==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUN-10 3NBP . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 GR . AUTHOR S.F.HARRIS,A.G.VILLASENOR . 954 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 13.1 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 . 5 0.5 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 . 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 . 51 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 26.3 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+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 0 2 3 1 1 1 0 1 1 2 3 2 1 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 5 0 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 . 7 2 7 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 4 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 A P 0 0 77 0, 0.0 2,-0.8 0, 0.0 212,-0.1 0.000 360.0 360.0 360.0 144.9 26.8 73.2 30.4 2 2 A I - 0 0 62 42,-0.1 114,-0.2 114,-0.1 209,-0.1 -0.850 360.0-114.7 -95.5 110.9 25.1 69.8 30.5 3 3 A S - 0 0 4 112,-3.1 208,-0.2 -2,-0.8 207,-0.1 -0.014 7.7-132.9 -41.6 137.6 25.4 68.4 26.9 4 4 A P + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.690 68.7 126.7 -67.1 -18.4 22.2 67.9 24.9 5 5 A I S S- 0 0 16 205,-0.2 156,-0.1 1,-0.1 205,-0.0 0.026 72.5 -97.9 -38.4 134.7 23.6 64.4 24.0 6 6 A E - 0 0 145 1,-0.1 2,-0.2 155,-0.1 -1,-0.1 -0.297 43.7-102.8 -63.2 143.8 21.3 61.5 24.8 7 7 A T - 0 0 46 -3,-0.1 111,-0.1 111,-0.1 -1,-0.1 -0.491 25.3-122.8 -71.5 140.0 21.9 59.6 28.0 8 8 A V - 0 0 16 109,-0.4 111,-0.6 -2,-0.2 2,-0.1 -0.710 35.0-117.9 -75.6 120.8 23.7 56.2 28.0 9 9 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 596,-0.1 -0.449 36.2-169.2 -64.7 131.4 21.2 53.8 29.8 10 10 A V - 0 0 9 -2,-0.1 2,-0.3 72,-0.0 595,-0.0 -0.940 7.8-176.0-123.5 146.9 22.8 52.4 32.9 11 11 A K - 0 0 157 -2,-0.3 72,-1.5 594,-0.1 2,-0.1 -0.836 27.7-108.5-130.0 168.9 21.6 49.5 35.2 12 12 A L B -A 82 0A 23 -2,-0.3 70,-0.3 70,-0.2 72,-0.1 -0.372 54.1 -73.9 -89.3 178.4 22.8 48.0 38.4 13 13 A K > - 0 0 57 68,-3.7 3,-1.7 70,-0.1 -1,-0.1 -0.526 66.9 -88.6 -71.3 138.4 24.5 44.5 38.6 14 14 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.269 113.5 16.8 -54.5 134.1 21.9 41.7 38.2 15 15 A G T 3 S+ 0 0 92 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.537 107.9 108.2 80.5 12.4 20.3 40.6 41.4 16 16 A M < - 0 0 93 -3,-1.7 2,-0.3 65,-0.1 -1,-0.3 -0.899 52.6-153.4-122.7 151.5 21.5 43.8 43.2 17 17 A D - 0 0 69 -2,-0.3 3,-0.1 1,-0.2 -4,-0.1 -0.798 38.3 -78.1-117.0 158.9 19.8 47.0 44.6 18 18 A G - 0 0 1 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.168 57.3 -76.1 -52.9 164.7 21.4 50.5 45.1 19 19 A P - 0 0 0 0, 0.0 38,-1.2 0, 0.0 -1,-0.1 -0.401 35.8-178.9 -70.4 140.5 23.7 51.7 47.9 20 20 A K B +b 57 0B 127 36,-0.3 2,-0.3 -3,-0.1 38,-0.2 -0.444 25.1 159.1-134.0 54.4 22.1 52.5 51.2 21 21 A V - 0 0 47 36,-2.6 2,-0.4 1,-0.1 0, 0.0 -0.641 41.4-118.3 -84.1 135.7 25.3 53.6 53.1 22 22 A K - 0 0 154 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 -0.641 23.6-124.4 -81.6 129.8 25.0 55.8 56.2 23 23 A Q - 0 0 13 -2,-0.4 -1,-0.1 35,-0.1 3,-0.1 -0.606 26.1-130.1 -73.1 118.4 26.5 59.3 56.0 24 24 A W - 0 0 190 -2,-0.5 2,-0.2 36,-0.1 36,-0.1 -0.487 34.4 -92.5 -67.2 138.1 29.1 59.7 58.8 25 25 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.362 50.6-151.8 -59.4 119.8 28.6 63.0 60.9 26 26 A L - 0 0 20 106,-0.2 108,-0.4 -2,-0.2 109,-0.1 -0.552 18.0 -91.5 -94.7 160.4 30.9 65.6 59.3 27 27 A T > - 0 0 66 -2,-0.2 4,-3.3 106,-0.1 5,-0.2 -0.227 33.1-114.6 -66.7 152.0 32.8 68.7 60.8 28 28 A E H > S+ 0 0 131 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.871 119.4 50.4 -56.8 -41.8 31.2 72.2 60.8 29 29 A E H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.957 113.7 45.5 -58.6 -53.1 33.9 73.5 58.4 30 30 A K H > S+ 0 0 42 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.915 114.2 48.0 -56.7 -50.5 33.2 70.5 56.0 31 31 A I H X S+ 0 0 14 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.923 114.3 47.0 -56.9 -48.1 29.3 71.0 56.3 32 32 A K H X S+ 0 0 147 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.858 115.6 46.4 -61.0 -38.9 29.8 74.8 55.6 33 33 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.918 111.8 49.4 -70.5 -46.9 32.1 73.9 52.6 34 34 A L H X S+ 0 0 1 -4,-3.1 4,-3.4 2,-0.2 -2,-0.2 0.868 110.3 49.4 -60.3 -46.4 29.8 71.2 51.1 35 35 A V H X S+ 0 0 45 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.946 112.6 48.0 -61.0 -46.5 26.6 73.4 51.2 36 36 A E H X S+ 0 0 123 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.918 115.6 46.0 -55.4 -47.9 28.5 76.2 49.5 37 37 A I H X S+ 0 0 36 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.897 114.7 46.1 -60.9 -50.8 29.9 73.6 47.0 38 38 A C H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 -2,-0.2 0.851 107.8 56.9 -65.2 -38.5 26.4 72.0 46.4 39 39 A T H X S+ 0 0 47 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.933 107.9 46.8 -58.2 -50.7 24.6 75.4 46.0 40 40 A E H < S+ 0 0 122 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.798 115.7 47.2 -62.4 -32.1 26.9 76.5 43.2 41 41 A M H <>S+ 0 0 20 -4,-1.2 5,-2.0 2,-0.2 6,-0.6 0.842 109.3 53.2 -74.8 -41.1 26.4 73.0 41.5 42 42 A E H ><5S+ 0 0 63 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.913 105.1 54.3 -61.9 -43.8 22.6 73.1 42.0 43 43 A K T 3<5S+ 0 0 164 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.698 109.6 49.4 -63.0 -21.8 22.4 76.5 40.2 44 44 A E T 3 5S- 0 0 106 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.448 114.0-119.8 -98.5 -0.9 24.3 74.9 37.3 45 45 A G T < 5S+ 0 0 27 