==== 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 21-MAY-09 3HJF . COMPND 2 MOLECULE: ARGONAUTE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.WANG,H.LI,G.SHENG,D.J.PATEL . 665 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 49 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 1 1 0 1 0 1 0 2 2 1 0 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 3 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 PARALLEL BRIDGES PER LADDER . 1 6 5 4 1 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 2 0 0 0 0 0 0 0 0 0 0 0 1 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 3 A H 0 0 136 0, 0.0 301,-0.1 0, 0.0 300,-0.0 0.000 360.0 360.0 360.0 84.7 -7.5 1.2 -42.9 2 4 A L - 0 0 96 299,-0.7 2,-0.2 1,-0.2 300,-0.1 0.206 360.0 -57.5 -82.0-172.3 -6.0 -1.7 -44.9 3 5 A G - 0 0 30 1,-0.1 298,-1.5 297,-0.1 -1,-0.2 -0.498 47.5-114.6 -85.1 139.9 -7.3 -3.9 -47.7 4 6 A K E +A 300 0A 133 -2,-0.2 2,-0.3 296,-0.2 296,-0.2 0.209 30.9 176.1 -54.9-179.5 -10.4 -6.2 -47.9 5 7 A T E -A 299 0A 69 294,-0.8 294,-2.7 2,-0.0 2,-0.4 -0.903 26.0-120.5 177.6 149.4 -10.4 -9.9 -48.2 6 8 A E E +A 298 0A 69 -2,-0.3 564,-1.1 292,-0.2 2,-0.3 -0.946 32.2 170.9-114.5 138.3 -13.1 -12.6 -48.2 7 9 A V E -AB 297 569A 4 290,-2.6 290,-3.0 -2,-0.4 2,-0.5 -0.961 24.4-136.2-136.3 150.5 -13.3 -15.4 -45.7 8 10 A F E -AB 296 568A 16 560,-1.6 560,-1.8 -2,-0.3 288,-0.3 -0.968 18.8-140.2-111.5 135.1 -15.8 -18.1 -44.8 9 11 A L E - B 0 567A 13 286,-1.2 2,-1.3 -2,-0.5 286,-0.2 -0.263 36.0 -94.2 -73.1 166.2 -16.6 -18.9 -41.2 10 12 A N E S+ 0 0 4 556,-1.2 155,-1.9 284,-0.1 2,-0.3 -0.250 97.1 98.7 -78.5 45.6 -17.2 -22.4 -39.8 11 13 A R E - C 0 164A 65 -2,-1.3 284,-2.0 284,-0.4 2,-0.3 -0.925 53.9-163.7-127.3 161.6 -20.9 -22.0 -40.4 12 14 A F E -AC 294 163A 7 151,-1.2 151,-2.2 -2,-0.3 2,-0.4 -0.972 18.6-123.3-142.1 150.8 -23.1 -23.1 -43.2 13 15 A A E -AC 293 162A 38 280,-2.1 280,-2.0 -2,-0.3 149,-0.2 -0.829 31.8-179.0 -98.9 137.0 -26.5 -22.2 -44.5 14 16 A L E - C 0 161A 12 147,-2.5 147,-1.1 -2,-0.4 276,-0.2 -0.640 38.8 -42.1-126.3-174.5 -29.2 -24.9 -44.8 15 17 A R - 0 0 57 274,-3.6 146,-0.4 -2,-0.2 -1,-0.2 -0.060 62.7-102.3 -61.4 143.9 -32.9 -25.2 -45.9 16 18 A P - 0 0 88 0, 0.0 144,-0.3 0, 0.0 -1,-0.1 -0.339 47.6 -95.7 -55.8 139.1 -35.4 -22.6 -44.9 17 19 A L - 0 0 10 142,-2.1 