==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-FEB-10 3LPE . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTION ANTITERMINATION PROTEIN NU . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR A.HIRTREITER,G.E.DAMSMA,A.C.M.CHEUNG,D.KLOSE,D.GROHMANN,E.VO . 572 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 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 . 156 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 41 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 0 0 8 0 0 0 0 0 3 1 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 . 8 12 8 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 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 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 A 0 0 84 0, 0.0 123,-0.1 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0-176.1 6.8 -21.4 33.1 2 0 A H + 0 0 88 1,-0.2 48,-0.1 47,-0.1 73,-0.1 0.243 360.0 73.1-142.1 -89.4 7.6 -17.9 31.9 3 1 A M + 0 0 58 47,-0.3 46,-2.3 46,-0.2 2,-0.4 -0.136 34.1 165.6 -72.9 130.5 5.8 -14.7 31.0 4 2 A I E -A 48 0A 0 44,-0.2 69,-2.3 69,-0.2 2,-0.3 -0.999 13.8-167.9-130.2 135.9 4.0 -12.4 33.3 5 3 A F E -A 47 0A 8 42,-2.8 42,-3.2 -2,-0.4 2,-0.5 -0.929 20.4-130.3-124.6 147.4 2.8 -8.9 32.3 6 4 A A E -A 46 0A 8 65,-0.4 63,-3.0 -2,-0.3 2,-0.5 -0.866 21.8-160.6 -93.0 124.4 1.6 -5.9 34.2 7 5 A V E -AB 45 68A 0 38,-3.4 38,-2.4 -2,-0.5 2,-0.4 -0.934 15.9-132.9-104.8 124.8 -1.6 -4.5 32.7 8 6 A R E +AB 44 67A 133 59,-2.7 58,-2.3 -2,-0.5 59,-1.0 -0.626 33.6 169.2 -81.7 133.4 -2.4 -0.9 33.7 9 7 A T E - B 0 65A 6 34,-3.3 56,-0.2 -2,-0.4 2,-0.2 -0.801 42.6 -74.5-129.1 175.6 -5.9 -0.2 34.9 10 8 A M > - 0 0 109 54,-1.7 3,-2.1 -2,-0.3 33,-0.3 -0.484 62.0 -96.8 -65.7 140.6 -7.9 2.6 36.5 11 9 A V T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.2 31,-0.1 -0.388 111.1 20.1 -62.3 130.0 -7.2 2.8 40.2 12 10 A G T 3 S+ 0 0 51 -2,-0.1 -1,-0.3 -3,-0.1 4,-0.2 0.280 105.5 85.2 93.1 -11.3 -9.8 0.9 42.2 13 11 A Q <> + 0 0 42 -3,-2.1 4,-2.7 1,-0.1 5,-0.2 0.205 55.3 108.2-101.8 13.8 -10.9 -1.2 39.2 14 12 A E H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.946 81.8 38.6 -62.6 -54.3 -8.2 -3.9 39.7 15 13 A K H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 115.0 55.4 -63.4 -40.7 -10.3 -6.7 41.0 16 14 A N H > S+ 0 0 92 -4,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.938 111.1 44.2 -56.0 -47.5 -13.2 -5.8 38.6 17 15 A I H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.886 108.2 56.8 -69.3 -37.6 -10.8 -6.1 35.7 18 