==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-DEC-09 3L0O . COMPND 2 MOLECULE: TRANSCRIPTION TERMINATION FACTOR RHO; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.CANALS,I.USON,M.COLL . 760 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 9.2 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 4 1 3 1 3 2 2 3 1 1 1 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 3 0 7 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 . 5 7 3 2 0 1 1 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 . 1 0 0 1 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 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 4 A E > 0 0 18 0, 0.0 3,-0.5 0, 0.0 223,-0.1 0.000 360.0 360.0 360.0 -6.0 56.6 16.9 9.4 2 5 A Q T 3 + 0 0 63 1,-0.3 4,-0.4 2,-0.2 3,-0.1 0.684 360.0 32.3 -34.1 -85.5 55.4 19.4 12.0 3 6 A K T 3 S+ 0 0 140 2,-0.4 -1,-0.3 1,-0.1 4,-0.2 -0.482 107.9 110.4 137.2 -68.0 57.5 19.5 13.9 4 7 A T S < S+ 0 0 28 -3,-0.5 -2,-0.2 2,-0.3 2,-0.2 -0.417 74.8 20.4-171.3 -74.0 59.1 19.1 11.7 5 8 A I S > S+ 0 0 21 -3,-0.1 2,-4.8 120,-0.0 3,-1.9 0.422 94.6 96.4 46.6-143.4 60.9 21.1 10.6 6 9 A S T 3> S+ 0 0 18 -4,-0.4 4,-1.8 1,-0.3 -2,-0.3 0.002 101.4 40.6 19.7 -56.5 60.9 23.0 13.8 7 10 A I H 3> S+ 0 0 36 -2,-4.8 4,-2.6 1,-0.2 -1,-0.3 0.930 114.5 56.4 -58.8 -43.3 64.1 21.0 14.2 8 11 A S H <> S+ 0 0 64 -3,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.869 103.9 48.8 -56.2 -47.1 64.6 21.9 10.6 9 12 A E H > S+ 0 0 3 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.923 113.9 46.8 -61.7 -47.7 64.3 25.7 11.1 10 13 A L H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.882 107.5 57.8 -62.6 -39.8 66.8 25.6 14.0 11 14 A E H 3< S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.870 104.3 52.0 -57.5 -40.4 69.2 23.4 12.0 12 15 A S H 3< S+ 0 0 76 -4,-1.5 -1,-0.3 -5,-0.2 2,-0.2 0.638 89.2 99.8 -77.1 -13.3 69.4 25.9 9.2 13 16 A M S << S- 0 0 4 -3,-1.0 113,-0.0 -4,-0.6 -3,-0.0 -0.533 78.8-117.2 -76.8 137.3 70.3 28.8 11.5 14 17 A N > - 0 0 98 -2,-0.2 4,-2.0 1,-0.1 3,-0.4 -0.304 33.6-104.6 -61.5 157.8 73.9 29.8 11.8 15 18 A I H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.828 116.3 61.6 -57.9 -39.7 75.3 29.4 15.3 16 19 A K H > S+ 0 0 175 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 109.3 42.5 -55.2 -49.2 75.3 33.1 16.2 17 20 A Q H > S+ 0 0 25 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.935 112.8 50.9 -64.2 -49.1 71.5 33.1 15.8 18 21 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.860 111.0 52.5 -55.4 -36.0 70.9 29.8 17.6 19 22 A Y H X S+ 0 0 68 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.895 104.5 53.1 -67.5 -43.1 73.1 31.2 20.4 20 23 A E H X S+ 0 0 73 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.951 