==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-OCT-04 1XRG . COMPND 2 MOLECULE: PUTATIVE TRANSLATION INITIATION INHIBITOR, YJGF . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR M.ZHAO,J.CHANG,J.HABEL,I.KATAEVA,H.XU,L.CHEN,D.LEE,J.NGUYEN, . 400 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 23.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 5 1.2 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 . 28 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 1 1 0 1 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 3 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 . 9 0 5 6 0 0 3 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 0 0 0 1 1 1 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 0 110 0, 0.0 2,-0.4 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0-174.2 55.6 22.1 -29.2 2 3 A I - 0 0 43 21,-0.1 2,-0.4 19,-0.0 21,-0.2 -0.995 360.0-173.8-132.2 129.0 57.6 19.0 -28.1 3 4 A E E -A 22 0A 115 19,-2.3 19,-2.9 -2,-0.4 2,-0.5 -0.996 14.9-142.5-127.4 139.4 61.1 18.6 -26.8 4 5 A V E -A 21 0A 45 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.839 9.2-140.3-101.2 125.2 63.0 15.4 -26.0 5 6 A V E +A 20 0A 10 15,-2.4 14,-0.6 -2,-0.5 15,-0.5 -0.738 25.0 171.7 -82.3 131.3 65.4 15.0 -23.1 6 7 A K + 0 0 151 -2,-0.4 2,-0.4 58,-0.1 6,-0.1 -0.534 13.2 166.6-140.4 67.1 68.5 13.0 -24.0 7 8 A T > - 0 0 25 4,-0.1 3,-1.3 1,-0.1 -2,-0.0 -0.709 38.2-148.9 -97.4 137.8 71.0 13.2 -21.2 8 9 A N T 3 S+ 0 0 147 -2,-0.4 4,-0.1 1,-0.2 -1,-0.1 0.444 93.1 74.9 -80.4 1.3 74.1 11.1 -20.6 9 10 A K T 3 S+ 0 0 117 51,-0.1 -1,-0.2 2,-0.1 51,-0.2 0.460 100.2 43.2 -87.5 -5.5 73.6 11.4 -16.8 10 11 A A S < S- 0 0 4 -3,-1.3 3,-0.1 50,-0.1 26,-0.1 -0.895 110.5 -69.9-133.1 162.6 70.7 9.0 -16.8 11 12 A P - 0 0 26 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.268 59.0-104.6 -59.6 140.4 70.3 5.6 -18.7 12 13 A E - 0 0 150 25,-0.2 2,-1.1 1,-0.1 -6,-0.1 -0.326 29.9-115.0 -64.0 142.6 69.9 6.0 -22.4 13 14 A A - 0 0 27 -3,-0.1 2,-0.6 4,-0.0 -1,-0.1 -0.700 37.3-175.0 -80.0 99.5 66.4 5.5 -23.8 14 15 A I + 0 0 121 -2,-1.1 4,-0.0 2,-0.1 0, 0.0 -0.885 53.7 13.9 -97.8 120.4 66.8 2.3 -25.9 15 16 A G S S- 0 0 39 -2,-0.6 2,-1.9 2,-0.1 362,-0.1 -0.622 118.1 -25.8 109.9-171.3 63.6 1.6 -27.9 16 17 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.331 108.3 74.4 -83.2 58.9 60.4 3.6 -28.6 17 18 A Y - 0 0 60 -2,-1.9 2,-0.3 360,-0.1 362,-0.2 -0.969 64.6-131.0-151.6 172.0 60.4 6.0 -25.6 18 19 A S - 0 0 7 360,-1.3 362,-0.5 -2,-0.3 3,-0.1 -0.945 25.0-121.5-123.5 148.7 62.2 9.1 -24.3 19 20 A Q S S- 0 0 9 -14,-0.6 11,-2.6 -2,-0.3 2,-0.3 0.868 94.1 -21.9 -48.2 -45.6 63.7 9.9 -20.9 20 21 A A E -AB 5 29A 0 -15,-0.5 -15,-2.4 9,-0.3 2,-0.4 -0.957 