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.898 108.5 50.4 -56.2 -41.6 -9.2 -9.3 36.9 19 17 A G H X S+ 0 0 20 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.914 111.0 45.7 -63.2 -48.4 -12.8 -10.8 36.9 20 18 A L H X S+ 0 0 93 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.869 112.3 53.8 -60.1 -39.2 -13.6 -9.6 33.4 21 19 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.929 106.5 50.0 -63.0 -46.6 -10.2 -10.9 32.3 22 20 A A H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.930 111.9 48.8 -62.2 -43.7 -10.8 -14.4 33.7 23 21 A S H X S+ 0 0 58 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.934 114.1 45.5 -58.6 -47.4 -14.1 -14.7 32.0 24 22 A R H X S+ 0 0 63 -4,-2.4 4,-2.7 1,-0.2 6,-0.2 0.864 109.4 55.4 -66.8 -36.6 -12.7 -13.5 28.7 25 23 A A H <>S+ 0 0 3 -4,-2.8 5,-2.0 2,-0.2 4,-0.5 0.934 113.3 41.4 -61.5 -45.3 -9.7 -15.9 29.0 26 24 A E H ><5S+ 0 0 95 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.949 117.0 47.3 -67.8 -49.8 -12.0 -18.9 29.4 27 25 A K H 3<5S+ 0 0 145 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 120.2 37.6 -58.6 -43.9 -14.5 -17.9 26.8 28 26 A E T 3<5S- 0 0 102 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.399 105.8-126.6 -91.4 1.7 -11.8 -17.0 24.1 29 27 A Q T < 5 + 0 0 174 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.2 0.904 45.9 171.9 53.5 47.0 -9.6 -20.0 25.2 30 28 A L < - 0 0 27 -5,-2.0 2,-2.2 -6,-0.2 -1,-0.2 -0.575 45.9-111.0 -84.0 151.3 -6.5 -17.8 25.6 31 29 A D + 0 0 73 -2,-0.2 19,-2.2 20,-0.0 2,-0.5 -0.412 68.4 138.6 -81.1 64.4 -3.3 -19.1 27.2 32 30 A V E +C 49 0A 2 -2,-2.2 17,-0.3 17,-0.2 3,-0.1 -0.953 27.3 179.4-110.1 126.9 -3.8 -17.1 30.3 33 31 A Y E - 0 0 8 15,-3.0 87,-2.1 -2,-0.5 86,-2.0 0.768 58.9 -2.8-105.2 -31.4 -2.9 -19.0 33.5 34 32 A S E -CD 48 118A 0 14,-1.2 14,-2.5 84,-0.2 2,-0.4 -0.984 49.9-152.8-159.1 160.8 -3.4 -16.6 36.4 35 33 A I E -CD 47 117A 0 82,-2.0 82,-3.1 -2,-0.3 2,-0.5 -0.998 14.8-163.2-138.9 130.0 -4.4 -13.0 37.2 36 34 A L E -CD 46 116A 1 10,-2.9 10,-2.9 -2,-0.4 2,-0.5 -0.972 11.5-177.7-127.9 124.9 -3.2 -11.3 40.3 37 35 A A E - D 0 115A 2 78,-3.4 78,-2.4 -2,-0.5 2,-0.4 -0.933 14.2-170.3-121.2 103.6 -4.6 -8.1 41.8 38 36 A S > - 0 0 10 -2,-0.5 3,-1.9 6,-0.3 6,-0.2 -0.785 26.4-139.9 -97.6 137.8 -2.7 -7.0 44.9 39 37 A E T 3 S+ 0 0 91 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.722 106.1 60.1 -63.7 -21.7 -3.9 -4.2 47.2 40 38 A S T 3 S+ 0 0 87 1,-0.2 -1,-0.3 41,-0.1 2,-0.2 0.384 101.2 58.5 -90.7 7.6 -0.3 -3.1 47.4 41 39 A L S X S- 