==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUL-06 2HNY . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.REN,C.E.NICHOLS,A.STAMP,P.P.CHAMBERLAIN,D.K.STAMMERS . 924 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 8 0.9 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 . 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 . 57 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 25.9 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 2 2 3 1 1 0 1 1 1 1 2 2 3 1 0 1 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 . 8 2 8 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 4 A P 0 0 161 0, 0.0 114,-0.1 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 137.0 15.4 -57.7 35.5 2 5 A I - 0 0 31 1,-0.1 158,-0.1 207,-0.1 162,-0.0 -0.043 360.0 -88.9 -54.1 149.3 17.0 -54.6 34.0 3 6 A E - 0 0 142 1,-0.1 2,-0.5 157,-0.1 -1,-0.1 -0.087 40.0-115.7 -56.6 152.0 20.7 -53.9 33.8 4 7 A T - 0 0 48 113,-0.1 -1,-0.1 111,-0.0 113,-0.1 -0.830 21.1-139.5 -97.9 127.6 22.5 -52.2 36.7 5 8 A V - 0 0 13 -2,-0.5 113,-0.6 111,-0.3 2,-0.4 -0.791 21.2-121.8 -90.8 122.2 24.1 -48.8 36.0 6 9 A P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 564,-0.0 -0.461 33.6-172.7 -64.1 114.5 27.5 -48.2 37.7 7 10 A V - 0 0 5 -2,-0.4 2,-0.3 74,-0.0 113,-0.0 -0.796 4.9-178.3-111.5 153.0 27.4 -45.2 40.0 8 11 A K - 0 0 151 -2,-0.3 74,-2.1 564,-0.0 2,-0.2 -0.982 29.0-109.5-148.0 156.3 30.4 -43.6 41.8 9 12 A L B -A 81 0A 23 -2,-0.3 72,-0.3 72,-0.2 3,-0.1 -0.526 53.1 -86.3 -82.3 155.9 31.0 -40.7 44.2 10 13 A K > - 0 0 63 70,-2.7 3,-0.6 -2,-0.2 -1,-0.2 -0.141 68.2 -65.1 -57.5 160.3 32.8 -37.7 42.9 11 14 A P T 3 S- 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.214 114.9 -5.0 -53.0 130.0 36.6 -37.8 43.0 12 15 A G T 3 S+ 0 0 91 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.002 104.5 118.4 76.7 -30.8 38.3 -37.9 46.3 13 16 A M < - 0 0 88 -3,-0.6 2,-0.3 -2,-0.5 -1,-0.2 -0.216 50.8-148.2 -67.4 159.9 35.0 -37.5 48.2 14 17 A D - 0 0 71 1,-0.2 3,-0.1 -3,-0.1 -4,-0.1 -0.780 31.3 -74.7-123.5 166.4 33.6 -40.0 50.6 15 18 A G - 0 0 3 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.013 60.5 -78.2 -58.0 166.1 30.0 -41.1 51.4 16 19 A P - 0 0 0 0, 0.0 38,-2.9 0, 0.0 -1,-0.1 -0.408 35.6-176.2 -72.3 139.1 27.6 -39.0 53.6 17 20 A K B +b 54 0B 128 36,-0.3 2,-0.5 -2,-0.1 38,-0.2 -0.523 24.5 150.1-132.9 65.4 27.9 -39.0 57.4 18 21 A V - 0 0 47 36,-2.7 2,-0.1 -2,-0.1 3,-0.0 -0.890 45.6-121.8-102.2 123.0 24.9 -36.9 58.6 19 22 A K - 0 0 152 -2,-0.5 2,-0.4 1,-0.1 -2,-0.0 -0.331 27.4-109.5 -64.9 141.1 23.4 -37.8 62.0 20 23 A Q - 0 0 29 36,-0.1 -1,-0.1 35,-0.1 3,-0.1 -0.577 37.3-127.3 -72.5 123.7 19.8 -38.8 62.1 21 24 A W - 0 0 80 -2,-0.4 36,-0.1 1,-0.1 -1,-0.1 -0.299 38.1 -75.2 -70.6 157.9 17.9 -36.0 63.9 22 25 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.246 51.1-161.5 -54.5 131.5 15.5 -36.7 66.9 23 26 A L - 0 0 22 -3,-0.1 5,-0.0 35,-0.1 35,-0.0 -0.963 19.7-112.7-125.5 137.1 12.2 -38.3 66.0 24 27 A T >> - 0 0 72 -2,-0.4 4,-3.5 1,-0.1 3,-1.6 -0.268 28.9-118.1 -61.2 144.4 9.0 -38.6 68.0 25 28 A E H 3> S+ 0 0 95 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.776 119.4 59.4 -54.8 -24.7 8.0 -42.1 69.1 26 29 A E H 3> S+ 0 0 105 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.819 111.7 38.3 -73.3 -31.4 4.9 -41.5 66.9 27 30 A K H <> S+ 0 0 49 -3,-1.6 4,-2.2 2,-0.2 5,-0.3 0.871 110.1 58.8 -84.9 -41.4 7.2 -41.1 64.0 28 31 A I H X S+ 0 0 4 -4,-3.5 4,-2.2 1,-0.2 5,-0.2 0.947 109.9 47.0 -50.3 -49.4 9.7 -43.8 65.0 29 32 A K H X S+ 0 0 126 -4,-1.9 4,-1.8 1,-0.2 3,-0.2 0.972 110.4 48.2 -55.4 -64.3 6.7 -46.2 64.9 30 33 A A H X S+ 0 0 11 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.766 113.0 50.8 -50.0 -31.7 5.3 -45.1 61.5 31 34 A L H X S+ 0 0 0 -4,-2.2 4,-4.3 2,-0.2 5,-0.3 0.921 106.9 51.0 -74.1 -47.3 8.7 -45.3 59.9 32 35 A V H X S+ 0 0 46 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.805 112.4 49.7 -59.6 -29.2 9.5 -48.8 61.2 33 36 A E H X S+ 0 0 118 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.928 115.5 41.3 -74.2 -47.2 6.2 -49.9 59.7 34 37 A I H X S+ 0 0 37 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.925 121.0 43.5 -65.8 -47.2 6.9 -48.3 56.4 35 38 A C H X S+ 0 0 0 -4,-4.3 4,-1.8 2,-0.2 5,-0.2 0.937 108.8 54.7 -65.9 -50.6 10.5 -49.5 56.4 36 39 A T H X S+ 0 0 62 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.2 0.829 111.2 48.8 -52.8 -32.4 9.8 -53.0 57.6 37 40 A E H X S+ 0 0 85 -4,-1.2 4,-1.9 2,-0.2 3,-0.3 0.905 109.3 50.9 -72.4 -43.9 7.4 -53.3 54.7 38 41 A M H <>S+ 0 0 18 -4,-1.8 6,-1.3 1,-0.2 5,-0.8 0.696 107.0 55.9 -65.7 -21.8 10.1 -51.9 52.3 39 42 A E H ><5S+ 0 0 53 -4,-1.8 3,-0.7 4,-0.2 -1,-0.2 0.802 105.8 50.8 -80.2 -31.7 12.5 -54.5 53.6 40 43 A K H 3<5S+ 0 0 180 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.1 0.915 107.0 52.6 -71.1 -42.7 10.0 -57.3 52.7 41 44 A E T 3<5S- 0 0 106 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.382 114.9-117.5 -74.9 4.8 9.6 -56.0 49.2 42 45 A G T < 5S+ 0 0 37 -3,-0.7 -3,-0.2 2,-0.2 -4,-0.1 0.366 82.6 121.0 76.8 -4.7 13.4 -56.1 48.8 43 46 A K S - 0 0 45 -2,-0.3 3,-1.4 1,-0.1 -1,-0.1 -0.248 38.9-106.4 -68.7 158.2 25.7 -54.4 59.9 49 52 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.267 105.5 87.9 -68.3 12.9 27.0 -51.6 62.2 50 53 A E T 3 + 0 0 182 1,-0.0 -2,-0.0 2,-0.0 -3,-0.0 0.786 60.9 95.6 -82.1 -29.5 30.1 -51.5 60.0 51 54 A N < - 0 0 20 -3,-1.4 -4,-0.1 1,-0.2 -1,-0.0 -0.512 52.5-172.5 -69.8 104.3 28.6 -48.9 57.7 