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.596 79.6 123.1 72.6 15.8 21.8 71.9 37.2 46 46 A K S - 0 0 19 -2,-0.3 3,-1.1 89,-0.1 91,-0.0 -0.313 42.2 -90.1-102.2-173.5 13.1 64.1 49.6 52 52 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.353 108.8 90.5 -84.3 11.1 13.0 61.0 51.9 53 53 A E T 3 S+ 0 0 140 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.766 77.3 73.0 -66.7 -32.0 10.9 59.4 49.1 54 54 A N < - 0 0 18 -3,-1.1 -4,-0.0 1,-0.1 71,-0.0 -0.753 68.7-165.0 -88.0 127.7 14.4 58.2 47.8 55 55 A P + 0 0 75 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.345 52.5 101.1 -99.7 8.8 15.9 55.4 49.9 56 56 A Y - 0 0 23 68,-0.3 2,-0.3 -36,-0.1 -36,-0.3 -0.779 44.6-177.2-102.9 138.0 19.6 55.5 48.6 57 57 A N B -b 20 0B 20 -38,-1.2 -36,-2.6 -2,-0.4 71,-0.2 -0.997 13.2-179.0-141.1 143.4 22.6 57.0 50.2 58 58 A T B -d 128 0C 2 69,-0.7 71,-0.8 -2,-0.3 2,-0.3 -0.974 35.8-111.1-129.6 136.2 26.4 57.6 49.5 59 59 A P - 0 0 22 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.575 28.1-155.9 -77.3 135.2 28.8 59.3 51.9 60 60 A V E -F 73 0D 4 69,-0.4 2,-0.3 -2,-0.3 13,-0.2 -0.718 12.8-177.9-101.3 157.2 30.2 62.7 51.0 61 61 A F E -F 72 0D 90 11,-1.4 11,-2.7 -2,-0.3 2,-0.3 -0.900 14.0-139.1-148.1 166.9 33.5 64.2 52.3 62 62 A A E -F 71 0D 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 15.8-178.5-137.0 147.7 35.6 67.4 52.0 63 63 A I E F 70 0D 87 7,-1.5 7,-2.8 -2,-0.3 -2,-0.0 -0.971 360.0 360.0-143.7 157.1 39.3 68.3 51.6 64 64 A K 0 0 133 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.923 360.0 360.0-108.8 360.0 41.7 71.3 51.4 65 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 66 68 A S 0 0 132 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.9 45.7 75.1 49.6 67 69 A T + 0 0 134 -3,-0.1 2,-0.1 2,-0.1 0, 0.0 0.617 360.0 102.4 -99.6 -22.6 42.6 77.3 50.2 68 70 A K - 0 0 167 1,-0.0 2,-0.4 -4,-0.0 0, 0.0 -0.400 63.2-142.5 -69.1 139.7 40.2 75.4 47.9 69 71 A W - 0 0 72 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.886 15.1-156.7-102.3 130.8 37.6 73.0 49.3 70 72 A R E -F 63 0D 171 -7,-2.8 -7,-1.5 -2,-0.4 2,-0.7 -0.944 13.6-131.0-117.4 133.4 37.0 69.8 47.3 71 73 A K E -F 62 0D 31 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.744 23.8-163.8 -83.9 114.1 33.9 67.7 47.4 72 74 A L E -F 61 0D 80 -11,-2.7 -11,-1.4 -2,-0.7 2,-0.4 -0.867 2.9-167.2-104.3 109.6 34.8 64.0 47.8 73 75 A V E -F 60 0D 18 -2,-0.6 2,-1.1 76,-0.3 -13,-0.2 -0.795 14.7-142.8-100.5 133.9 32.1 61.4 47.1 74 76 A D + 0 0 60 -15,-2.6 3,-0.5 -2,-0.4 4,-0.3 -0.708 28.0 165.9 -96.8 86.9 32.6 57.7 48.2 75 77 A F > + 0 0 3 -2,-1.1 4,-3.4 1,-0.2 5,-0.3 0.446 37.9 118.7 -80.0 2.1 31.2 55.6 45.4 76 78 A R H > S+ 0 0 184 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.802 82.4 37.3 -32.8 -56.9 32.9 52.4 46.7 77 79 A E H > S+ 0 0 54 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.934 