0 0 53 -3,-1.9 3,-1.1 3,-0.1 -3,-0.2 -0.588 75.4-172.6-134.7 73.0 -0.3 -2.5 43.7 42 40 A K T 3 + 0 0 146 -3,-0.3 -31,-0.1 1,-0.2 3,-0.1 -0.418 67.8 21.2 -74.3 140.6 -3.0 -0.0 42.8 43 41 A G T 3 S+ 0 0 3 -33,-0.3 -34,-3.3 1,-0.2 2,-0.3 0.517 109.4 84.7 84.6 7.5 -3.8 0.6 39.1 44 42 A Y E < -A 8 0A 69 -3,-1.1 2,-0.4 -36,-0.3 -6,-0.3 -0.995 51.9-164.4-142.8 147.3 -2.3 -2.6 37.8 45 43 A V E -A 7 0A 0 -38,-2.4 -38,-3.4 -2,-0.3 2,-0.5 -0.987 22.0-136.4-125.7 138.0 -3.2 -6.2 37.4 46 44 A L E -AC 6 36A 8 -10,-2.9 -10,-2.9 -2,-0.4 2,-0.5 -0.849 18.4-164.6 -98.6 132.4 -0.6 -8.9 36.8 47 45 A V E -AC 5 35A 0 -42,-3.2 -42,-2.8 -2,-0.5 2,-0.6 -0.967 9.2-155.3-125.1 117.6 -1.3 -11.5 34.0 48 46 A E E +AC 4 34A 2 -14,-2.5 -15,-3.0 -2,-0.5 -14,-1.2 -0.830 34.5 151.9 -90.5 120.5 0.6 -14.7 33.7 49 47 A A E - C 0 32A 1 -46,-2.3 -17,-0.2 -2,-0.6 -46,-0.2 -0.946 55.8-115.2-147.7 163.7 0.3 -15.9 30.0 50 48 A E S S+ 0 0 61 -19,-2.2 -47,-0.3 -2,-0.3 2,-0.3 0.891 97.3 6.9 -70.3 -40.7 2.2 -17.9 27.4 51 49 A T S >> S- 0 0 58 -20,-0.3 4,-1.0 1,-0.1 3,-0.5 -0.936 70.1-115.1-139.3 162.6 2.8 -14.9 25.1 52 50 A K H 3> S+ 0 0 81 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 0.869 115.1 64.6 -64.5 -34.4 2.3 -11.2 25.1 53 51 A G H 3> S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.839 95.4 57.3 -56.9 -35.9 -0.2 -11.7 22.3 54 52 A D H <> S+ 0 0 22 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.913 109.0 45.6 -59.6 -42.6 -2.4 -13.6 24.7 55 53 A V H X S+ 0 0 0 -4,-1.0 4,-2.1 -3,-0.4 -2,-0.2 0.874 110.3 53.8 -70.6 -37.0 -2.5 -10.5 26.9 56 54 A E H X S+ 0 0 96 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.921 113.0 43.1 -61.5 -44.6 -3.1 -8.2 24.0 57 55 A E H < S+ 0 0 69 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.871 110.6 58.0 -68.8 -36.3 -6.1 -10.3 22.9 58 56 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.918 115.2 33.8 -58.6 -44.5 -7.2 -10.5 26.6 59 57 A I H >< S+ 0 0 19 -4,-2.1 3,-2.5 -5,-0.1 -1,-0.2 0.499 83.7 135.0 -95.5 -3.1 -7.4 -6.7 27.0 60 58 A K T 3< S- 0 0 137 -4,-0.7 -3,-0.1 -3,-0.3 -4,-0.0 -0.262 88.2 -11.1 -53.0 113.8 -8.6 -5.9 23.5 61 59 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.535 94.4 149.9 73.6 6.0 -11.4 -3.4 23.8 62 60 A M X - 0 0 23 -3,-2.5 3,-1.1 1,-0.1 -1,-0.2 -0.584 47.0-120.6 -72.0 126.1 -11.7 -3.9 27.5 63 61 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.272 89.7 21.0 -64.5 150.2 -13.0 -0.8 29.3 64 62 A R T 3 S+ 0 0 144 1,-0.2 -54,-1.7 -55,-0.1 2,-0.5 0.558 92.2 118.3 72.0 12.6 -10.9 0.9 