52 55 A P + 0 0 74 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.494 54.8 101.1 -74.8 -3.4 29.8 -45.5 58.8 53 56 A Y + 0 0 23 70,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.556 46.0 172.3 -88.9 148.5 27.5 -43.7 56.3 54 57 A N B -b 17 0B 14 -38,-2.9 -36,-2.7 -2,-0.2 73,-0.3 -0.953 19.9-169.5-159.3 141.8 24.2 -42.1 57.1 55 58 A T - 0 0 1 71,-1.5 73,-0.5 -2,-0.3 19,-0.1 -0.993 35.0-116.0-126.1 123.8 21.5 -39.9 55.5 56 59 A P - 0 0 5 0, 0.0 17,-2.4 0, 0.0 2,-0.3 -0.293 29.7-170.0 -65.9 146.9 18.8 -38.4 57.7 57 60 A V E +E 72 0D 0 71,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.943 7.8 172.1-131.6 150.6 15.2 -39.4 57.2 58 61 A F E -E 71 0D 56 13,-2.6 13,-2.6 -2,-0.3 2,-0.4 -0.910 28.8-100.8-148.7 175.3 12.0 -37.9 58.6 59 62 A A E -E 70 0D 8 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.875 21.4-167.9-116.7 142.3 8.3 -38.3 58.2 60 63 A I E -E 69 0D 50 9,-2.8 9,-4.1 -2,-0.4 2,-0.8 -0.876 21.1-133.2-116.8 148.1 5.7 -36.3 56.4 61 64 A K - 0 0 92 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.871 17.9-143.1-106.4 100.5 1.9 -36.7 56.8 62 65 A K - 0 0 120 -2,-0.8 2,-0.6 5,-0.3 3,-0.3 -0.502 37.9-102.2 -63.8 109.4 0.3 -36.8 53.3 63 66 A K S S+ 0 0 221 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 -0.045 101.8 81.3 -40.5 86.2 -2.9 -34.9 53.9 64 67 A D S S- 0 0 150 1,-0.6 -1,-0.2 -2,-0.6 -3,-0.0 -0.087 97.8 -28.1-151.8-100.5 -5.1 -37.9 54.1 65 68 A S S S- 0 0 65 -3,-0.3 -1,-0.6 2,-0.1 0, 0.0 0.131 80.3 -73.2-105.9-141.7 -5.2 -39.8 57.4 66 69 A T S S+ 0 0 87 -3,-0.1 -4,-0.0 2,-0.1 -3,-0.0 0.694 92.6 116.6 -91.5 -26.9 -2.8 -40.3 60.2 67 70 A K - 0 0 129 1,-0.1 -5,-0.3 -6,-0.1 2,-0.2 -0.086 60.6-136.0 -45.5 136.0 -0.7 -42.6 58.1 68 71 A W - 0 0 31 -7,-0.2 2,-0.4 -38,-0.1 -7,-0.2 -0.659 5.9-140.5-102.8 157.6 2.8 -41.2 57.5 69 72 A R E -E 60 0D 90 -9,-4.1 -9,-2.8 -2,-0.2 2,-0.4 -0.893 21.5-124.0-114.3 141.7 5.0 -40.9 54.4 70 73 A K E -E 59 0D 29 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.736 24.8-173.9 -90.7 131.1 8.8 -41.4 54.5 71 74 A L E -E 58 0D 51 -13,-2.6 -13,-2.6 -2,-0.4 2,-0.5 -0.980 6.0-163.1-127.7 120.5 11.1 -38.7 53.3 72 75 A V E -E 57 0D 14 -2,-0.5 2,-0.8 76,-0.3 -15,-0.2 -0.889 15.1-139.4-104.7 129.5 14.8 -39.2 53.0 73 76 A D + 0 0 30 -17,-2.4 3,-0.3 -2,-0.5 4,-0.2 -0.788 26.5 170.5 -91.0 106.0 17.0 -36.1 52.6 74 77 A F > + 0 0 4 -2,-0.8 4,-3.9 1,-0.2 5,-0.3 0.205 37.8 117.5-101.7 15.8 19.8 -36.8 50.1 75 78 A R H > S+ 0 0 169 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 83.4 43.0 -47.3 -49.5 21.2 -33.3 49.7 76 79 A E H > S+ 0 0 56 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.928 115.2 46.3 -66.0 -47.3 24.6 -34.6 51.0 77 80 A L H > S+ 0 0 0 1,-0.2 4,-0.8 -4,-0.2 3,-0.4 0.925 113.3 