 0 2 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.711 120.5 29.6 -70.1 -23.2 25.8 -22.6 38.6 51 52 A T H <5S+ 0 0 50 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.514 127.2 36.5-116.8 -4.7 29.3 -22.8 37.1 52 53 A E H <5S+ 0 0 84 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.485 130.5 21.3-122.2 -11.2 30.1 -19.2 36.1 53 54 A F T X5S+ 0 0 34 -4,-1.3 4,-2.3 -5,-0.3 3,-0.3 0.653 114.4 58.2-123.9 -47.1 28.6 -17.2 39.0 54 55 A E H > S+ 0 0 30 0, 0.0 4,-2.7 0, 0.0 10,-0.4 0.877 112.5 43.8 -52.9 -36.7 31.8 -20.5 42.4 56 57 A L H > S+ 0 0 95 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.941 109.9 54.4 -69.7 -50.9 32.7 -16.8 42.7 57 58 A R H < S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.2 0.811 115.6 42.4 -52.6 -32.5 29.8 -16.0 45.0 58 59 A C H >X>S+ 0 0 1 -4,-2.3 3,-2.2 -5,-0.2 5,-1.5 0.935 112.4 47.9 -82.0 -52.0 31.1 -18.8 47.2 59 60 A E H 3<5S+ 0 0 114 -4,-2.7 3,-0.4 1,-0.3 -2,-0.2 0.765 103.7 64.8 -61.9 -24.0 34.9 -18.2 47.1 60 61 A A T 3<5S+ 0 0 73 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.683 105.0 45.3 -71.1 -16.2 34.1 -14.6 47.9 61 62 A A T <45S- 0 0 11 -3,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.494 131.4 -94.6-100.9 -9.8 32.8 -15.8 51.2 62 63 A G T <5S+ 0 0 26 -4,-0.6 2,-0.4 -3,-0.4 -3,-0.2 0.718 87.4 116.0 102.4 27.1 35.7 -18.1 51.8 63 64 A V < - 0 0 2 -5,-1.5 2,-1.0 -8,-0.1 -1,-0.3 -0.991 57.3-140.0-133.5 129.4 34.5 -21.4 50.4 64 65 A K E -b 26 0A 117 -39,-2.2 -37,-1.6 -2,-0.4 2,-0.4 -0.734 28.1-161.9 -85.8 100.9 35.8 -23.4 47.4 65 66 A X E -b 27 0A 10 -2,-1.0 -37,-0.2 -10,-0.4 -6,-0.1 -0.706 12.1-155.3 -90.7 136.8 32.7 -24.7 45.8 66 67 A H - 0 0 23 -39,-2.5 -37,-0.4 -2,-0.4 -15,-0.1 -0.924 22.0-142.8-110.8 104.3 32.8 -27.6 43.3 67 68 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 26,-0.2 -0.230 13.9-164.3 -65.4 152.3 29.7 -27.3 41.0 68 69 A A B -c 30 0B 3 -39,-1.2 -37,-0.9 25,-0.1 2,-0.3 -0.990 4.6-158.8-139.9 140.8 27.8 -30.3 39.8 69 70 A V + 0 0 6 25,-2.2 27,-0.4 -2,-0.3 2,-0.3 -0.871 31.9 99.8-123.8 156.6 25.3 -30.4 36.9 70 71 A G - 0 0 1 -2,-0.3 2,-0.4 25,-0.2 28,-0.1 -0.987 64.6 -71.4 163.5-163.5 22.5 -32.6 35.8 71 72 A I - 0 0 4 -2,-0.3 28,-0.4 39,-0.1 5,-0.1 -0.894 35.3-142.5-134.5 107.9 18.7 -33.0 35.9 72 73 A H > - 0 0 8 -2,-0.4 3,-1.5 26,-0.2 26,-0.1 -0.311 21.2-123.7 -62.2 146.0 16.8 -33.7 39.1 73 74 A P G > S+ 0 0 11 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.779 108.2 60.3 -63.1 -30.0 13.8 -36.0 38.7 74 75 A R G 3 S+ 0 0 165 1,-0.3 -2,-0.1 26,-0.1 -38,-0.1 0.378 111.7 40.3 -81.7 7.4 11.4 -33.5 40.2 75 76 A C G < S+ 0 0 0 -3,-1.5 -1,-0.3 -39,-0.1 -3,-0.2 -0.250 70.9 156.1-150.4 52.7 12.2 -31.0 37.5 76 77 A I < - 0 0 10 -3,-0.7 4,-0.1 -5,-0.1 -40,-0.1 -0.753 33.4-145.0 -86.2 108.0 12.4 -33.0 34.2 77 78 A P > - 0 0 1 0, 0.0 3,-0.8 0, 0.0 -39,-0.1 -0.265 24.6-103.8 -67.6 160.1 11.8 -30.5 31.3 78 79 A P T 3 S+ 0 0 81 0, 0.0 2,-2.7 0, 0.0 3,-0.2 0.964 115.1 37.5 -49.9 -77.8 9.9 -31.8 28.3 79 80 A D T > + 0 0 34 1,-0.2 3,-2.7 2,-0.1 4,-0.4 -0.304 69.6 162.6 -76.5 61.2 12.6 -32.2 25.7 80 81 A Y T X> + 0 0 18 -2,-2.7 4,-0.9 -3,-0.8 3,-0.8 0.676 67.3 75.0 -54.5 -16.7 15.2 -33.4 28.3 81 82 A E H >> S+ 0 0 110 1,-0.3 4,-1.1 -3,-0.2 3,-0.9 0.905 87.3 60.7 -61.1 -40.6 17.1 -34.6 25.2 82 83 A F H <> S+ 0 0 40 -3,-2.7 4,-1.0 1,-0.3 -1,-0.3 0.759 101.1 52.7 -59.6 -27.5 18.0 -31.0 24.7 83 84 A V H <> S+ 0 0 2 -3,-0.8 4,-1.0 -4,-0.4 -1,-0.3 0.720 103.8 55.5 -83.4 -22.0 19.8 -30.8 28.0 84 85 A L H X S+ 0 0 51 -4,-1.0 4,-1.1 1,-0.2 3,-0.8 0.846 115.5 52.2 -56.5 -35.9 24.7 -29.3 25.9 87 88 A L H 3< S+ 0 0 0 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.946 98.3 60.4 -66.5 -50.2 26.1 -31.6 28.5 88 89 A E T 3< S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.426 111.4 47.6 -62.0 6.2 27.8 -34.0 26.1 89 90 A E T <4 S+ 0 0 148 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.693 95.4 59.4-108.2 -88.5 29.8 -30.9 25.1 90 91 A G S < S- 0 0 32 -4,-1.1 2,-0.2 1,-0.1 -1,-0.0 0.038 86.8-108.1 -44.3 151.4 31.2 -28.8 28.0 91 92 A E - 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