==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/HYDROLASE 24-AUG-09 3IRX . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 . AUTHOR W.C.HO,E.ARNOLD . 971 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 13.7 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 0.8 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 . 58 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 7 0 1 1 2 0 1 0 2 0 2 2 2 2 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 1 5 3 3 2 4 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 3 2 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 0 A V 0 0 180 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.5 -73.0 -27.3 -62.2 2 1 A P - 0 0 130 0, 0.0 2,-0.3 0, 0.0 212,-0.1 -0.479 360.0-153.1 -64.1 111.2 -72.6 -23.5 -62.7 3 2 A I - 0 0 101 -2,-0.6 210,-0.2 210,-0.1 209,-0.1 -0.629 13.7-127.3 -82.8 142.2 -69.3 -22.7 -60.9 4 3 A S - 0 0 56 208,-1.8 -1,-0.0 -2,-0.3 0, 0.0 -0.660 27.7-106.7 -89.9 149.3 -69.1 -19.1 -59.7 5 4 A P - 0 0 110 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.162 21.0-116.5 -70.6 165.9 -66.1 -16.9 -60.6 6 5 A I - 0 0 16 112,-0.2 158,-0.1 207,-0.1 207,-0.0 -0.886 42.4-112.0-104.4 100.9 -63.3 -15.7 -58.4 7 6 A E - 0 0 143 -2,-0.8 2,-0.3 1,-0.1 -1,-0.0 0.112 33.3-119.7 -31.6 136.0 -63.5 -11.9 -58.2 8 7 A T - 0 0 61 113,-0.1 -1,-0.1 111,-0.0 113,-0.1 -0.622 15.6-132.7 -86.6 146.4 -60.6 -10.2 -60.0 9 8 A V - 0 0 21 111,-0.3 113,-0.2 -2,-0.3 151,-0.0 -0.857 22.6-124.6-101.7 108.9 -58.2 -8.0 -58.1 10 9 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 599,-0.0 -0.292 35.3-170.1 -54.6 126.3 -57.5 -4.7 -59.9 11 10 A V - 0 0 11 75,-0.0 2,-0.3 -2,-0.0 113,-0.0 -0.744 9.7-174.4-116.8 163.8 -53.7 -4.3 -60.3 12 11 A K - 0 0 151 -2,-0.2 74,-1.9 597,-0.0 2,-0.1 -0.988 23.7-115.6-156.5 154.0 -51.4 -1.4 -61.5 13 12 A L B -A 85 0A 24 -2,-0.3 72,-0.3 72,-0.2 3,-0.1 -0.483 57.6 -70.1 -86.6 161.8 -47.7 -0.7 -62.3 14 13 A K > - 0 0 76 70,-1.2 3,-2.0 -2,-0.1 2,-0.2 -0.202 66.9 -89.8 -53.2 139.8 -45.7 1.8 -60.3 15 14 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.355 111.3 11.0 -58.0 116.1 -46.8 5.4 -60.8 16 15 A G T 3 S+ 0 0 89 1,-0.4 2,-0.2 -2,-0.2 -2,-0.1 0.269 105.8 106.6 99.8 -11.2 -45.0 7.0 -63.7 17 16 A M < - 0 0 84 -3,-2.0 -1,-0.4 67,-0.1 2,-0.2 -0.594 56.2-140.0 -99.5 164.2 -43.4 3.8 -65.0 18 17 A D - 0 0 77 1,-0.2 -4,-0.1 -2,-0.2 3,-0.1 -0.647 28.7 -80.0-117.6 173.5 -44.2 1.7 -68.1 19 18 A G - 0 0 3 