==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-DEC-12 4IFV . COMPND 2 MOLECULE: EXORIBONUCLEASE H, P66 RT; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR J.D.BAUMAN,D.PATEL,M.FROMER,E.ARNOLD . 968 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 . 55 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 3 1 2 0 2 0 1 1 1 2 1 1 3 2 1 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 1 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 0 PARALLEL BRIDGES PER LADDER . 6 2 7 0 3 4 5 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 1 4 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 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 M 0 0 213 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.1 71.6 -27.9 66.0 2 0 A V - 0 0 116 213,-0.0 2,-0.1 1,-0.0 0, 0.0 -0.878 360.0-120.1 -94.1 121.4 71.7 -27.1 62.3 3 1 A P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 212,-0.1 -0.397 30.7-161.2 -64.3 135.5 71.3 -23.3 61.9 4 2 A I - 0 0 95 210,-0.1 210,-0.2 -2,-0.1 209,-0.1 -0.865 21.9-109.1-116.5 152.8 68.3 -22.3 59.8 5 3 A S - 0 0 58 208,-2.8 2,-0.1 -2,-0.3 3,-0.0 -0.641 35.2-124.2 -78.3 132.5 67.5 -19.1 58.1 6 4 A P - 0 0 116 0, 0.0 2,-0.5 0, 0.0 209,-0.1 -0.464 21.7-116.3 -71.9 147.9 64.7 -17.1 59.7 7 5 A I - 0 0 27 207,-0.1 2,-0.1 -2,-0.1 158,-0.0 -0.778 35.6-119.0 -82.3 125.4 61.8 -16.1 57.5 8 6 A E - 0 0 141 -2,-0.5 2,-0.2 157,-0.1 115,-0.1 -0.445 27.4-123.5 -68.4 135.7 61.8 -12.3 57.4 9 7 A T - 0 0 50 -2,-0.1 113,-0.1 113,-0.1 -1,-0.1 -0.519 14.2-127.1 -79.8 147.6 58.6 -10.7 58.8 10 8 A V - 0 0 9 111,-0.4 113,-0.5 -2,-0.2 2,-0.2 -0.836 27.7-119.2 -89.9 123.8 56.4 -8.4 56.8 11 9 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 593,-0.0 -0.478 36.3-165.5 -63.3 131.4 55.7 -5.1 58.6 12 10 A V - 0 0 10 -2,-0.2 2,-0.3 74,-0.0 594,-0.0 -0.948 8.9-173.0-125.9 141.8 52.0 -4.8 59.1 13 11 A K - 0 0 151 -2,-0.4 74,-1.9 593,-0.1 2,-0.2 -0.917 25.1-117.5-128.5 155.9 49.8 -1.7 60.1 14 12 A L B -A 86 0A 22 -2,-0.3 72,-0.2 72,-0.2 3,-0.1 -0.494 54.3 -82.4 -75.2 159.7 46.3 -1.0 61.0 15 13 A K > - 0 0 66 70,-2.5 3,-2.0 -2,-0.2 -1,-0.1 -0.366 66.4 -78.4 -60.5 146.9 44.4 1.3 58.7 16 14 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.186 115.9 10.0 -52.2 134.8 45.1 5.0 59.4 17 15 A G T 3 S+ 0 0 94 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.281 103.5 116.7 82.7 -10.7 43.2 6.4 62.4 18 16 A M < - 0 0 91 -3,-2.0 -1,-0.2 67,-0.1 2,-0.2 -0.691 49.7-153.6 -97.6 142.7 42.0 3.0 63.5 19 17 A D - 0 0 67 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.504 34.4 -83.1 -99.5 177.4 42.9 1.2 66.7 20 18 A G - 0 0 2 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.222 57.9 -77.6 -76.1 171.1 42.9 -2.6 67.3 21 19 A P - 0 0 0 0, 0.0 38,-2.1 0, 0.0 2,-0.4 -0.402 35.2-173.1 -71.4 139.2 39.8 -4.7 68.1 22 20 A K B +b 59 0B 130 36,-0.3 2,-0.4 -2,-0.1 38,-0.1 -0.874 23.2 161.5-128.3 109.2 38.3 -4.7 71.6 23 21 A V - 0 0 40 36,-0.9 2,-0.0 -2,-0.4 58,-0.0 -0.979 40.2-111.0-137.5 129.7 35.6 -7.3 71.5 24 22 A K - 0 0 147 -2,-0.4 2,-0.5 1,-0.1 35,-0.0 -0.323 30.1-123.3 -63.5 135.0 33.9 -9.1 74.4 25 23 A Q - 0 0 28 36,-0.1 -1,-0.1 35,-0.1 3,-0.1 -0.695 28.5-123.3 -76.7 123.7 34.6 -12.8 74.8 26 24 A W - 0 0 111 -2,-0.5 36,-0.1 36,-0.2 2,-0.1 -0.269 30.2-101.4 -57.9 149.5 31.4 -14.9 74.7 27 25 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.486 43.7-160.2 -69.0 150.0 30.7 -17.1 77.7 28 26 A L - 0 0 30 -2,-0.1 2,-0.0 -3,-0.1 35,-0.0 -0.950 22.3 -97.5-133.0 153.3 31.6 -20.8 77.0 29 27 A T >> - 0 0 75 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.370 36.0-115.3 -65.7 148.7 30.6 -24.1 78.5 30 28 A E H 3> S+ 0 0 122 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.842 118.5 59.0 -52.4 -35.2 33.0 -25.5 81.0 31 29 A E H 3> S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.903 106.5 44.7 -59.2 -46.9 33.5 -28.3 78.5 32 30 A K H <> S+ 0 0 52 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.865 109.8 55.9 -69.6 -37.6 34.6 -26.0 75.7 33 31 A I H X S+ 0 0 9 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.947 105.8 50.1 -58.9 -51.7 37.0 -24.1 78.0 34 32 A K H X S+ 0 0 144 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.858 111.5 49.7 -56.5 -38.3 38.9 -27.2 79.0 35 33 A A H X S+ 0 0 13 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.879 111.2 48.0 -69.8 -39.2 39.3 -28.1 75.4 36 34 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.869 109.0 54.1 -68.4 -37.6 40.6 -24.7 74.5 37 35 A V H X S+ 0 0 46 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.934 111.8 44.8 -60.8 -46.4 43.0 -24.7 77.4 38 36 A E H X S+ 0 0 144 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.926 114.2 48.9 -62.6 -47.2 44.4 -28.0 76.1 39 37 A I H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.930 114.8 44.2 -59.2 -47.1 44.6 -26.8 72.5 40 38 A C H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.818 107.0 59.8 -69.6 -32.5 46.3 -23.5 73.4 41 39 A T H X S+ 0 0 45 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.932 110.6 42.5 -59.7 -45.0 48.7 -25.3 75.8 42 40 A E H X S+ 0 0 95 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.938 113.3 51.3 -65.0 -49.0 50.0 -27.3 72.9 43 41 A M H <>S+ 0 0 32 -4,-2.3 5,-2.0 1,-0.2 6,-0.7 0.851 110.1 51.1 -56.7 -36.4 50.0 -24.3 70.5 44 42 A E H ><5S+ 0 0 64 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.861 105.4 54.7 -71.3 -37.3 52.0 -22.4 73.0 45 43 A K H 3<5S+ 0 0 158 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.837 107.3 51.9 -62.2 -32.7 54.5 -25.2 73.4 46 44 A E T 3<5S- 0 0 101 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.458 117.2-115.8 -84.7 -2.4 55.0 -25.1 69.6 47 45 A G T < 5S+ 0 0 38 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.488 82.6 120.5 83.9 4.5 55.7 -21.3 69.8 48 46 A K S - 0 0 32 -2,-0.3 3,-1.0 1,-0.1 -1,-0.1 -0.108 37.9-101.8 -72.6 173.1 50.2 -9.7 80.6 54 52 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.629 107.8 80.5 -69.8 -17.3 47.1 -7.8 81.8 55 53 A E T 3 + 0 0 171 2,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.670 63.4 100.2 -69.4 -20.6 48.3 -4.6 80.1 56 54 A N < - 0 0 21 -3,-1.0 -4,-0.0 1,-0.2 73,-0.0 -0.605 54.3-166.9 -74.5 113.3 47.2 -5.5 76.6 57 55 A P + 0 0 75 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.583 54.6 96.4 -72.7 -18.9 43.9 -3.7 75.9 58 56 A Y + 0 0 