==== 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 01-SEP-06 2I8E . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR S.WANG,M.D.ZIMMERMAN,M.KUDRITSKA,M.CHRUSZCZ,A.SAVCHENKO,A.ED . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 65.9 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 . 21 23.9 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 3 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 0 0 0 0 0 0 0 0 2 0 0 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 . 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 94 0, 0.0 40,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 137.4 34.5 27.2 1.7 2 3 A X E -A 40 0A 121 38,-1.1 38,-2.4 73,-0.0 2,-0.3 -0.622 360.0-113.1 -91.1 156.8 38.1 27.5 2.7 3 4 A L E -AB 39 74A 29 71,-0.7 71,-2.0 36,-0.2 2,-0.4 -0.664 33.4-162.5 -84.7 148.5 39.6 25.5 5.5 4 5 A Y E -AB 38 73A 19 34,-2.3 34,-2.2 -2,-0.3 2,-0.5 -0.976 14.3-147.2-130.7 143.8 40.7 27.4 8.6 5 6 A L E -AB 37 72A 52 67,-2.7 67,-2.7 -2,-0.4 2,-0.5 -0.927 16.7-163.1-102.5 136.9 43.0 26.6 11.5 6 7 A I E +AB 36 71A 0 30,-3.1 30,-2.6 -2,-0.5 2,-0.4 -0.959 10.8 176.2-125.6 116.2 42.0 28.1 14.8 7 8 A F E -AB 35 70A 88 63,-2.4 63,-2.9 -2,-0.5 2,-0.3 -0.891 6.2-174.1-114.7 146.2 44.5 28.3 17.7 8 9 A Y E - B 0 69A 2 26,-2.1 2,-0.4 -2,-0.4 61,-0.2 -0.984 22.8-163.9-142.4 154.6 43.9 30.0 21.0 9 10 A D E + B 0 68A 51 59,-2.6 59,-1.6 -2,-0.3 2,-0.5 -0.929 27.1 160.8-132.5 100.8 45.7 30.9 24.2 10 11 A I E - B 0 67A 6 -2,-0.4 57,-0.2 57,-0.2 6,-0.1 -0.969 21.5-170.8-132.5 113.9 43.2 31.7 26.9 11 12 A T + 0 0 47 55,-2.4 2,-0.5 -2,-0.5 -1,-0.1 0.814 65.3 86.1 -80.0 -28.7 44.3 31.5 30.5 12 13 A D S > S- 0 0 61 54,-0.5 4,-2.5 1,-0.2 5,-0.2 -0.608 70.3-149.4 -76.4 118.7 40.9 31.9 32.1 13 14 A D H > S+ 0 0 94 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.859 93.6 49.9 -57.6 -41.4 39.4 28.4 32.4 14 15 A N H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 113.7 43.6 -68.3 -42.3 35.8 29.6 32.1 15 16 A L H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.886 113.3 53.6 -67.1 -37.5 36.4 31.7 29.0 16 17 A R H X S+ 0 0 34 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.948 109.9 46.3 -62.5 -45.6 38.5 28.9 27.5 17 18 A N H X S+ 0 0 78 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.864 109.5 55.4 -63.7 -38.3 35.7 26.4 27.9 18 19 A R H X S+ 0 0 108 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.887 109.9 46.4 -58.5 -44.6 33.2 28.9 26.5 19 20 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.935 112.7 48.6 -63.6 -49.3 35.4 29.2 23.3 20 21 A A H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.932 113.1 48.4 -58.4 -43.8 35.8 25.4 23.0 21 22 A E H X S+ 0 0 99 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.913 111.9 49.0 -60.5 -46.6 32.1 24.9 23.4 22 23 A F H X S+ 0 0 32 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.928 112.2 47.6 -59.0 -46.1 31.2 27.6 20.8 23 24 A L H X>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-0.5 0.907 111.1 51.1 -68.8 -37.4 33.6 26.2 18.3 24 25 A K H ><5S+ 0 0 144 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 0.931 110.4 49.7 -61.5 -45.1 32.4 22.6 18.7 25 26 A K H 3<5S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.0 57.6 -63.5 -32.2 28.8 23.8 18.3 26 27 A K H 3<5S- 0 0 72 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.600 123.4-106.5 -79.2 -4.7 29.6 25.7 15.1 27 28 A G T <<5 + 0 0 50 -3,-1.2 -3,-0.2 -4,-0.5 12,-0.2 0.528 66.6 148.0 99.5 8.9 30.9 22.4 13.7 28 29 A L < - 0 0 10 -5,-2.0 2,-0.4 10,-0.1 -1,-0.3 -0.411 48.9-114.1 -77.3 154.3 34.7 22.7 13.8 29 30 A D E -C 37 0A 106 8,-2.9 8,-2.4 -2,-0.1 2,-0.5 -0.744 23.2-135.3 -88.1 128.8 36.9 19.7 14.4 30 31 A R E +C 36 0A 128 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.748 29.4 169.1 -85.7 124.9 39.0 19.7 17.6 31 32 A I E + 0 0 72 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.579 65.2 1.8-113.8 -8.3 42.5 18.7 16.9 32 33 A Q E > S-C 35 0A 101 3,-1.8 3,-1.3 1,-0.1 -1,-0.3 -0.958 89.4 -81.9-160.8 168.8 44.2 19.6 20.3 33 34 A Y T 3 S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.2 -13,-0.0 0.871 130.6 17.4 -41.8 -43.0 43.2 21.1 23.6 34 35 A S T 3 S+ 0 0 19 -3,-0.0 -26,-2.1 -4,-0.0 2,-0.4 -0.011 113.0 85.4-126.7 30.1 43.4 24.6 22.2 35 36 A V E < +AC 7 32A 23 -3,-1.3 -4,-2.6 -28,-0.2 -3,-1.8 -0.996 44.3 173.1-138.8 134.4 43.2 24.0 18.4 36 37 A F E -AC 6 30A 3 -30,-2.6 -30,-3.1 -2,-0.4 2,-0.3 -0.864 6.2-170.8-128.6 161.3 40.3 23.5 16.0 37 38 A X E +AC 5 29A 18 -8,-2.4 -8,-2.9 -2,-0.3 2,-0.3 -0.994 20.5 119.9-148.8 150.5 40.1 23.2 12.2 38 39 A G E -A 4 0A 6 -34,-2.2 -34,-2.3 -2,-0.3 2,-0.2 -0.928 55.9 -68.9 169.8 173.0 37.4 23.2 9.6 39 40 A D E +A 3 0A 82 -2,-0.3 2,-0.3 -36,-0.2 -36,-0.2 -0.555 42.9 176.7 -83.0 141.1 35.7 24.7 6.6 40 41 A L E -A 2 0A 1 -38,-2.4 -38,-1.1 -2,-0.2 2,-0.1 -0.944 13.2-158.4-145.2 119.7 34.0 28.1 6.9 41 42 A N > - 0 0 68 -2,-0.3 4,-2.6 -40,-0.2 5,-0.2 -0.242 47.9 -82.2 -79.1-174.7 32.5 30.1 4.1 42 43 A S H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.926 128.4 47.0 -58.7 -46.3 31.9 33.8 4.4 43 44 A S H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 116.1 43.3 -63.9 -46.0 28.7 33.6 6.4 44 45 A R H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 112.1 53.4 -72.6 -34.7 30.0 31.0 8.9 45 46 A L H X S+ 0 0 39 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.927 108.7 49.8 -64.0 -41.4 33.3 32.7 9.3 46 47 A K H X S+ 0 0 77 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.894 110.3 50.3 -61.4 -41.6 31.6 36.0 10.2 47 48 A D H X S+ 0 0 72 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.896 111.7 48.4 -65.0 -43.2 29.4 34.2 12.7 48 49 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.930 112.9 47.4 -60.3 -50.3 32.5 32.6 14.3 49 50 A E H X S+ 0 0 89 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.937 112.9 49.1 -57.7 -47.8 34.4 35.9 14.5 50 51 A A H X S+ 0 0 53 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.883 112.3 46.7 -63.0 -39.6 31.4 37.7 16.0 51 52 A G H X S+ 0 0 13 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.908 110.8 51.3 -72.9 -39.3 30.8 35.1 18.6 52 53 A L H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.901 107.1 55.1 -60.5 -37.0 34.4 34.9 19.7 53 54 A K H < S+ 0 0 134 -4,-2.2 4,-0.2 -5,-0.2 -1,-0.2 0.869 105.3 53.2 -65.7 -32.9 34.5 38.7 20.0 54 55 A I H >< S+ 0 0 105 -4,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.920 107.7 49.6 -66.5 -41.4 31.6 38.5 22.4 55 56 A I H 3< S+ 0 0 9 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.893 114.5 46.2 -64.6 -35.3 33.4 36.0 24.6 56 57 A G T 3< S+ 0 0 25 -4,-2.0 2,-2.5 -5,-0.2 -1,-0.3 0.396 76.7 113.6 -84.9 2.1 36.4 38.3 24.6 57 58 A N < + 0 0 143 