112.3 46.5 -57.9 -45.8 71.1 34.4 20.7 21 24 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.921 110.5 51.1 -60.5 -48.0 67.9 32.3 21.0 22 25 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.5 0.888 111.8 48.3 -61.5 -38.0 69.4 30.0 23.6 23 26 A K H ><5S+ 0 0 149 -4,-2.5 3,-3.4 2,-0.2 -2,-0.2 0.994 109.0 52.0 -62.1 -61.1 70.6 32.9 25.7 24 27 A S H 3<5S+ 0 0 50 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.840 112.0 48.3 -39.0 -40.6 67.1 34.6 25.5 25 28 A L T 3<5S- 0 0 4 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.607 110.4-126.2 -82.7 -7.9 65.7 31.3 26.7 26 29 A G T < 5 + 0 0 56 -3,-3.4 -3,-0.2 -4,-0.5 -2,-0.1 0.920 38.4 179.2 60.1 44.7 68.2 31.1 29.5 27 30 A I > < - 0 0 23 -5,-2.4 3,-1.1 1,-0.1 2,-0.7 -0.687 33.4-118.5 -72.2 125.6 69.5 27.6 28.6 28 31 A P T 3 S- 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.571 86.6 -7.4 -72.2 110.2 72.2 26.8 31.1 29 32 A R T >> S+ 0 0 188 -2,-0.7 3,-2.6 3,-0.0 4,-0.6 0.715 71.9 166.2 87.9 27.1 75.5 26.2 29.3 30 33 A Y G X4 + 0 0 53 -3,-1.1 3,-0.8 1,-0.3 8,-0.1 0.742 69.3 62.4 -51.0 -28.8 74.4 26.3 25.8 31 34 A T G 34 S+ 0 0 94 1,-0.2 -1,-0.3 -12,-0.0 4,-0.1 0.742 101.0 52.9 -66.7 -22.1 78.0 26.7 24.4 32 35 A S G <4 S+ 0 0 80 -3,-2.6 -1,-0.2 2,-0.1 2,-0.2 0.590 92.4 100.1 -89.6 -10.9 79.0 23.3 25.8 33 36 A M S << S- 0 0 50 -3,-0.8 2,-0.3 -4,-0.6 -4,-0.0 -0.481 80.1-113.9 -83.5 142.2 76.1 21.6 24.2 34 37 A R > - 0 0 165 -2,-0.2 4,-2.6 1,-0.1 3,-0.5 -0.565 38.0-115.4 -64.3 134.0 76.2 19.6 21.0 35 38 A K H > S+ 0 0 70 1,-0.3 4,-2.7 -2,-0.3 5,-0.2 0.843 114.7 49.9 -42.7 -56.2 74.1 21.5 18.5 36 39 A R H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.926 112.7 49.8 -53.8 -46.7 71.4 18.8 18.1 37 40 A D H > S+ 0 0 82 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.916 108.4 52.5 -52.9 -50.3 71.2 18.7 21.9 38 41 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.926 108.0 52.1 -55.6 -44.0 71.0 22.5 22.1 39 42 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.896 107.8 50.8 -61.5 -41.6 68.1 22.4 19.6 40 43 A F H X S+ 0 0 112 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.958 110.9 48.6 -62.3 -43.4 66.2 19.9 21.6 41 44 A A H X S+ 0 0 25 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.902 108.4 54.8 -59.9 -42.3 66.6 22.1 24.7 42 45 A I H < S+ 0 0 0 -4,-2.6 12,-0.5 1,-0.2 3,-0.4 0.918 112.4 42.5 -58.0 -44.7 65.4 25.1 22.7 43 46 A L H >< S+ 0 0 41 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.877 108.8 59.7 -67.9 -34.4 62.2 23.3 21.7 44 47 A K H >< S+ 0 0 129 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.707 84.1 80.8 -70.8 -19.2 61.7 21.9 25.2 45 48 A A G >< S+ 0 0 2 -4,-1.1 3,-2.3 -3,-0.4 5,-0.5 0.863 77.6 70.8 -54.4 -40.2 61.6 25.3 26.8 46 49 A Q G < S+ 0 0 77 -3,-1.0 -1,-0.2 -4,-0.4 5,-0.2 0.899 104.6 39.2 -39.8 -52.2 57.9 25.7 25.8 47 50 A T G < S+ 0 0 112 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.010 106.8 73.2-100.5 25.2 56.8 23.1 28.3 48 51 A E S < S- 0 0 91 -3,-2.3 3,-0.2 0, 0.0 2,-0.2 -0.239 95.7 -87.6-114.0-151.0 59.1 24.0 31.2 49 52 A S S S+ 0 0 131 1,-0.1 -3,-0.1 -2,-0.1 -2,-0.1 -0.431 91.2 97.0-123.7 60.8 59.0 27.0 33.6 50 53 A T S S- 0 0 53 -5,-0.5 -1,-0.1 -2,-0.2 -4,-0.1 0.604 71.5-141.2-121.4 -20.5 60.9 29.7 31.9 51 54 A G S S+ 0 0 22 -6,-0.3 56,-2.6 -3,-0.2 2,-0.4 0.518 78.0 87.2 68.3 0.8 58.2 31.7 30.3 52 55 A Y E +A 106 0A 79 54,-0.2 2,-0.2 -27,-0.2 54,-0.2 -0.991 55.1 154.8-122.5 126.9 60.3 32.3 27.2 53 56 A F E -A 105 0A 2 52,-2.1 52,-2.1 -2,-0.4 2,-0.6 -0.712 44.9 -99.9-134.6-171.0 60.1 29.7 24.5 54 57 A F E +A 104 0A 7 -12,-0.5 2,-0.2 50,-0.2 50,-0.2 -0.960 53.6 151.8-118.6 119.1 60.6 29.2 20.8 55 58 A G E -A 103 0A 5 48,-3.0 48,-2.6 -2,-0.6 2,-0.3 -0.789 23.3-167.9-141.1 178.5 57.4 29.2 18.7 56 59 A E E +A 102 0A 26 -2,-0.2 2,-0.3 46,-0.2 46,-0.2 -0.975 12.1 153.4-158.4 165.4 55.7 30.0 15.5 57 60 A G E -A 101 0A 3 44,-1.3 44,-2.4 -2,-0.3 2,-0.5 -0.952 45.7 -73.5-177.3-168.9 52.5 30.3 13.8 58 61 A V E -AB 100 70A 1 12,-2.6 12,-3.0 -2,-0.3 42,-0.2 -0.895 44.1-116.4-116.4 125.0 50.8 32.0 10.9 59 62 A L E - B 0 69A 0 40,-2.5 39,-2.8 -2,-0.5 2,-0.5 -0.294 23.9-177.9 -60.8 123.5 50.0 35.7 10.7 60 63 A E E - B 0 68A 50 8,-2.6 8,-1.9 37,-0.2 2,-0.7 -0.998 20.0-152.3-107.1 118.2 46.5 37.0 10.4 61 64 A I E - B 0 67A 43 -2,-0.5 6,-0.2 6,-0.2 36,-0.1 -0.845 12.2-140.3 -92.0 119.9 46.8 40.8 10.2 62 65 A H > - 0 0 66 4,-2.7 3,-3.0 -2,-0.7 4,-0.2 -0.416 24.5-106.4 -77.5 153.6 43.7 42.5 11.6 63 66 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.841 118.8 62.5 -48.2 -37.8 42.2 45.5 10.0 64 67 A E T 3 S- 0 0 134 1,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.573 120.2-107.9 -70.4 -8.3 43.5 47.7 12.8 65 68 A G S < S+ 0 0 26 -3,-3.0 2,-0.3 1,-0.4 25,-0.2 0.623 86.1 103.3 92.0 12.1 47.1 46.8 11.8 66 69 A F - 0 0 54 -4,-0.2 -4,-2.7 24,-0.1 -1,-0.4 -0.767 53.8-154.8-109.4 170.8 48.1 44.5 14.6 67 70 A G E -BC 61 85A 0 18,-2.9 18,-4.2 -2,-0.3 2,-0.3 -0.923 17.9-147.1-144.8 164.8 48.2 40.7 14.3 68 71 A F E -BC 60 84A 52 -8,-1.9 -8,-2.6 -2,-0.3 2,-0.7 -0.943 24.6-126.5-125.8 152.7 48.0 37.2 15.8 69 72 A L E -BC 59 83A 0 14,-2.1 14,-1.3 -2,-0.3 -10,-0.2 -0.912 25.1-148.8 -98.9 117.0 49.8 34.1 14.8 70 73 A R E -B 58 0A 42 -12,-3.0 -12,-2.6 -2,-0.7 2,-0.5 -0.414 18.2-121.9 -77.3 162.2 47.3 31.3 14.3 71 74 A R > > - 0 0 6 6,-0.6 3,-1.9 -14,-0.2 5,-1.3 -0.919 8.6-146.8-121.4 131.3 48.5 27.8 15.0 72 75 A I G > 5S+ 0 0 19 -2,-0.5 3,-2.1 