22 70,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.368 46.5 177.9 -81.3 152.8 42.9 -5.6 72.8 59 57 A N B -b 22 0B 19 -38,-2.1 -36,-0.9 70,-0.1 73,-0.2 -0.954 15.3-173.8-153.5 145.7 40.6 -8.7 72.4 60 58 A T B -d 132 0C 1 71,-1.2 73,-0.6 -2,-0.3 19,-0.1 -0.988 38.3-106.4-131.2 139.7 39.2 -10.9 69.7 61 59 A P - 0 0 3 0, 0.0 17,-2.3 0, 0.0 2,-0.4 -0.359 28.8-152.0 -74.7 146.2 36.6 -13.6 70.5 62 60 A V E -F 77 0D 0 71,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.912 11.5-170.4-119.2 142.5 37.4 -17.3 70.6 63 61 A F E -F 76 0D 49 13,-3.2 13,-2.4 -2,-0.4 2,-0.5 -0.846 19.7-137.1-127.0 162.4 35.1 -20.2 69.9 64 62 A A E -F 75 0D 3 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.973 22.0-168.8-122.0 116.2 35.1 -24.0 70.3 65 63 A I E -F 74 0D 81 9,-2.6 9,-2.3 -2,-0.5 2,-0.6 -0.895 15.5-137.3-109.0 130.8 33.6 -25.9 67.3 66 64 A K E -F 73 0D 133 -2,-0.5 7,-0.2 7,-0.2 2,-0.1 -0.755 19.3-129.2 -88.4 120.1 32.8 -29.6 67.5 67 65 A K > - 0 0 94 5,-1.2 3,-1.8 -2,-0.6 5,-0.2 -0.469 41.8 -90.2 -65.1 137.8 33.9 -31.6 64.4 68 66 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.290 110.5 2.7 -58.4 131.8 31.0 -33.7 63.1 69 67 A D T 3 S+ 0 0 163 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.056 109.3 128.6 76.6 -16.9 30.9 -37.2 64.7 70 68 A S < - 0 0 37 -3,-1.8 -1,-0.2 2,-0.1 -4,-0.0 -0.236 57.0-162.9 -81.0 152.5 33.9 -36.1 66.8 71 69 A T S S+ 0 0 133 -3,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.306 78.2 91.1 -95.2 0.8 34.8 -36.2 70.5 72 70 A K - 0 0 147 -5,-0.2 -5,-1.2 -37,-0.0 -2,-0.1 -0.879 67.9-145.7-112.3 122.9 37.5 -33.7 69.6 73 71 A W E -F 66 0D 50 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.392 4.7-148.1 -79.6 156.1 37.1 -29.9 69.6 74 72 A R E -F 65 0D 112 -9,-2.3 -9,-2.6 -2,-0.1 2,-0.4 -0.976 17.6-123.3-122.7 142.2 38.7 -27.3 67.2 75 73 A K E -F 64 0D 23 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.709 25.1-173.5 -85.9 128.9 39.7 -23.8 68.2 76 74 A L E -F 63 0D 73 -13,-2.4 -13,-3.2 -2,-0.4 2,-0.6 -0.960 7.4-168.1-123.6 116.1 38.2 -20.9 66.2 77 75 A V E -F 62 0D 13 -2,-0.5 2,-1.0 -15,-0.2 -15,-0.2 -0.897 20.2-140.1-100.3 121.9 39.3 -17.3 66.7 78 76 A D + 0 0 29 -17,-2.3 3,-0.4 -2,-0.6 4,-0.2 -0.704 24.3 176.3 -92.7 107.9 37.0 -14.9 64.9 79 77 A F > + 0 0 4 -2,-1.0 4,-3.0 1,-0.2 5,-0.2 0.216 41.7 116.5 -94.0 7.7 39.1 -12.2 63.4 80 78 A R H > S+ 0 0 162 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.862 79.5 45.5 -47.4 -44.0 36.3 -10.3 61.6 81 79 A E H > S+ 0 0 57 -3,-0.4 4,-1.1 2,-0.2 3,-0.3 0.940 114.1 46.5 -69.5 -47.4 36.8 -7.2 63.7 82 80 A L H > S+ 0 0 0 1,-0.2 4,-0.7 -4,-0.2 3,-0.4 0.877 109.1 57.5 -59.7 -37.8 40.6 -7.1 63.4 83 81 A N H >< S+ 0 0 38 -4,-3.0 3,-0.5 1,-0.2 -1,-0.2 0.855 101.5 54.8 -63.4 -35.5 40.2 -7.8 59.7 84 82 A K H 3< S+ 0 0 131 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.836 113.9 42.4 -62.9 -32.4 38.1 -4.6 59.3 85 83 A R H 3< S+ 0 0 67 -4,-1.1 -70,-2.5 -3,-0.4 2,-0.3 0.459 93.8 101.1 -96.7 -2.5 40.9 -2.6 60.9 86 84 A T B << S-A 14 0A 0 -4,-0.7 -72,-0.2 -3,-0.5 3,-0.1 -0.625 78.0-106.3 -88.0 144.0 43.8 -4.2 59.1 87 85 A Q - 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