==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, HYDROLASE 26-AUG-09 3ISN . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR E.ENNIFAR,S.FREISZ,G.BEC,P.DUMAS,M.BOTTA,M.RADI . 971 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 61.0 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 . 130 13.4 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 . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 1 0.1 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 . 58 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 2 2 2 1 0 2 0 1 4 1 1 3 1 1 0 2 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 4 6 0 2 6 2 1 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 2 3 2 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 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 C P 0 0 91 0, 0.0 2,-0.2 0, 0.0 214,-0.1 0.000 360.0 360.0 360.0 141.7 -78.4 -61.4 18.8 2 2 C I - 0 0 62 42,-0.3 116,-0.2 1,-0.1 115,-0.1 -0.511 360.0-112.3 -67.4 132.1 -78.2 -57.6 18.6 3 3 C S - 0 0 6 114,-1.8 210,-0.2 -2,-0.2 209,-0.1 -0.334 7.2-135.5 -66.2 144.0 -77.3 -56.1 22.0 4 4 C P + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.563 66.5 125.7 -70.5 -11.2 -79.9 -53.9 24.0 5 5 C I S S- 0 0 11 207,-0.4 158,-0.0 1,-0.1 2,-0.0 -0.068 72.0 -96.8 -56.0 147.3 -77.0 -51.5 24.8 6 6 C E - 0 0 165 1,-0.1 -1,-0.1 157,-0.1 115,-0.1 -0.358 41.7-118.1 -62.5 140.9 -77.4 -47.8 23.9 7 7 C T - 0 0 53 113,-0.1 113,-0.1 -3,-0.1 -1,-0.1 -0.324 19.8-119.2 -70.3 160.1 -75.9 -46.8 20.6 8 8 C V - 0 0 14 111,-0.4 113,-0.5 -2,-0.0 -1,-0.1 -0.934 33.6-112.7 -99.3 126.4 -73.1 -44.3 20.4 9 9 C P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 113,-0.0 -0.312 35.7-160.7 -57.0 135.4 -74.0 -41.2 18.3 10 10 C V - 0 0 11 111,-0.0 2,-0.3 -2,-0.0 600,-0.0 -0.978 7.5-168.5-130.3 137.1 -72.0 -41.0 15.1 11 11 C K - 0 0 151 -2,-0.4 74,-2.8 75,-0.1 2,-0.2 -0.875 22.0-123.8-122.8 150.1 -71.4 -38.0 12.8 12 12 C L B -A 84 0A 24 -2,-0.3 72,-0.3 72,-0.3 3,-0.1 -0.567 52.7 -86.7 -74.9 153.8 -69.9 -37.4 9.4 13 13 C K > - 0 0 58 70,-3.2 3,-1.5 -2,-0.2 -1,-0.1 -0.328 61.6 -89.7 -51.8 145.2 -67.0 -35.0 9.3 14 14 C P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.368 112.5 20.7 -60.4 141.0 -68.5 -31.4 9.0 15 15 C G T 3 S+ 0 0 93 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.367 102.7 109.8 84.3 -6.9 -69.0 -30.2 5.5 16 16 C M < - 0 0 84 -3,-1.5 -1,-0.3 67,-0.1 2,-0.1 -0.794 54.0-151.8-107.5 147.8 -69.0 -33.7 4.1 17 17 C D - 0 0 64 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.333 36.3 -80.1 -99.6-176.6 -72.0 -35.7 2.7 18 18 C G - 0 0 2 1,-0.2 -1,-0.2 -2,-0.1 110,-0.1 -0.325 58.7 -74.8 -83.2 171.9 -72.4 -39.5 2.7 19 19 C P + 0 0 0 0, 0.0 38,-0.8 0, 0.0 -1,-0.2 -0.283 39.7 179.7 -64.0 152.2 -70.8 -41.9 0.3 20 20 C K B +b 57 0B 105 36,-0.3 2,-0.4 -3,-0.1 38,-0.2 -0.357 25.1 148.5-148.8 55.7 -72.2 -42.1 -3.2 21 21 C V - 0 0 26 36,-2.8 2,-0.2 1,-0.0 58,-0.0 -0.798 41.5-124.6-100.4 135.2 -70.0 -44.8 -4.8 22 22 C K - 0 0 147 -2,-0.4 2,-0.1 1,-0.1 -2,-0.0 -0.561 19.6-110.2 -93.8 148.0 -71.5 -47.0 -7.5 23 23 C Q - 