==== 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 NUCLEIC ACID BINDING PROTEIN/DNA/RNA 22-MAY-09 3HK2 . COMPND 2 MOLECULE: ARGONAUTE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.WANG,H.LI,G.SHENG,D.J.PATEL . 1330 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 869 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 230 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 99 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 0 2 0 0 2 0 2 6 0 2 2 2 2 3 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 6 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 PARALLEL BRIDGES PER LADDER . 12 10 10 14 2 2 4 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 8 4 0 0 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 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 L 0 0 105 0, 0.0 299,-0.1 0, 0.0 300,-0.1 0.000 360.0 360.0 360.0-149.6 22.1 -1.7 -66.7 2 5 A G - 0 0 43 296,-0.1 297,-1.0 1,-0.1 2,-0.2 0.123 360.0-128.0 -57.4 158.3 20.7 -4.3 -69.1 3 6 A K E +A 298 0A 156 295,-0.2 2,-0.3 293,-0.0 295,-0.2 -0.560 31.1 173.0 -89.7 168.7 17.3 -6.0 -69.3 4 7 A T E -A 297 0A 67 293,-1.3 293,-2.1 -2,-0.2 2,-0.4 -0.963 30.0-121.0-161.3 165.8 16.9 -9.8 -69.5 5 8 A E E -A 296 0A 108 -2,-0.3 563,-1.4 291,-0.2 564,-0.4 -0.974 32.2-175.1-112.6 138.7 14.3 -12.5 -69.4 6 9 A V E -AB 295 567A 1 289,-2.8 289,-2.3 -2,-0.4 2,-0.5 -0.925 23.5-120.4-127.4 158.5 14.6 -15.2 -66.8 7 10 A F E -AB 294 566A 42 559,-3.3 559,-2.6 -2,-0.3 2,-0.3 -0.837 20.9-151.9 -91.0 129.6 12.7 -18.4 -65.9 8 11 A L E - B 0 565A 9 285,-1.5 2,-1.2 -2,-0.5 557,-0.2 -0.769 29.8-114.3 -90.8 148.8 11.0 -18.7 -62.6 9 12 A N E S+ 0 0 5 555,-0.9 155,-2.2 -2,-0.3 2,-0.3 -0.050 91.2 99.1 -71.9 36.6 10.6 -22.2 -61.1 10 13 A R E - 0 0 73 -2,-1.2 283,-0.6 283,-0.2 2,-0.3 -0.779 59.1-156.8-112.8 166.6 6.9 -21.7 -61.5 11 14 A F E -A 292 0A 10 151,-0.4 151,-2.1 -2,-0.3 2,-0.3 -0.982 15.8-126.0-146.8 133.1 4.8 -23.0 -64.4 12 15 A A E +AC 291 161A 42 279,-3.5 279,-2.2 -2,-0.3 2,-0.2 -0.579 34.7 178.4 -77.5 139.0 1.5 -21.8 -65.8 13 16 A L E - 0 0 14 147,-1.7 275,-0.2 -2,-0.3 276,-0.1 -0.615 35.8 -45.2-130.1-169.5 -1.3 -24.4 -65.9 14 17 A R E - 0 0 54 273,-3.0 146,-2.2 -2,-0.2 -1,-0.2 -0.103 60.5-100.0 -65.7 154.9 -4.9 -24.6 -67.0 15 18 A P E - C 0 159A 94 0, 0.0 144,-0.3 0, 0.0 -1,-0.1 -0.412 44.8-101.5 -59.9 145.9 -7.6 -22.1 -66.0 16 19 A L - 0 0 9 142,-2.7 271,-0.0 1,-0.1 138,-0.0 -0.402 