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.038 61.0 -77.9 -64.6 173.3 -44.5 -1.9 -69.0 20 19 A P - 0 0 1 0, 0.0 38,-0.7 0, 0.0 -1,-0.1 -0.378 34.7-175.1 -76.1 152.6 -41.5 -4.1 -69.8 21 20 A K B +b 58 0B 115 36,-0.2 2,-0.3 -3,-0.1 38,-0.1 -0.301 26.0 151.4-142.9 53.7 -39.6 -4.0 -73.1 22 21 A V - 0 0 50 36,-1.5 2,-0.0 1,-0.1 0, 0.0 -0.647 41.3-118.6 -92.3 146.7 -37.0 -6.8 -72.9 23 22 A K - 0 0 123 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.259 29.2-106.3 -75.3 165.6 -35.7 -8.7 -75.9 24 23 A Q - 0 0 37 36,-0.1 -1,-0.1 35,-0.1 109,-0.1 -0.709 26.7-120.6 -96.2 145.3 -36.0 -12.5 -76.5 25 24 A W - 0 0 123 -2,-0.3 2,-0.8 36,-0.2 36,-0.1 -0.720 31.2-110.7 -86.7 129.2 -33.1 -15.0 -76.1 26 25 A P - 0 0 113 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.419 42.7-158.7 -61.0 101.2 -32.2 -17.1 -79.2 27 26 A L - 0 0 34 -2,-0.8 2,-0.2 1,-0.1 35,-0.0 -0.338 15.3-104.8 -82.8 163.0 -33.3 -20.6 -78.3 28 27 A T > - 0 0 65 1,-0.1 4,-2.0 -2,-0.1 3,-0.2 -0.483 34.0-105.1 -84.7 157.7 -32.2 -24.0 -79.8 29 28 A E H > S+ 0 0 116 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.799 117.7 49.6 -50.8 -39.5 -34.3 -26.1 -82.1 30 29 A E H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.935 108.1 53.1 -67.6 -47.9 -35.2 -28.7 -79.5 31 30 A K H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.916 104.1 55.8 -53.7 -49.4 -36.3 -26.2 -76.9 32 31 A I H X S+ 0 0 9 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.840 104.2 54.1 -55.0 -36.3 -38.7 -24.4 -79.3 33 32 A K H X S+ 0 0 118 -4,-1.0 4,-1.9 -3,-0.5 -1,-0.3 0.879 109.8 49.0 -65.5 -37.2 -40.5 -27.7 -80.0 34 33 A A H X S+ 0 0 10 -4,-1.5 4,-2.9 -3,-0.5 -2,-0.2 0.977 111.3 47.1 -63.9 -57.6 -41.0 -28.1 -76.3 35 34 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.844 111.9 50.5 -54.6 -40.2 -42.3 -24.6 -75.8 36 35 A V H X S+ 0 0 63 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.925 111.2 49.0 -66.5 -42.0 -44.7 -24.9 -78.7 37 36 A E H >X S+ 0 0 132 -4,-1.9 4,-1.2 -5,-0.2 3,-0.8 0.957 115.6 43.8 -59.2 -51.6 -46.0 -28.2 -77.3 38 37 A I H >X S+ 0 0 18 -4,-2.9 4,-2.1 1,-0.2 3,-0.8 0.974 110.5 52.2 -57.0 -62.0 -46.5 -26.7 -73.8 39 38 A C H 3X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.599 103.9 64.0 -53.6 -12.1 -48.1 -23.4 -74.9 40 39 A T H S+ 0 0 23 -4,-2.1 4,-1.9 1,-0.3 6,-0.9 0.819 103.8 51.4 -55.5 -33.4 -52.0 -24.3 -71.9 43 42 A E H <5S+ 0 0 54 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.851 109.1 51.9 -73.0 -31.5 -54.0 -22.3 -74.4 44 43 A K H <5S+ 0 