1,-0.3 -1,-0.1 0.879 100.6 66.9 -54.2 -38.8 48.7 24.8 12.8 73 76 A E G 3 5S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.733 105.8 40.6 -57.2 -25.3 48.0 22.7 15.8 74 77 A D G X 5S- 0 0 53 -3,-1.9 3,-0.7 3,-0.1 -1,-0.3 0.053 115.7-109.6-110.0 19.4 44.5 24.2 16.1 75 78 A N T < 5S- 0 0 22 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.515 71.9 -65.1 54.6 5.2 43.8 24.2 12.4 76 79 A L T 3 - 0 0 25 -2,-0.4 4,-2.1 31,-0.2 5,-0.2 -0.300 19.7-117.1 -86.4 166.9 52.4 44.4 17.1 87 90 A P H > S+ 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.859 116.6 61.0 -70.2 -34.0 52.0 47.0 14.4 88 91 A S H > S+ 0 0 63 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.917 107.4 44.6 -51.6 -47.9 55.6 47.9 14.9 89 92 A Q H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 6,-0.3 0.946 113.0 49.1 -65.1 -49.7 56.6 44.4 14.0 90 93 A I H <>S+ 0 0 19 -4,-2.1 5,-1.7 2,-0.2 4,-0.4 0.897 118.2 41.6 -57.9 -41.3 54.3 44.1 11.0 91 94 A R H ><5S+ 0 0 174 -4,-2.9 3,-1.1 3,-0.2 -2,-0.2 0.980 116.0 45.7 -72.7 -55.5 55.6 47.5 9.7 92 95 A K H 3<5S+ 0 0 157 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.861 122.3 36.3 -59.5 -39.9 59.3 47.1 10.4 93 96 A F T 3<5S- 0 0 40 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.430 103.4-128.8 -93.1 1.0 59.5 43.5 9.0 94 97 A N T < 5 - 0 0 100 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.928 43.2-177.2 56.2 46.7 57.0 44.3 6.2 95 98 A L < - 0 0 8 -5,-1.7 2,-0.3 -6,-0.3 -1,-0.1 -0.328 11.8-157.5 -80.5 159.4 55.0 41.2 7.2 96 99 A N > - 0 0 50 -2,-0.0 3,-2.1 -36,-0.0 -37,-0.2 -0.960 33.0 -84.1-132.7 155.4 51.9 39.9 5.4 97 100 A T T 3 S+ 0 0 32 -2,-0.3 -37,-0.2 1,-0.2 3,-0.1 -0.306 117.3 33.1 -52.5 134.4 48.9 37.8 6.2 98 101 A G T 3 S+ 0 0 0 -39,-2.8 -1,-0.2 1,-0.3 -38,-0.1 -0.054 84.3 134.9 104.8 -31.8 50.0 34.2 5.7 99 102 A D < - 0 0 0 -3,-2.1 -40,-2.5 -41,-0.1 2,-0.7 -0.150 55.0-131.2 -51.7 139.1 53.6 34.6 6.8 100 103 A I E -A 58 0A 5 -42,-0.2 24,-3.5 147,-0.1 2,-0.5 -0.861 26.8-164.3 -93.2 118.8 55.0 32.0 9.1 101 104 A I E -AE 57 123A 0 -44,-2.4 -44,-1.3 -2,-0.7 2,-0.3 -0.917 6.1-172.0-110.1 128.9 56.7 33.9 11.9 102 105 A S E +AE 56 122A 0 20,-2.8 19,-2.8 -2,-0.5 20,-1.7 -0.908 24.4 104.6-119.0 148.7 59.1 32.1 14.2 103 106 A G E -AE 55 120A 0 -48,-2.6 -48,-3.0 -2,-0.3 2,-0.6 -1.000 65.5 -45.9 172.7-176.0 60.7 33.4 17.4 104 107 A V E -AE 54 119A 0 15,-1.9 14,-1.6 -2,-0.3 15,-1.3 -0.793 55.0-162.1 -88.0 120.4 61.2 33.8 21.1 105 108 A I E -AE 53 117A 0 -52,-2.1 -52,-2.1 -2,-0.6 2,-0.4 -0.890 14.4-137.1-114.2 130.2 57.8 34.2 22.7 106 109 A R E -AE 52 116A 25 10,-2.7 10,-1.8 -2,-0.4 -54,-0.2 -0.704 26.4-133.5 -82.3 132.8 57.0 35.5 26.2 107 110 A K - 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