46.3-116.1 -60.4 151.0 -9.8 -23.1 -63.2 17 20 A N >> - 0 0 55 -2,-0.1 4,-1.7 -3,-0.1 3,-1.2 -0.471 25.9 -94.2 -94.6 166.6 -13.1 -24.3 -64.5 18 21 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.635 127.1 46.9 -49.9 -20.9 -16.7 -23.0 -64.0 19 22 A E T >4 S+ 0 0 97 1,-0.1 3,-0.7 2,-0.1 -3,-0.0 0.731 108.9 52.8 -93.8 -28.2 -17.2 -25.3 -61.1 20 23 A E T <4 S+ 0 0 17 -3,-1.2 -1,-0.1 1,-0.2 -4,-0.1 0.729 98.7 63.0 -80.5 -24.9 -13.9 -24.6 -59.4 21 24 A L T 3< S+ 0 0 60 -4,-1.7 74,-1.5 1,-0.3 -1,-0.2 0.054 110.0 45.5 -84.7 23.1 -14.5 -20.8 -59.4 22 25 A R S < S- 0 0 102 -3,-0.7 -1,-0.3 72,-0.3 41,-0.0 -0.356 78.3-168.3-168.1 74.6 -17.4 -21.6 -57.2 23 26 A P - 0 0 2 0, 0.0 70,-2.0 0, 0.0 2,-0.2 -0.147 30.1-106.4 -63.0 158.4 -16.8 -24.1 -54.3 24 27 A W E -OP 63 92B 48 39,-2.8 39,-3.0 68,-0.2 2,-0.4 -0.628 38.4-137.9 -77.2 150.4 -19.6 -25.6 -52.2 25 28 A R E -O 62 0B 96 66,-3.4 65,-3.0 -2,-0.2 2,-0.4 -0.902 18.2-167.7-116.1 146.0 -19.7 -24.1 -48.7 26 29 A L E -OP 61 89B 2 35,-2.2 35,-1.9 -2,-0.4 2,-0.6 -0.985 17.3-140.0-135.8 142.8 -20.2 -25.9 -45.4 27 30 A E E -OP 60 88B 89 61,-2.3 61,-1.3 -2,-0.4 33,-0.2 -0.900 25.5-140.2-102.9 113.9 -21.0 -24.8 -41.8 28 31 A V - 0 0 16 -2,-0.6 2,-0.2 31,-0.6 59,-0.2 -0.312 15.6-169.2 -68.4 152.4 -19.0 -26.9 -39.3 29 32 A V - 0 0 58 57,-0.4 57,-0.2 4,-0.0 2,-0.1 -0.749 3.9-169.4-147.0 101.2 -20.7 -28.0 -36.0 30 33 A L - 0 0 17 -2,-0.2 55,-0.1 55,-0.2 53,-0.0 -0.418 19.8-136.9 -90.8 154.4 -18.6 -29.5 -33.2 31 34 A D S S+ 0 0 53 1,-0.3 -1,-0.1 -2,-0.1 52,-0.1 0.940 98.5 49.3 -73.5 -81.8 -19.9 -31.2 -30.1 32 35 A P S S- 0 0 53 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.406 114.3-111.5 -54.4 93.8 -17.8 -29.8 -27.2 33 36 A P - 0 0 50 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.094 50.3 -88.8 -33.1 126.9 -18.5 -26.3 -28.5 34 37 A P - 0 0 53 0, 0.0 5,-0.1 0, 0.0 2,-0.0 0.057 38.6-108.9 -50.3 146.0 -15.0 -25.4 -29.7 35 38 A G > - 0 0 39 -3,-0.1 4,-0.6 1,-0.1 3,-0.2 -0.312 26.8-120.1 -64.3 159.2 -12.4 -23.8 -27.5 36 39 A R T 4 S+ 0 0 116 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.751 112.1 37.4 -76.0 -22.2 -11.7 -20.1 -28.3 37 40 A E T 4 S+ 0 0 102 1,-0.1 -1,-0.2 2,-0.1 3,-0.2 0.438 113.9 55.0-107.5 -1.6 -8.0 -20.8 -28.9 38 41 A E T > S+ 0 0 35 -3,-0.2 4,-1.5 1,-0.1 5,-0.3 0.467 74.5 97.6-110.8 -5.2 -8.3 -24.2 -30.6 39 42 A V H X S+ 0 0 27 -4,-0.6 4,-1.2 1,-0.2 -1,-0.1 0.644 85.5 47.3 -63.6 -17.3 -10.7 -23.4 -33.5 40 43 A Y H > S+ 0 0 143 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.907 111.8 43.7 -92.9 -50.1 -8.0 -23.0 -36.1 41 44 A P H 4 S+ 0 0 94 0, 0.0 4,-0.2 0, 0.0 -2,-0.2 0.766 125.4 41.0 -60.4 -22.5 -5.8 -26.1 -35.5 42 45 A L H X S+ 0 0 6 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.842 108.5 53.7 -97.8 -41.4 -9.1 -27.9 -35.3 43 46 A L H X S+ 0 0 8 -4,-1.2 4,-1.7 -5,-0.3 -3,-0.2 0.843 111.0 51.0 -61.7 -33.3 -11.2 -26.4 -38.1 44 47 A A H X S+ 0 0 44 -4,-1.7 4,-1.1 2,-0.2 -1,-0.3 0.780 106.8 55.0 -73.2 -26.5 -8.3 -27.2 -40.4 45 48 A Q H > S+ 0 0 66 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.861 106.8 49.2 -73.1 -35.8 -8.5 -30.7 -39.0 46 49 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.881 104.1 58.9 -70.6 -39.0 -12.2 -31.1 -39.9 47 50 A A H X S+ 0 0 3 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.893 110.0 45.0 -56.3 -38.7 -11.6 -29.8 -43.4 48 51 A R H >< S+ 0 0 159 -4,-1.1 3,-1.3 1,-0.2 -2,-0.2 0.930 110.8 52.0 -68.8 -46.2 -9.1 -32.7 -43.8 49 52 A R H 3< S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.713 96.0 72.6 -62.8 -19.5 -11.5 -35.2 -42.2 50 53 A A H 3< S- 0 0 0 -4,-1.6 21,-2.8 1,-0.1 -1,-0.3 0.830 96.0-143.9 -67.6 -31.8 -14.2 -34.1 -44.6 51 54 A G << + 0 0 25 -3,-1.3 -1,-0.1 -4,-0.5 14,-0.1 -0.207 59.5 61.4 89.3 175.9 -12.5 -35.8 -47.5 52 55 A G S S- 0 0 40 1,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.162 113.2 -41.5 60.6-166.9 -12.3 -34.7 -51.1 53 56 A V S S+ 0 0 13 -3,-0.1 11,-2.6 63,-0.0 2,-0.3 -0.853 84.7 146.6 -92.3 109.1 -10.5 -31.5 -51.7 54 57 A T E -Q 63 0B 1 -2,-0.8 9,-0.2 9,-0.2 2,-0.2 -0.972 21.1-178.6-150.6 131.8 -11.7 -29.1 -49.0 55 58 A V E -Q 62 0B 12 7,-2.1 7,-1.8 -2,-0.3 2,-0.4 -0.611 39.4 -81.2-118.1 178.6 -10.0 -26.3 -47.1 56 59 A R E -Q 61 0B 102 5,-0.2 2,-0.4 -2,-0.2 5,-0.3 -0.707 37.4-174.8 -84.0 131.2 -11.0 -23.9 -44.3 57 60 A M E > -Q 60 0B 19 3,-3.7 3,-1.1 -2,-0.4 2,-0.6 -0.813 62.2 -59.5-129.1 93.9 -13.0 -20.8 -45.4 58 61 A G T 3 S- 0 0 42 -2,-0.4 4,-0.1 1,-0.2 -2,-0.0 -0.643 118.9 -21.9 70.3-116.1 -13.6 -18.4 -42.5 59 62 A D T 3 S+ 0 0 125 -2,-0.6 -31,-0.6 -3,-0.1 2,-0.2 -0.046 137.1 50.1-115.3 27.7 -15.4 -20.5 -39.9 60 63 A G E < S-OQ 27 57B 9 -3,-1.1 -3,-3.7 -33,-0.2 2,-0.4 -0.784 88.7 -92.2-140.9-171.9 -16.7 -23.0 -42.5 61 64 A L E -OQ 26 56B 0 -35,-1.9 -35,-2.2 -5,-0.3 2,-0.5 -0.861 16.7-150.5-109.6 146.1 -15.3 -25.1 -45.3 62 65 A A E -OQ 25 55B 0 -7,-1.8 -7,-2.1 -2,-0.4 2,-0.4 -0.967 25.9-168.8-102.9 129.0 -14.9 -24.4 -49.0 63 66 A S E -OQ 24 54B 0 -39,-3.0 -39,-2.8 -2,-0.5 -9,-0.2 -0.967 33.5-159.5-124.9 140.2 -15.1 -27.7 -51.0 64 67 A W S S+ 0 0 30 -11,-2.6 -10,-0.1 -2,-0.4 -1,-0.1 0.075 83.0 75.7 -91.1 21.1 -14.4 -28.5 -54.6 65 68 A S S S- 0 0 22 -12,-0.2 -41,-0.1 -41,-0.1 -2,-0.0 -0.999 92.1-106.5-135.8 133.2 -16.6 -31.6 -54.0 66 69 A P > - 0 0 49 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.305 34.0-120.4 -53.8 137.8 -20.3 -31.9 -53.7 67 70 A P G > S+ 0 0 6 0, 0.0 3,-2.2 0, 0.0 5,-0.2 0.832 107.5 71.5 -52.3 -37.6 -21.4 -32.5 -50.1 68 71 A E G 3 S+ 0 0 154 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.825 101.0 45.5 -52.4 -34.3 -23.0 -35.8 -51.0 69 72 A V G < S+ 0 0 110 -3,-1.7 2,-0.3 2,-0.1 -1,-0.3 -0.129 98.3 92.3-102.5 37.3 -19.5 -37.3 -51.5 70 73 A L S < S- 0 0 15 -3,-2.2 2,-1.9 17,-0.1 -19,-0.2 -0.928 86.9-112.1-119.5 151.0 -18.0 -35.9 -48.4 71 74 A V + 0 0 80 -21,-2.8 -3,-0.1 -2,-0.3 -2,-0.1 -0.594 44.6 173.0 -77.6 80.0 -17.8 -37.5 -44.9 72 75 A L + 0 0 41 -2,-1.9 15,-3.0 -5,-0.2 2,-0.4 0.661 61.5 49.2 -71.2 -17.1 -20.2 -35.0 -43.4 73 76 A E B S+R 86 0C 126 13,-0.2 2,-0.2 -3,-0.1 13,-0.2 -0.990 72.5 114.1-126.2 132.6 -20.4 -36.8 -40.1 74 77 A G - 0 0 27 11,-1.2 2,-0.3 -2,-0.4 11,-0.1 -0.890 50.5-101.0-162.4-169.1 -17.5 -38.1 -38.1 75 78 A T - 0 0 90 -2,-0.2 2,-0.3 9,-0.2 9,-0.3 -0.892 24.2-153.9-129.3 171.5 -15.6 -37.7 -34.8 76 79 A L E -S 83 0D 1 7,-2.9 7,-2.8 -2,-0.3 2,-0.6 -0.993 7.7-159.4-152.8 126.1 -12.3 -36.0 -33.9 77 80 A A E +S 82 0D 61 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.925 22.1 167.2-114.9 107.4 -9.6 -36.5 -31.3 78 81 A R E > -S 81 0D 22 3,-2.2 3,-1.7 -2,-0.6 -2,-0.0 -0.980 68.9 -18.9-125.4 125.5 -7.4 -33.4 -30.6 79 82 A M T 3 S- 0 0 116 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.824 130.0 -48.5 50.5 37.0 -5.1 -33.0 -27.7 80 83 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 668,-0.0 2,-0.2 -0.078 115.6 107.9 101.6 -33.3 -6.9 -35.7 -25.8 81 84 A Q E < -S 78 0D 42 -3,-1.7 -3,-2.2 1,-0.0 2,-0.7 -0.528 60.8-138.8 -84.4 146.2 -10.5 -34.5 -26.3 82 85 A T E -S 77 0D 103 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.3 -0.854 22.4-176.2-108.5 99.6 -13.0 -36.2 -28.6 83 86 A Y E -S 76 0D 31 -7,-2.8 -7,-2.9 -2,-0.7 2,-0.6 -0.668 16.1-144.8 -90.3 148.4 -15.1 -33.7 -30.7 84 87 A A - 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