52.1 -61.1 -40.6 24.7 -37.8 49.1 78 81 A N H >< S+ 0 0 41 -4,-3.9 3,-0.7 1,-0.2 -1,-0.2 0.886 105.3 54.3 -62.4 -37.6 23.6 -35.8 46.0 79 82 A K H 3< S+ 0 0 126 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.817 114.6 42.4 -62.8 -31.3 26.5 -33.3 46.6 80 83 A R H 3< S+ 0 0 70 -4,-1.5 -70,-2.7 -3,-0.4 2,-0.3 0.442 95.6 97.7 -96.8 -2.7 28.8 -36.3 46.6 81 84 A T B << S-A 9 0A 0 -4,-0.8 -72,-0.2 -3,-0.7 3,-0.1 -0.674 78.8-103.0 -92.8 144.1 27.4 -38.2 43.7 82 85 A Q - 0 0 32 -74,-2.1 2,-0.3 -2,-0.3 -1,-0.1 0.012 40.0 -98.6 -55.1 163.5 28.7 -38.1 40.1 83 86 A D - 0 0 71 489,-0.1 2,-0.2 3,-0.0 -1,-0.1 -0.637 40.7-152.0 -85.2 146.7 27.0 -36.1 37.4 84 87 A F - 0 0 21 -2,-0.3 2,-0.8 489,-0.1 488,-0.2 -0.690 36.3 -75.2-114.6 169.7 24.8 -38.1 35.1 85 88 A W - 0 0 60 486,-2.8 490,-0.1 -2,-0.2 488,-0.0 -0.557 69.4-103.0 -67.4 109.6 23.8 -37.6 31.5 86 89 A E - 0 0 104 -2,-0.8 3,-0.3 488,-0.2 -1,-0.1 0.057 37.2-111.7 -36.2 130.7 21.3 -34.8 32.0 87 90 A V - 0 0 52 1,-0.2 -1,-0.1 2,-0.1 68,-0.1 -0.116 64.0 -48.7 -62.4 164.4 17.7 -35.9 31.8 88 91 A Q + 0 0 46 1,-0.2 -1,-0.2 67,-0.0 -2,-0.0 -0.069 64.0 170.2 -37.3 96.9 15.5 -34.8 28.9 89 92 A L + 0 0 122 -3,-0.3 2,-0.2 -2,-0.1 -1,-0.2 0.900 59.9 60.0 -82.9 -41.6 16.2 -31.0 28.9 90 93 A G - 0 0 28 564,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.533 69.8-158.9 -86.9 152.2 14.5 -30.4 25.6 91 94 A I - 0 0 62 -2,-0.2 561,-0.1 89,-0.0 2,-0.1 -0.899 24.1 -99.6-127.5 158.0 10.8 -31.0 24.9 92 95 A P - 0 0 9 0, 0.0 559,-0.1 0, 0.0 287,-0.1 -0.380 28.2-131.1 -73.0 150.3 8.7 -31.5 21.8 93 96 A H > - 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0 0 4 74,-2.2 3,-0.6 -2,-0.3 2,-0.3 -0.897 15.4-155.7-111.4 108.9 3.9 -45.1 36.0 109 112 A G B 3 S+H 212 0F 28 103,-2.7 103,-1.1 -2,-0.7 -2,-0.0 -0.605 71.6 10.7 -88.6 143.0 3.7 -45.9 39.7 110 113 A D T 3> S+ 0 0 89 -2,-0.3 4,-0.7 101,-0.1 -1,-0.2 0.920 78.7 161.7 60.1 45.6 6.6 -47.0 41.9 111 114 A A T X4 S+ 0 0 5 -3,-0.6 3,-1.3 2,-0.2 35,-0.1 0.982 72.9 31.4 -58.1 -66.3 8.9 -46.1 39.1 112 115 A Y G >4 S+ 0 0 28 1,-0.3 3,-1.7 2,-0.2 34,-0.8 0.815 110.7 70.7 -63.3 -32.7 12.2 -45.8 41.0 113 116 A F G 34 S+ 0 0 58 1,-0.3 -1,-0.3 32,-0.1 -2,-0.2 0.674 98.6 48.3 -58.4 -21.8 10.9 -48.5 43.4 114 117 A S G << S+ 0 0 39 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.118 93.2 90.5-109.1 20.6 11.2 -51.1 40.7 115 118 A V S < S- 0 0 8 -3,-1.7 31,-2.4 31,-0.2 42,-0.1 -0.946 73.4-122.3-126.5 117.1 14.8 -50.3 39.5 116 119 A P B -I 145 0G 37 0, 0.0 2,-0.4 0, 0.0 29,-0.3 0.090 19.4-139.9 -45.4 156.1 18.0 -51.9 40.9 117 120 A L - 0 0 2 27,-1.7 5,-0.2 28,-0.1 -113,-0.1 -0.992 34.6 -92.3-125.5 133.2 20.8 -49.8 42.4 118 121 A D >> - 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