5,-0.0 -3,-0.1 138,-0.0 -0.322 47.7-116.5 -59.5 142.7 -37.7 -23.6 -42.1 18 20 A N >> - 0 0 54 1,-0.1 3,-2.8 -3,-0.1 4,-1.4 -0.431 27.0 -95.3 -88.7 157.9 -40.9 -25.1 -43.5 19 21 A P T 34 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.618 126.5 49.9 -41.1 -19.3 -44.5 -23.8 -43.0 20 22 A E T 34 S+ 0 0 96 2,-0.1 3,-0.3 1,-0.1 -3,-0.0 0.664 106.6 51.3 -98.1 -22.8 -44.9 -26.2 -40.1 21 23 A E T <4 S+ 0 0 14 -3,-2.8 -1,-0.1 1,-0.2 -4,-0.1 0.582 103.2 61.1 -89.8 -13.7 -41.7 -25.2 -38.3 22 24 A L S < S+ 0 0 61 -4,-1.4 74,-2.5 1,-0.2 -1,-0.2 0.461 106.0 48.5 -86.9 -3.9 -42.7 -21.5 -38.5 23 25 A R S S- 0 0 87 -3,-0.3 -1,-0.2 72,-0.3 -2,-0.0 -0.551 84.3-164.1-137.5 67.8 -45.9 -22.2 -36.4 24 26 A P - 0 0 2 0, 0.0 70,-1.7 0, 0.0 2,-0.2 -0.029 24.0-108.5 -53.5 153.9 -44.8 -24.3 -33.4 25 27 A W E -PQ 64 93B 66 39,-2.6 39,-2.0 68,-0.2 2,-0.4 -0.606 34.0-141.6 -79.6 146.3 -47.3 -26.2 -31.3 26 28 A R E +P 63 0B 48 66,-3.0 65,-2.5 -2,-0.2 2,-0.4 -0.907 20.9 176.9-115.8 141.9 -47.9 -24.7 -27.8 27 29 A L E - Q 0 90B 10 35,-1.9 35,-0.4 -2,-0.4 2,-0.2 -0.993 17.7-145.8-145.2 133.6 -48.5 -26.6 -24.6 28 30 A E E - Q 0 89B 25 61,-3.0 61,-2.9 -2,-0.4 2,-0.3 -0.578 21.9-134.9 -90.6 161.7 -49.0 -25.5 -21.0 29 31 A V - 0 0 32 31,-0.3 2,-0.3 59,-0.2 59,-0.2 -0.754 14.2-165.7-117.0 161.8 -47.7 -27.6 -18.1 30 32 A V - 0 0 76 -2,-0.3 57,-0.8 57,-0.2 2,-0.3 -0.841 11.4-175.2-149.4 108.0 -49.1 -28.7 -14.7 31 33 A L E -S 86 0C 19 -2,-0.3 55,-0.2 55,-0.2 53,-0.0 -0.797 15.3-136.6-107.1 149.3 -46.8 -30.1 -12.0 32 34 A D E S+S 85 0C 103 53,-1.7 53,-2.0 -2,-0.3 -2,-0.0 -0.856 97.7 50.3-153.7 114.1 -47.8 -31.5 -8.6 33 35 A P S S- 0 0 61 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.133 119.3-111.2 -48.6 126.8 -46.4 -30.9 -6.0 34 36 A P - 0 0 98 0, 0.0 -2,-0.2 0, 0.0 -4,-0.0 -0.095 42.3 -88.0 -47.8 144.3 -47.1 -27.4 -7.5 35 37 A P - 0 0 77 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.086 39.1-138.1 -55.2 163.5 -43.9 -25.6 -8.7 36 38 A G - 0 0 55 -3,-0.1 4,-0.0 1,-0.1 0, 0.0 0.175 30.1 -84.2 -99.4-140.7 -41.7 -23.4 -6.5 37 39 A R S > S+ 0 0 95 3,-0.1 3,-0.6 2,-0.0 4,-0.2 0.870 112.7 6.5 -97.3 -81.1 -39.9 -20.1 -7.0 38 40 A E T 3 S+ 0 0 91 1,-0.2 -1,-0.0 2,-0.1 0, 0.0 0.159 120.1 74.7 -93.1 16.3 -36.5 -20.3 -8.7 39 41 A E T 3 S+ 0 0 54 2,-0.1 4,-0.4 1,-0.1 -1,-0.2 0.554 