32.0 65 63 A V E < -B 9 0A 29 -3,-1.1 -56,-0.2 -56,-0.2 -1,-0.2 -0.937 42.4-171.7-107.8 130.9 -7.7 -0.7 30.8 66 64 A R E - 0 0 184 -58,-2.3 2,-0.3 -2,-0.5 -57,-0.1 0.754 50.7 -86.4 -93.6 -29.3 -4.9 1.7 29.6 67 65 A G E -B 8 0A 21 -59,-1.0 -59,-2.7 2,-0.0 2,-0.4 -0.957 50.5 -51.2 153.5-166.3 -2.5 -0.9 28.2 68 66 A I E -B 7 0A 32 -2,-0.3 -61,-0.2 -61,-0.2 3,-0.1 -0.877 44.6-122.4-110.6 131.5 0.5 -3.2 29.0 69 67 A V - 0 0 47 -63,-3.0 -63,-0.3 -2,-0.4 2,-0.1 -0.526 42.0-103.0 -64.7 136.4 3.6 -2.2 30.8 70 68 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -64,-0.0 -0.382 83.2 18.5 -66.9 138.9 6.7 -2.9 28.6 71 69 A G S S- 0 0 46 -2,-0.1 -65,-0.4 -3,-0.1 2,-0.1 0.251 90.0 -75.6 87.3 153.7 8.7 -6.0 29.5 72 70 A T - 0 0 85 -67,-0.1 2,-0.5 1,-0.0 -67,-0.2 -0.321 39.2-122.6 -77.5 165.2 7.9 -9.1 31.5 73 71 A I - 0 0 31 -69,-2.3 -69,-0.2 -2,-0.1 2,-0.1 -0.956 25.6-125.5-108.9 127.2 7.8 -9.3 35.3 74 72 A A >> - 0 0 39 -2,-0.5 3,-1.5 1,-0.1 4,-0.7 -0.416 18.1-121.3 -70.9 145.6 10.1 -11.8 37.0 75 73 A I H >> S+ 0 0 15 1,-0.3 4,-1.9 2,-0.2 3,-1.1 0.854 111.1 61.9 -57.1 -35.7 8.5 -14.3 39.4 76 74 A E H 34 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.787 98.8 55.2 -61.5 -28.6 10.8 -13.0 42.2 77 75 A E H <4 S+ 0 0 138 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.675 111.6 46.1 -77.7 -14.9 9.2 -9.5 42.0 78 76 A I H XX S+ 0 0 0 -3,-1.1 3,-1.9 -4,-0.7 4,-0.6 0.803 91.7 77.6 -94.5 -35.6 5.8 -11.1 42.4 79 77 A E H >X S+ 0 0 69 -4,-1.9 3,-1.5 1,-0.3 4,-0.7 0.823 88.4 57.4 -48.3 -44.1 6.4 -13.5 45.4 80 78 A P H 34 S+ 0 0 90 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.799 101.2 59.7 -61.1 -25.7 6.3 -10.7 48.1 81 79 A L H <4 S+ 0 0 28 -3,-1.9 -2,-0.2 1,-0.2 -42,-0.1 0.735 92.4 69.1 -69.7 -21.7 2.8 -9.9 46.8 82 80 A L H << S+ 0 0 14 -3,-1.5 -1,-0.2 -4,-0.6 -3,-0.1 0.827 104.0 39.4 -70.8 -35.1 1.7 -13.4 47.6 83 81 A T < 0 0 114 -4,-0.7 -1,-0.3 -3,-0.4 58,-0.1 -0.796 360.0 360.0-114.9 88.5 1.9 -12.9 51.3 84 82 A P 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.921 360.0 360.0 -44.0 360.0 0.6 -9.4 51.9 85 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 86 1 B M 0 0 92 0, 0.0 2,-0.2 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 137.8 -18.0 -12.8 48.9 87 2 B R E -G 96 0B 63 9,-2.7 9,-2.6 11,-0.1 2,-0.4 -0.708 360.0-139.7-120.6 166.8 -16.1 -14.7 51.5 88 3 B A E -GH 95 109B 0 21,-2.4 21,-2.5 7,-0.2 7,-0.2 -0.992 28.8-103.1-131.8 138.9 -12.7 -16.4 51.6 89 4 B C E > - 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