57.9-138.5-163.2 155.3 61.3 12.9 -20.7 21 22 A I E -AB 4 28A 1 7,-2.3 7,-2.9 -2,-0.3 2,-0.5 -0.983 11.6-154.5-120.2 136.3 59.2 15.1 -22.9 22 23 A V E +AB 3 27A 4 -19,-2.9 -19,-2.3 -2,-0.4 2,-0.4 -0.941 16.2 173.2-106.4 125.8 58.9 18.9 -22.4 23 24 A T E > - B 0 26A 10 3,-2.7 3,-1.8 -2,-0.5 2,-0.2 -0.910 63.1 -50.1-137.4 107.7 55.8 20.6 -23.7 24 25 A G T 3 S- 0 0 61 -2,-0.4 -21,-0.0 1,-0.3 -22,-0.0 -0.475 123.7 -17.3 66.3-124.6 55.3 24.2 -22.8 25 26 A S T 3 S+ 0 0 39 -2,-0.2 100,-2.4 -3,-0.1 2,-0.4 0.376 121.2 90.9 -93.4 8.8 55.8 24.6 -19.1 26 27 A F E < -BC 23 124A 12 -3,-1.8 -3,-2.7 98,-0.2 2,-0.5 -0.828 54.1-161.9-114.1 141.9 55.4 20.8 -18.3 27 28 A V E -BC 22 123A 0 96,-2.6 96,-2.6 -2,-0.4 2,-0.6 -0.985 2.6-166.5-121.5 122.3 57.8 18.0 -18.1 28 29 A Y E -BC 21 122A 6 -7,-2.9 -7,-2.3 -2,-0.5 2,-0.2 -0.946 12.6-161.2-105.3 111.0 56.7 14.3 -18.3 29 30 A T E -B 20 0A 0 92,-2.4 -9,-0.3 -2,-0.6 2,-0.1 -0.578 20.0-115.0 -83.8 153.5 59.4 11.8 -17.3 30 31 A S - 0 0 3 -11,-2.6 2,-0.8 -2,-0.2 351,-0.3 -0.436 51.2 -81.2 -65.5 159.4 59.4 8.2 -18.1 31 32 A G - 0 0 13 349,-2.2 89,-0.3 89,-0.1 2,-0.2 -0.614 56.0-137.7 -65.6 108.0 59.1 5.8 -15.2 32 33 A Q B -D 119 0A 13 87,-2.8 87,-2.0 -2,-0.8 22,-0.1 -0.478 19.1-162.8 -77.0 141.5 62.6 5.8 -13.9 33 34 A I - 0 0 32 85,-0.2 2,-2.4 -2,-0.2 85,-0.1 -0.826 35.6 -96.9-124.4 155.0 64.2 2.5 -12.8 34 35 A P + 0 0 0 0, 0.0 9,-2.0 0, 0.0 2,-0.4 -0.227 69.2 142.5 -71.8 49.7 67.3 1.8 -10.7 35 36 A I B -H 42 0B 7 -2,-2.4 7,-0.2 7,-0.2 -2,-0.1 -0.782 53.3-128.1 -88.9 131.6 69.7 1.3 -13.6 36 37 A N >> - 0 0 44 5,-3.1 4,-3.0 -2,-0.4 3,-0.6 -0.721 12.7-150.0 -72.5 118.9 73.2 2.7 -13.2 37 38 A P T 34 S+ 0 0 35 0, 0.0 -25,-0.2 0, 0.0 -1,-0.2 0.850 94.4 55.9 -63.7 -28.5 73.8 4.9 -16.2 38 39 A Q T 34 S+ 0 0 154 1,-0.2 -28,-0.0 -29,-0.1 -2,-0.0 0.754 123.7 21.5 -73.5 -29.4 77.6 4.1 -16.1 39 40 A T T <4 S- 0 0 88 -3,-0.6 -1,-0.2 2,-0.2 3,-0.1 0.644 90.4-132.6-108.9 -20.2 77.1 0.3 -16.2 40 41 A G S < S+ 0 0 32 -4,-3.0 2,-0.3 1,-0.3 -2,-0.0 0.568 72.9 113.9 70.6 10.6 73.6 -0.2 -17.8 41 42 A E S S- 0 0 130 -5,-0.4 -5,-3.1 1,-0.1 -1,-0.3 -0.763 80.5 -93.9-109.5 156.7 73.0 -2.7 -14.9 42 43 A V B -H 35 0B 47 -2,-0.3 -7,-0.2 -7,-0.2 2,-0.1 -0.433 53.0-107.1 -59.8 138.8 70.7 -2.6 -12.0 43 44 A V - 0 0 25 -9,-2.0 -1,-0.1 1,-0.1 7,-0.1 -0.403 39.2-100.3 -68.5 152.3 72.6 -1.2 -9.0 44 45 A D S S+ 0 0 153 -2,-0.1 2,-0.2 5,-0.1 -1,-0.1 -0.346 79.6 39.8 -72.5 154.5 73.6 -3.7 -6.3 45 46 A G S S- 0 0 56 4,-0.1 2,-0.1 -2,-0.1 0, 0.0 -0.660 82.6 -68.3 110.2-165.4 71.6 -4.0 -3.0 46 47 A G S > S- 0 0 30 -2,-0.2 4,-2.0 70,-0.0 5,-0.2 -0.007 75.3 -45.1-110.9-145.5 68.0 -4.0 -2.0 47 48 A I H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.842 