0 0 35 -2,-0.2 -1,-0.1 35,-0.1 109,-0.1 -0.362 19.4-135.3 -72.1 139.0 -71.6 -50.8 -7.6 24 24 C W - 0 0 127 36,-0.3 36,-0.2 1,-0.1 -1,-0.1 -0.707 25.4-139.9 -84.6 147.8 -69.6 -52.9 -10.0 25 25 C P + 0 0 96 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.092 33.9 126.8 -83.3-159.0 -71.7 -55.7 -11.6 26 26 C L + 0 0 130 109,-0.1 5,-0.2 4,-0.0 0, 0.0 -0.815 39.0 16.3 150.9-165.6 -70.7 -59.2 -12.4 27 27 C T >> - 0 0 32 -2,-0.2 4,-1.2 1,-0.2 3,-0.6 0.137 51.7-136.6 -29.0 133.2 -70.9 -63.0 -12.4 28 28 C E H 3> S+ 0 0 92 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.241 104.5 66.1 -89.0 17.9 -74.4 -64.1 -11.5 29 29 C E H 34 S+ 0 0 127 2,-0.2 -1,-0.2 4,-0.0 5,-0.2 0.633 99.6 49.6 -97.4 -27.7 -72.7 -66.7 -9.3 30 30 C K H <> S+ 0 0 48 -3,-0.6 4,-1.5 1,-0.1 -2,-0.2 0.848 107.3 56.1 -69.5 -38.4 -71.3 -63.9 -7.1 31 31 C I H X S+ 0 0 21 -4,-1.2 4,-3.3 -5,-0.2 5,-0.2 0.931 102.3 60.7 -62.9 -50.0 -74.9 -62.5 -7.0 32 32 C K H < S+ 0 0 148 -4,-0.6 2,-3.3 2,-0.2 -3,-0.0 -0.299 109.6 32.0 -55.7 167.0 -76.1 -65.9 -5.6 33 33 C A H > S+ 0 0 9 1,-0.3 4,-4.0 38,-0.0 5,-0.4 -0.289 116.8 60.7 71.6 -61.1 -74.3 -66.4 -2.4 34 34 C L H X S+ 0 0 8 -2,-3.3 4,-3.9 -4,-1.5 -1,-0.3 0.996 109.0 41.9 -52.3 -60.6 -74.3 -62.6 -1.9 35 35 C V H X S+ 0 0 52 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.850 118.5 47.5 -58.2 -33.9 -78.1 -62.8 -1.9 36 36 C E H > S+ 0 0 110 -5,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.995 114.3 43.7 -68.4 -62.6 -77.8 -65.9 0.3 37 37 C I H X S+ 0 0 21 -4,-4.0 4,-2.7 1,-0.2 -2,-0.2 0.901 116.7 51.1 -45.0 -46.0 -75.4 -64.5 2.7 38 38 C C H X S+ 0 0 1 -4,-3.9 4,-2.5 -5,-0.4 5,-0.2 0.961 106.8 49.0 -62.9 -52.9 -77.4 -61.3 2.7 39 39 C T H X S+ 0 0 68 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.915 112.7 51.5 -54.4 -41.7 -80.8 -62.9 3.3 40 40 C E H X S+ 0 0 95 -4,-2.6 4,-1.1 1,-0.2 3,-0.4 0.966 109.7 47.7 -56.3 -57.4 -79.2 -64.8 6.2 41 41 C M H <>S+ 0 0 8 -4,-2.7 5,-1.1 1,-0.2 6,-0.7 0.842 111.6 51.7 -48.4 -39.4 -77.7 -61.6 7.7 42 42 C E H ><5S+ 0 0 74 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.840 102.4 59.5 -72.2 -33.8 -81.2 -59.9 7.3 43 43 C K H 3<5S+ 0 0 167 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.787 107.0 48.1 -59.3 -30.5 -82.8 -62.8 9.1 44 44 C E T 3<5S- 0 0 88 -4,-1.1 -42,-0.3 -3,-0.4 -1,-0.2 0.285 116.5-109.3-102.0 10.2 -80.6 -62.0 12.2 45 45 C G T < 5S+ 0 0 24 -3,-1.2 -3,-0.2 2,-0.3 -4,-0.1 0.184 86.3 116.1 87.8 -15.9 -81.2 -58.2 12.3 46 46 C K S - 0 0 32 -2,-0.2 3,-2.6 1,-0.1 93,-0.0 -0.854 32.7-122.4 -99.5 125.6 -86.3 -48.0 0.1 52 52 C P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.393 99.4 88.4 -40.3 -7.3 -84.7 -46.4 -3.0 53 53 C E T 3 + 0 0 179 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.854 66.7 98.2 -60.2 -33.7 -85.3 -43.0 -1.4 54 54 C N < - 0 0 19 -3,-2.6 -4,-0.0 1,-0.1 73,-0.0 -0.444 60.3-166.5 -62.7 116.0 -81.9 -43.6 0.1 55 55 C P + 0 0 72 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.445 53.3 93.7 -84.4 -8.0 -79.3 -41.7 -2.0 56 56 C Y + 0 0 27 70,-0.3 2,-0.3 -36,-0.1 -36,-0.3 -0.597 45.5 175.5-100.6 