75.7 80.3 -99.1 -13.8 -37.1 -24.1 -9.2 40 42 A V S X> S+ 0 0 38 -3,-0.6 4,-3.3 1,-0.2 3,-0.6 0.918 93.7 41.1 -59.8 -50.5 -39.6 -23.6 -12.1 41 43 A Y H 3> S+ 0 0 122 -4,-0.2 4,-1.2 1,-0.2 5,-0.2 0.917 109.6 53.4 -74.9 -46.0 -37.1 -22.9 -15.0 42 44 A P H 34 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.577 122.6 36.8 -62.8 -4.5 -34.4 -25.5 -14.3 43 45 A L H <> S+ 0 0 26 -3,-0.6 4,-1.6 -4,-0.4 -2,-0.2 0.730 105.8 60.6-114.1 -42.7 -37.3 -28.0 -14.2 44 46 A L H X S+ 0 0 11 -4,-3.3 4,-0.6 1,-0.3 -3,-0.2 0.702 108.7 51.5 -58.6 -19.5 -39.6 -26.7 -16.9 45 47 A A H X S+ 0 0 50 -4,-1.2 4,-1.1 -5,-0.2 -1,-0.3 0.829 106.1 52.3 -83.1 -37.2 -36.6 -27.3 -19.1 46 48 A Q H > S+ 0 0 72 1,-0.2 4,-1.6 -5,-0.2 -2,-0.2 0.684 105.5 55.7 -71.4 -20.3 -36.2 -30.9 -17.8 47 49 A V H X S+ 0 0 4 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.784 98.9 59.4 -83.8 -29.6 -39.9 -31.6 -18.6 48 50 A A H X S+ 0 0 5 -4,-0.6 4,-0.7 -5,-0.2 7,-0.3 0.899 108.8 47.6 -57.5 -39.2 -39.4 -30.6 -22.2 49 51 A R H >< S+ 0 0 53 -4,-1.1 3,-0.7 1,-0.2 -2,-0.2 0.930 113.4 44.9 -68.7 -45.5 -36.8 -33.4 -22.2 50 52 A R H 3< S+ 0 0 125 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.834 101.3 68.7 -68.4 -33.4 -39.1 -36.0 -20.5 51 53 A A H 3< S- 0 0 1 -4,-2.5 21,-2.7 1,-0.2 -1,-0.2 0.791 100.3-138.5 -57.6 -31.1 -42.0 -35.1 -22.7 52 54 A G << + 0 0 23 -3,-0.7 3,-0.2 -4,-0.7 -1,-0.2 -0.410 58.2 58.2 98.5-177.4 -40.2 -36.6 -25.7 53 55 A G S S- 0 0 24 1,-0.2 2,-1.3 -2,-0.1 -1,-0.2 0.138 108.9 -36.5 51.1-168.7 -39.9 -35.4 -29.3 54 56 A V S S+ 0 0 11 -3,-0.1 11,-2.9 2,-0.0 12,-0.5 -0.688 85.0 145.4 -90.1 87.5 -38.5 -32.0 -30.3 55 57 A T E +R 64 0B 3 -2,-1.3 2,-0.3 -7,-0.3 9,-0.2 -0.980 20.6 174.6-130.3 136.2 -39.7 -29.8 -27.5 56 58 A V E -R 63 0B 17 7,-2.2 7,-3.5 -2,-0.4 2,-0.1 -0.957 39.4 -91.5-135.7 154.2 -38.1 -26.8 -25.7 57 59 A R E -R 62 0B 99 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.383 35.1-178.6 -71.9 142.2 -39.4 -24.3 -23.1 58 60 A M E > -R 61 0B 47 3,-1.3 3,-0.7 -2,-0.1 2,-0.4 -0.696 58.8 -51.8-143.7 84.3 -41.1 -21.1 -24.2 59 61 A G T 3 S- 0 0 38 -2,-0.2 4,-0.1 1,-0.2 -1,-0.0 -0.718 117.8 -14.1 86.8-135.2 -42.3 -18.9 -21.4 60 62 A D T 3 S+ 0 0 91 -2,-0.4 2,-0.3 -3,-0.1 -31,-0.3 0.654 140.9 29.6 -81.1 -18.5 -44.4 -20.4 -18.6 61 63 A G E < S- R 0 58B 5 -3,-0.7 -3,-1.3 -33,-0.1 -33,-0.2 -0.916 91.6-102.7-132.9 164.3 -45.0 -23.4 -20.8 62 64 A L E - R 0 57B 4 -35,-0.4 -35,-1.9 -2,-0.3 2,-0.3 -0.290 20.2-136.9 -87.3 169.0 -43.0 -25.1 -23.5 63 65 A A E -PR 26 56B 0 -7,-3.5 -7,-2.2 -37,-0.2 2,-0.3 -0.835 19.1-165.2-118.4 161.0 -43.2 -25.2 -27.3 64 66 A S E -PR 25 55B 5 -39,-2.0 -39,-2.6 -2,-0.3 -9,-0.2 -1.000 30.0-156.4-152.0 143.9 -42.8 -28.2 -29.6 65 67 A W S S+ 0 0 30 -11,-2.9 -10,-0.1 -2,-0.3 -1,-0.1 0.472 84.9 75.2 -96.4 -5.9 -42.2 -29.0 -33.2 66 68 A S S S- 0 0 27 -12,-0.5 -41,-0.1 -14,-0.1 5,-0.0 -0.832 96.1-101.7-102.3 144.9 -43.8 -32.4 -32.7 67 69 A P > - 0 0 46 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.366 29.2-117.4 -64.3 146.0 -47.6 -32.7 -32.4 68 70 A P G > S+ 0 0 9 0, 0.0 3,-1.5 0, 0.0 5,-0.2 0.736 110.6 67.5 -50.6 -28.1 -48.9 -33.2 -28.8 69 71 A E G 3 S+ 0 0 148 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.676 98.9 48.9 -77.0 -19.3 -50.3 -36.6 -29.8 70 72 A V G < S+ 0 0 97 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 -0.048 99.9 89.4-104.9 27.6 -46.9 -38.0 -30.3 71 73 A L S < S- 0 0 24 -3,-1.5 2,-1.6 -19,-0.1 -19,-0.2 -0.877 89.0-111.9-115.9 155.5 -45.7 -36.7 -26.9 72 74 A V - 0 0 83 -21,-2.7 16,-0.1 -2,-0.3 -3,-0.1 -0.723 40.6-178.1 -79.7 88.1 -45.9 -38.3 -23.5 73 75 A L + 0 0 44 -2,-1.6 15,-3.2 -5,-0.2 2,-0.3 0.554 65.8 36.8 -74.9 -7.3 -48.4 -35.8 -22.4 74 76 A E E S+T 87 0C 114 13,-0.3 2,-0.3 -23,-0.1 13,-0.2 -0.995 75.9 117.9-142.1 140.8 -48.5 -37.3 -18.9 75 77 A G E -T 86 0C 29 11,-1.3 11,-2.4 -2,-0.3 2,-0.3 -0.976 50.4 -87.1-175.7-172.2 -45.8 -38.8 -16.8 76 78 A T E -T 85 0C 93 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.861 33.9-180.0-119.5 153.7 -43.7 -38.7 -13.7 77 79 A L E -T 84 0C 4 7,-0.7 7,-3.8 -2,-0.3 2,-0.4 -0.980 18.7-147.4-148.6 154.5 -40.4 -36.9 -12.9 78 80 A A E +T 83 0C 63 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.996 23.2 170.3-128.1 127.7 -37.9 -36.4 -10.1 79 81 A R - 0 0 34 3,-1.2 -1,-0.1 -2,-0.4 -36,-0.0 0.361 69.5 -13.5-103.8-128.9 -36.0 -33.1 -9.6 80 82 A M S S- 0 0 114 1,-0.2 -2,-0.0 -41,-0.1 -41,-0.0 0.689 136.1 -47.5 -49.6 -17.7 -33.8 -31.8 -6.8 81 83 A G S S+ 0 0 67 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.439 108.3 98.4 145.5 58.0 -35.4 -34.8 -5.1 82 84 A Q - 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