129.0 54.1 -65.4 -36.5 65.2 -1.5 -1.9 48 49 A E H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 112.2 43.5 -63.4 -46.3 67.2 1.4 -0.3 49 50 A E H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.841 115.7 47.9 -69.5 -36.7 69.9 1.3 -3.0 50 51 A Q H X S+ 0 0 15 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.919 109.2 53.1 -73.1 -40.6 67.4 1.0 -5.8 51 52 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.897 109.5 50.2 -58.2 -45.7 65.2 3.8 -4.5 52 53 A K H X S+ 0 0 127 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.939 110.6 48.1 -53.9 -53.6 68.3 6.1 -4.4 53 54 A Q H X S+ 0 0 33 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.892 110.6 51.7 -60.5 -41.1 69.3 5.2 -8.0 54 55 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.913 112.4 45.8 -58.3 -46.2 65.7 5.8 -9.3 55 56 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.855 111.6 51.6 -71.8 -32.5 65.7 9.2 -7.6 56 57 A E H X S+ 0 0 57 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.921 112.4 46.7 -65.2 -45.0 69.2 10.1 -8.9 57 58 A N H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.945 113.4 48.9 -60.5 -45.4 68.0 9.2 -12.4 58 59 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.949 110.2 51.2 -58.1 -51.4 64.8 11.2 -11.9 59 60 A K H X S+ 0 0 69 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.907 112.7 45.5 -49.0 -50.0 66.8 14.2 -10.7 60 61 A N H X S+ 0 0 24 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.843 112.7 49.7 -69.6 -36.6 69.2 14.1 -13.7 61 62 A V H X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.962 113.7 46.3 -61.7 -50.5 66.3 13.7 -16.2 62 63 A L H <>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 3,-0.2 0.885 113.2 48.8 -62.8 -42.4 64.4 16.6 -14.6 63 64 A E H ><5S+ 0 0 94 -4,-2.6 3,-2.0 -5,-0.2 -1,-0.2 0.924 107.5 53.8 -67.9 -39.8 67.5 18.9 -14.5 64 65 A A H 3<5S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.763 104.5 58.3 -62.3 -26.0 68.4 18.2 -18.1 65 66 A A T 3<5S- 0 0 5 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.520 124.6-105.6 -74.9 -8.9 64.9 19.2 -19.0 66 67 A G T < 5S+ 0 0 41 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.637 94.7 96.1 85.5 14.2 65.5 22.6 -17.4 67 68 A S < - 0 0 7 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.250 56.9-155.4-111.7-157.0 63.4 21.5 -14.4 68 69 A S > - 0 0 18 56,-0.4 3,-1.9 -2,-0.1 56,-0.2 -0.959 37.4 -88.5-171.2 169.3 64.3 20.0 -11.0 69 70 A L G > S+ 0 0 17 -2,-0.3 3,-1.3 1,-0.3 28,-0.2 0.847 122.0 59.5 -52.9 -38.2 63.1 17.9 -8.1 70 71 A N G 3 S+ 0 0 77 1,-0.2 -1,-0.3 26,-0.1 26,-0.1 0.483 102.4 53.7 -76.3 1.2 61.7 21.1 -6.4 71 72 A K G < S+ 0 0 49 -3,-1.9 53,-2.1 53,-0.1 2,-0.3 0.287 78.4 120.8-115.7 9.0 59.4 21.7 -9.4 72 73 A V E < +E 123 0A 1 -3,-1.3 51,-0.3 51,-0.3 3,-0.1 -0.567 33.8 177.3 -70.5 126.7 57.8 18.3 -9.4 73 74 A V E + 0 0 0 49,-2.3 29,-2.6 -2,-0.3 2,-0.3 0.719 64.7 17.5-101.5 -29.0 54.0 18.5 -8.9 74 75 A K E -Ef 122 102A 14 48,-1.9 48,-3.0 27,-0.3 2,-0.3 -0.990 59.1-178.7-150.7 134.7 53.0 14.8 -9.1 75 76 A T E -Ef 121 103A 0 27,-2.1 29,-1.4 -2,-0.3 2,-0.4 -0.928 15.0-151.9-126.3 155.4 54.7 11.4 -8.9 76 77 A T E -Ef 120 104A 2 44,-2.0 44,-1.9 -2,-0.3 2,-0.6 -0.993 11.8-161.0-123.8 127.1 53.7 7.8 -9.1 77 78 A V E -Ef 119 105A 0 27,-3.0 29,-1.8 -2,-0.4 2,-0.5 -0.916 4.4-169.0-108.9 113.6 55.7 5.3 -7.2 78 79 A F E -Ef 118 106A 4 40,-3.2 40,-2.1 -2,-0.6 2,-0.4 -0.921 13.3-176.0-101.8 123.8 55.3 1.7 -8.4 79 80 A I E -Ef 117 107A 1 27,-2.5 29,-2.5 -2,-0.5 38,-0.2 -0.935 33.6-143.5-125.9 150.8 56.8 -0.8 -6.0 80 81 A K S S+ 0 0 79 36,-2.3 2,-0.4 -2,-0.4 37,-0.1 0.773 95.6 29.2 -76.1 -29.4 57.2 -4.5 -6.0 81 82 A D > - 0 0 70 35,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.894 58.5-162.6-140.6 109.6 56.5 -4.9 -2.2 82 83 A X G > S+ 0 0 21 -2,-0.4 3,-1.8 1,-0.3 4,-0.2 0.755 88.6 73.2 -59.2 -27.5 54.3 -2.5 -0.2 83 84 A D G 3 S+ 0 0 150 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.729 93.2 54.8 -59.4 -24.5 55.9 -3.9 3.0 84 85 A S G <> S+ 0 0 18 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.224 75.3 111.3 -92.3 17.0 59.1 -1.9 2.2 85 86 A F H <> S+ 0 0 56 -3,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.905 71.1 55.0 -54.2 -47.3 57.1 1.4 1.8 86 87 A A H > S+ 0 0 79 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.896 108.6 49.4 -61.0 -37.6 58.6 3.0 4.9 87 88 A K H > S+ 0 0 130 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 111.2 49.2 -63.6 -43.7 62.1 2.5 3.5 88 89 A V H X S+ 0 0 3 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.935 110.3 52.0 -59.3 -45.1 61.1 4.0 0.2 89 90 A N H X S+ 0 0 24 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.816 105.5 53.8 -60.8 -40.3 59.6 6.9 2.0 90 91 A E H X S+ 0 0 108 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.887 114.4 40.5 -63.0 -46.9 62.7 7.6 4.0 91 92 A V H >< S+ 0 0 4 -4,-1.9 3,-1.1 2,-0.2 4,-0.4 0.942 115.3 53.7 -62.5 -46.8 64.9 7.8 0.8 92 93 A Y H >< S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.3 4,-0.5 0.858 100.9 59.3 -57.7 -42.6 62.1 9.7 -1.0 93 94 A A H >< S+ 0 0 40 -4,-2.6 3,-0.6 1,-0.3 -1,-0.3 0.757 96.3 62.2 -62.6 -26.8 61.8 12.4 1.7 94 95 A K T << S+ 0 0 138 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.713 104.8 48.7 -64.4 -23.3 65.5 13.3 1.1 95 96 A Y T < S+ 0 0 37 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.2 0.509 107.1 54.0-101.9 -8.3 64.8 14.3 -2.5 96 97 A F < - 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