149.1 -76.1 -43.3 -0.6 57 57 C N B -b 20 0B 8 -38,-0.8 -36,-2.8 -2,-0.2 73,-0.2 -0.993 13.5-177.6-151.9 147.4 -74.1 -46.3 -1.8 58 58 C T - 0 0 0 71,-1.0 73,-0.5 -2,-0.3 19,-0.1 -0.989 39.9 -97.3-141.3 144.6 -70.9 -48.1 -1.0 59 59 C P - 0 0 1 0, 0.0 17,-2.0 0, 0.0 2,-0.3 -0.183 28.0-155.1 -78.3 160.6 -69.6 -51.2 -3.0 60 60 C V E -E 75 0D 3 71,-0.2 2,-0.3 15,-0.2 -36,-0.3 -0.920 11.8-175.7-128.4 150.7 -70.0 -54.9 -2.3 61 61 C F E -E 74 0D 22 13,-0.8 13,-2.3 -2,-0.3 2,-0.4 -0.926 20.7-134.7-145.0 164.5 -67.8 -57.8 -3.4 62 62 C A E +E 73 0D 18 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.991 32.1 177.2-129.0 130.3 -67.6 -61.6 -3.3 63 63 C I + 0 0 46 9,-2.5 3,-0.3 -2,-0.4 227,-0.0 -0.593 43.2 40.9-129.0 176.2 -64.3 -63.3 -2.5 64 64 C K - 0 0 111 1,-0.2 2,-0.7 -2,-0.2 -1,-0.2 0.927 68.8-142.0 45.5 69.1 -62.6 -66.6 -1.9 65 65 C K - 0 0 118 -3,-0.1 -1,-0.2 2,-0.1 6,-0.2 -0.485 58.4 -60.8 -60.4 104.7 -64.2 -68.6 -4.7 66 66 C K S > S+ 0 0 110 4,-1.8 3,-1.5 -2,-0.7 -3,-0.0 -0.301 74.5 151.5 51.5-118.8 -64.6 -72.0 -2.9 67 67 C D T 3 S- 0 0 110 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.810 100.6 -60.2 66.3 29.5 -61.1 -73.1 -2.0 68 68 C S T 3 S+ 0 0 132 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.666 133.9 98.9 64.4 15.5 -62.6 -75.0 0.9 69 69 C T S < S- 0 0 66 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 -0.397 73.6-149.4-127.0 54.3 -63.7 -71.4 1.8 70 70 C K - 0 0 118 -5,-0.1 -4,-1.8 1,-0.0 -1,-0.3 0.279 49.4 -71.6 12.2-113.1 -67.3 -71.4 0.5 71 71 C W - 0 0 44 -6,-0.2 -8,-0.1 -3,-0.1 -1,-0.0 0.556 48.3-165.9-125.6 -81.7 -67.7 -67.7 -0.4 72 72 C R - 0 0 118 -10,-0.1 -9,-2.5 -39,-0.1 2,-0.1 0.618 23.9-114.8 85.1 122.7 -68.0 -64.6 1.9 73 73 C K E -E 62 0D 15 -11,-0.2 2,-0.3 -40,-0.1 -11,-0.2 -0.367 22.0-151.3 -83.2 165.3 -69.0 -61.0 0.9 74 74 C L E -E 61 0D 35 -13,-2.3 -13,-0.8 -2,-0.1 2,-0.4 -0.858 3.3-160.5-148.3 101.8 -66.7 -58.0 1.1 75 75 C V E -E 60 0D 19 -2,-0.3 2,-1.0 -15,-0.2 -15,-0.2 -0.710 10.8-146.9 -89.3 131.5 -67.8 -54.5 1.7 76 76 C D + 0 0 5 -17,-2.0 3,-0.5 -2,-0.4 4,-0.3 -0.784 25.5 167.2 -97.2 93.6 -65.5 -51.7 0.7 77 77 C F > + 0 0 4 -2,-1.0 4,-3.3 1,-0.2 5,-0.3 0.402 40.1 114.2 -85.1 3.4 -66.0 -48.9 3.2 78 78 C R H > S+ 0 0 50 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.849 80.8 44.5 -43.6 -45.1 -62.9 -46.9 2.2 79 79 C E H > S+ 0 0 47 -3,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.951 115.0 45.8 -69.7 -49.1 -65.1 -44.0 0.9 80 80 C L H >> S+ 0 0 0 -4,-0.3 4,-1.8 1,-0.2 3,-1.5 0.936 108.9 58.8 -54.9 -44.8 -67.5 -43.9 3.9 81 81 C N H 3< S+ 0 0 36 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.874 102.4 51.2 -55.5 -43.0 -64.5 -44.1 6.3 82 82 C K H 3< S+ 0 0 125 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.693 113.4 48.1 -67.0 -17.6 -63.0 -41.0 5.0 83 83 C R H << S+ 0 0 65 -3,-1.5 -70,-3.2 -4,-0.8 -2,-0.2 0.731 93.4 89.6 -96.8 -23.6 -66.3 -39.3 5.5 84 84 C T B < S-A 12 0A 0 -4,-1.8 -72,-0.3 -72,-0.3 -74,-0.0 -0.451 86.3 -93.5 -78.3 148.9 -67.0 -40.4 9.0 85 85 C Q - 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