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.1 -0.411 60.0 99.5 -80.2 73.8 34.4 41.5 25.3 58 59 A R S S- 0 0 128 -2,-2.5 2,-0.4 0, 0.0 -3,-0.0 -0.918 74.2-114.5-148.0 155.4 36.1 41.8 28.6 59 60 A K - 0 0 175 -2,-0.3 2,-0.2 1,-0.0 -2,-0.0 -0.828 39.8-106.7 -96.8 149.5 38.8 43.7 30.2 60 61 A K - 0 0 126 -2,-0.4 3,-0.1 1,-0.1 -1,-0.0 -0.487 29.5-167.5 -66.8 142.2 41.8 41.8 31.4 61 62 A L + 0 0 156 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.748 67.4 33.7-107.7 -37.0 42.0 41.5 35.3 62 63 A Q S > S- 0 0 115 1,-0.1 3,-1.5 0, 0.0 -1,-0.2 -0.943 80.9-120.4-120.7 150.8 45.5 40.2 36.1 63 64 A E T 3 S+ 0 0 154 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.831 111.3 51.4 -65.9 -26.3 48.6 41.1 34.2 64 65 A D T 3 S+ 0 0 112 2,-0.1 -1,-0.3 -3,-0.0 -53,-0.1 0.549 83.8 112.0 -86.8 -6.8 49.5 37.6 33.3 65 66 A E < - 0 0 19 -3,-1.5 2,-0.4 -54,-0.1 -5,-0.1 -0.373 48.8-167.1 -66.3 140.2 46.0 36.8 31.9 66 67 A R + 0 0 122 2,-0.0 -55,-2.4 -2,-0.0 -54,-0.5 -0.990 21.0 178.2-132.0 145.4 45.8 36.2 28.2 67 68 A F E +B 10 0A 73 -2,-0.4 2,-0.4 -57,-0.2 -57,-0.2 -0.869 23.5 151.2-143.1 108.9 43.1 35.9 25.6 68 69 A F E -B 9 0A 101 -59,-1.6 -59,-2.6 -2,-0.3 2,-0.4 -0.993 18.1-178.8-144.7 128.9 44.2 35.4 22.1 69 70 A I E -B 8 0A 37 -2,-0.4 2,-0.5 -61,-0.2 -61,-0.2 -1.000 6.2-167.8-131.2 127.8 42.6 33.6 19.2 70 71 A L E -B 7 0A 82 -63,-2.9 -63,-2.4 -2,-0.4 2,-0.5 -0.981 1.2-171.5-115.9 124.0 44.2 33.3 15.7 71 72 A I E +B 6 0A 51 -2,-0.5 -65,-0.2 -65,-0.2 -2,-0.0 -0.979 12.9 175.1-113.8 121.1 42.2 32.1 12.7 72 73 A V E -B 5 0A 59 -67,-2.7 -67,-2.7 -2,-0.5 2,-0.2 -0.994 30.4-123.3-131.2 132.7 44.2 31.4 9.6 73 74 A P E +B 4 0A 72 0, 0.0 2,-0.3 0, 0.0 -69,-0.3 -0.530 40.6 164.9 -71.4 139.3 43.1 30.0 6.2 74 75 A I E -B 3 0A 29 -71,-2.0 -71,-0.7 -2,-0.2 2,-0.3 -0.886 30.9-117.3-140.3 171.8 45.1 26.9 5.2 75 76 A T > - 0 0 73 -2,-0.3 4,-2.3 -73,-0.1 5,-0.1 -0.739 26.7-114.1-108.5 160.3 44.7 24.1 2.7 76 77 A E H > S+ 0 0 96 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.878 119.1 54.1 -58.0 -40.7 44.2 20.4 3.3 77 78 A N H > S+ 0 0 84 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.935 106.4 50.1 -58.3 -45.3 47.6 19.8 1.7 78 79 A Q H >4 S+ 0 0 112 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.921 111.2 50.2 -58.8 -42.8 49.3 22.2 4.1 79 80 A F H >< S+ 0 0 29 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.898 105.6 54.1 -63.6 -39.4 47.7 20.5 7.0 80 81 A R H 3< S+ 0 0 156 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.741 106.7 55.5 -63.1 -23.0 48.8 17.1 5.8 81 82 A E T << S+ 0 0 141 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.279 84.1 124.7 -92.0 8.8 52.3 18.6 5.7 82 83 A R < - 0 0 129 -3,-1.8 2,-0.5 -5,-0.1 -3,-0.1 -0.227 53.0-142.9 -64.7 155.9 52.1 19.6 9.4 83 84 A I - 0 0 149 2,-0.0 2,-0.4 0, 0.0 -2,-0.1 -0.987 15.1-164.9-118.6 130.8 54.7 18.5 12.0 84 85 A V - 0 0 115 -2,-0.5 2,-0.5 2,-0.0 -2,-0.0 -0.972 2.5-168.4-117.9 132.5 53.4 17.8 15.5 85 86 A I + 0 0 151 -2,-0.4 2,-0.2 0, 0.0 3,-0.1 -0.963 17.2 152.1-121.7 129.6 55.7 17.5 18.5 86 87 A G - 0 0 64 -2,-0.5 2,-0.1 1,-0.1 -2,-0.0 -0.671 54.2 -49.8-130.5-164.8 54.6 16.1 21.8 87 88 A Y 0 0 241 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.457 360.0 360.0 -68.0 144.7 56.3 14.4 24.7 88 89 A S 0 0 175 -2,-0.1 -1,-0.1 -3,-0.1 0, 0.0 0.848 360.0 360.0 -72.1 360.0 58.4 11.4 23.8