0 157 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.970 108.9 48.5 -66.2 -54.5 -56.6 -25.0 -74.4 45 44 A E H <5S- 0 0 123 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.930 118.6-107.0 -51.2 -53.3 -57.0 -25.0 -70.6 46 45 A G T <5S+ 0 0 32 -4,-1.9 -3,-0.1 -5,-0.2 -1,-0.1 0.132 85.0 119.9 141.8 -16.9 -57.3 -21.2 -70.4 47 46 A K S - 0 0 111 -2,-0.7 3,-0.7 5,-0.2 -2,-0.0 -0.331 39.7-103.1 -52.0 115.0 -35.0 -31.1 -64.9 67 66 A K T 3 S+ 0 0 173 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.084 103.9 11.7 -44.3 137.9 -32.0 -33.5 -65.0 68 67 A D T 3 S+ 0 0 174 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.899 110.1 104.7 54.7 44.3 -33.0 -37.2 -64.9 69 68 A S < - 0 0 44 -3,-0.7 -1,-0.2 2,-0.1 2,-0.1 -0.963 69.7-119.8-153.5 134.6 -36.6 -36.2 -65.6 70 69 A T S S+ 0 0 145 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.393 72.7 13.4 -77.0 153.7 -38.7 -36.5 -68.7 71 70 A K S S- 0 0 134 -2,-0.1 2,-0.2 -6,-0.1 -5,-0.2 0.074 76.6-109.9 69.9 173.1 -40.4 -33.6 -70.5 72 71 A W - 0 0 48 -7,-0.1 2,-0.3 -38,-0.1 -7,-0.2 -0.706 13.6-140.9-128.9-179.1 -39.6 -29.8 -69.9 73 72 A R E -F 64 0D 165 -9,-1.4 -9,-1.8 -2,-0.2 -38,-0.1 -0.974 21.9-120.0-150.0 132.5 -41.3 -26.8 -68.4 74 73 A K E -F 63 0D 29 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.3 -0.354 20.6-158.7 -70.9 154.1 -41.2 -23.2 -69.6 75 74 A L E -F 62 0D 85 -13,-2.6 -13,-1.6 -2,-0.0 2,-0.2 -0.833 3.3-158.6-139.5 98.4 -39.9 -20.5 -67.4 76 75 A V E -F 61 0D 10 -2,-0.4 2,-0.9 -15,-0.2 -15,-0.2 -0.533 14.6-135.5 -77.5 140.8 -40.9 -16.9 -68.0 77 76 A D + 0 0 38 -17,-2.2 3,-0.5 -2,-0.2 4,-0.2 -0.790 29.9 167.9-102.1 96.3 -38.6 -14.2 -66.6 78 77 A F > + 0 0 5 -2,-0.9 4,-3.0 1,-0.2 5,-0.3 0.256 38.5 121.1 -89.6 14.0 -40.6 -11.5 -65.0 79 78 A R H > S+ 0 0 153 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.841 82.6 39.5 -43.7 -41.6 -37.5 -9.9 -63.3 80 79 A E H 4 S+ 0 0 55 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.865 113.2 52.5 -80.0 -39.1 -38.3 -6.7 -65.2 81 80 A L H >4 S+ 0 0 0 -4,-0.2 3,-1.2 1,-0.2 -2,-0.2 0.846 106.8 55.2 -66.0 -33.8 -42.1 -6.7 -64.8 82 81 A N H >< S+ 0 0 40 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.911 100.9 57.4 -64.4 -42.7 -41.7 -7.2 -61.1 83 82 A K T 3< S+ 0 0 122 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.405 112.0 44.4 -69.5 4.2 -39.6 -4.1 -60.8 84 83 A R T < S+ 0 0 62 -3,-1.2 -70,-1.2 -4,-0.1 2,-0.3 0.137 92.9 97.9-132.9 15.1 -42.5 -2.1 -62.3 85 84 A T B < S-A 13 0A 0 -3,-1.8 -72,-0.2 -72,-0.3 -3,-0.0 -0.789 74.5-107.7-106.9 152.4 -45.4 -3.5 -60.4 86 85 A Q - 0 0 35 -74,-1.9 2,-0.3 -2,-0.3 -1,-0.1 0.042 41.8 -89.9 -64.8-178.2 -47.1 -1.9 -57.4 87 86 A D - 0 0 61 522,-0.2 2,-0.3 -74,-0.1 -1,-0.1 -0.676 35.2-154.8 -98.2 152.1 -46.7 -3.2 -53.8 88 87 A F - 0 0 15 -2,-0.3 2,-1.5 523,-0.1 521,-0.2 -0.898 30.4-100.8-126.1 155.2 -49.0 -5.7 -52.1 89 88 A W - 0 0 50 519,-1.9 2,-1.0 -2,-0.3 521,-0.1 -0.570 37.8-149.5 -74.7 90.5 -49.8 -6.4 -48.4 90 89 A E + 0 0 84 -2,-1.5 3,-0.2 1,-0.2 -1,-0.1 -0.492 24.4 172.9 -66.9 101.4 -47.6 -9.4 -47.7 91 90 A V + 0 0 49 -2,-1.0 2,-0.2 1,-0.2 -1,-0.2 0.287 62.5 89.1 -90.0 8.8 -49.6 -11.3 -45.1 92 91 A Q + 0 0 80 604,-0.1 2,-0.8 3,-0.0 -1,-0.2 -0.276 53.9 133.4 -99.2 45.2 -47.0 -14.1 -45.5 93 92 A L - 0 0 92 -2,-0.2 -2,-0.0 -3,-0.2 0, 0.0 -0.847 69.5 -22.1-101.5 105.0 -44.7 -12.6 -42.8 94 93 A G - 0 0 50 -2,-0.8 -1,-0.1 2,-0.0 0, 0.0 0.443 69.8-115.2 75.2 144.0 -43.5 -15.3 -40.3 95 94 A I - 0 0 55 1,-0.2 599,-0.1 -3,-0.1 598,-0.1 -0.603 35.1 -83.1-108.9 169.9 -45.1 -18.7 -39.6 96 95 A P - 0 0 8 0, 0.0 -1,-0.2 0, 0.0 597,-0.1 -0.024 39.9-121.0 -60.7 171.4 -46.7 -20.2 -36.4 97 96 A H > - 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0 0 6 27,-1.3 2,-0.3 -113,-0.1 5,-0.1 -0.632 36.9 -77.8-107.4 167.3 -55.8 -12.2 -63.5 122 121 A D >> - 0 0 20 -113,-0.2 3,-1.4 -2,-0.2 4,-1.1 -0.513 37.1-140.2 -69.1 131.3 -56.7 -8.5 -63.9 123 122 A E H >> S+ 0 0 108 1,-0.3 3,-0.9 -2,-0.3 4,-0.5 0.941 99.2 51.8 -56.2 -54.7 -58.0 -7.9 -67.5 124 123 A D H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.182 112.7 48.4 -73.0 21.7 -56.3 -4.6 -68.0 125 124 A F H X4 S+ 0 0 3 -3,-1.4 3,-2.8 -113,-0.1 4,-0.3 0.511 81.6 87.3-131.0 -21.4 -53.0 -6.1 -66.9 126 125 A R H X< S+ 0 0 48 -4,-1.1 3,-2.4 -3,-0.9 21,-0.5 0.847 78.7 71.1 -50.2 -35.9 -52.8 -9.3 -69.0 127 126 A K T 3< S+ 0 0 95 -4,-0.5 3,-0.4 1,-0.3 -1,-0.3 0.530 91.0 60.5 -61.9 -3.4 -51.2 -7.2 -71.7 128 127 A Y T < S+ 0 0 33 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.563 91.7 64.9-101.0 -8.3 -48.1 -6.9 -69.5 129 128 A T S < S+ 0 0 1 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.1 0.078 73.7 141.3 -99.6 25.3 -47.4 -10.6 -69.4 130 129 A A + 0 0 0 -3,-0.4 -71,-1.4 16,-0.2 2,-0.3 -0.410 22.5 171.6 -72.2 141.8 -46.7 -10.9 -73.1 131 130 A F E -dE 59 145C 0 14,-2.3 14,-2.0 -73,-0.3 2,-0.4 -0.986 22.9-130.4-147.3 155.4 -43.9 -13.2 -74.4 132 131 A T E - 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