117.2 49.1 -67.7 -48.9 29.5 50.7 47.4 78 80 A L H > S+ 0 0 1 -4,-0.3 4,-1.3 1,-0.2 3,-0.4 0.930 109.8 53.0 -57.3 -45.7 27.7 52.0 44.3 79 81 A N H < S+ 0 0 39 -4,-3.4 3,-0.5 1,-0.2 -1,-0.2 0.874 107.6 51.3 -56.5 -40.0 30.7 51.0 42.1 80 82 A K H < S+ 0 0 119 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.856 115.2 44.5 -61.7 -36.3 30.4 47.4 43.5 81 83 A R H < S+ 0 0 74 -4,-1.7 -68,-3.7 -3,-0.4 -1,-0.2 0.576 97.6 92.5 -84.1 -19.5 26.7 47.5 42.7 82 84 A T B < S-A 12 0A 0 -4,-1.3 -70,-0.2 -3,-0.5 -72,-0.0 -0.569 81.0-102.7 -86.7 152.1 27.0 49.0 39.1 83 85 A Q - 0 0 26 -72,-1.5 2,-0.2 -2,-0.2 -70,-0.1 -0.086 39.1-105.1 -56.2 158.5 27.2 47.1 35.8 84 86 A D - 0 0 65 -72,-0.1 2,-0.2 521,-0.1 -1,-0.1 -0.542 37.4-151.5 -83.9 156.1 30.6 46.7 34.1 85 87 A F - 0 0 23 -2,-0.2 520,-0.2 522,-0.1 2,-0.1 -0.747 27.4 -78.1-121.4 174.5 31.2 48.9 31.0 86 88 A W - 0 0 48 518,-1.5 2,-0.3 -2,-0.2 522,-0.1 -0.454 59.4 -91.9 -72.4 144.5 33.3 48.5 27.8 87 89 A E - 0 0 132 520,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.451 33.8-133.9 -61.6 116.2 37.0 49.3 28.1 88 90 A V S S+ 0 0 55 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.862 84.1 5.5 -36.5 -59.6 37.5 53.1 27.3 89 91 A Q - 0 0 38 1,-0.1 -1,-0.1 92,-0.0 3,-0.1 -0.983 57.4-148.3-135.8 142.4 40.5 52.5 25.0 90 92 A L S S- 0 0 60 -2,-0.3 2,-0.3 600,-0.2 -1,-0.1 0.662 79.0 -20.6 -83.2 -15.7 42.2 49.3 23.7 91 93 A G - 0 0 24 596,-0.2 -1,-0.1 595,-0.0 0, 0.0 -0.952 66.2 -97.4-171.8-179.1 45.7 50.9 23.5 92 94 A I - 0 0 80 -2,-0.3 596,-0.1 -3,-0.1 595,-0.1 -0.961 43.9-102.5-120.5 133.8 47.8 54.0 23.4 93 95 A P - 0 0 3 0, 0.0 594,-0.1 0, 0.0 287,-0.1 -0.242 29.2-137.7 -55.3 140.4 49.3 55.6 20.2 94 96 A H >> - 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0 0 8 74,-0.7 3,-0.5 -2,-0.5 2,-0.4 -0.510 24.5-127.8 -67.8 126.6 37.6 69.9 27.8 110 112 A G B 3 S-I 213 0F 21 103,-3.2 103,-0.5 -2,-0.2 -1,-0.1 -0.667 78.0 -14.2 -85.5 129.8 36.2 71.9 30.7 111 113 A D T 3 S- 0 0 127 -2,-0.4 4,-0.5 101,-0.1 3,-0.3 0.796 80.6-176.7 45.4 43.5 34.3 70.2 33.6 112 114 A A S X S+ 0 0 6 -3,-0.5 3,-1.3 1,-0.2 4,-0.2 0.733 71.5 36.2 -27.8 -72.7 34.1 67.0 31.5 113 115 A Y G > S+ 0 0 30 1,-0.3 34,-1.8 2,-0.2 3,-1.1 0.866 119.5 51.5 -61.7 -38.1 32.0 64.5 33.7 114 116 A F G 3 S+ 0 0 37 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.475 104.5 59.4 -78.6 -3.1 29.9 67.4 35.0 115 117 A S G < S+ 0 0 2 -3,-1.3 -112,-3.1 -4,-0.5 -1,-0.2 0.395 96.5 72.1-102.2 -2.6 29.3 68.4 31.4 116 118 A V S < S- 0 0 2 -3,-1.1 31,-1.3 -114,-0.2 2,-0.1 -0.950 83.3-117.2-118.1 134.3 27.6 65.1 30.4 117 119 A P B -J 146 0G 11 0, 0.0 -109,-0.4 0, 0.0 2,-0.3 -0.417 18.5-138.5 -74.7 145.3 24.1 63.9 31.4 118 120 A L - 0 0 1 27,-1.8 -111,-0.1 -111,-0.1 5,-0.1 -0.770 39.7 -87.4 -96.1 142.0 23.5 60.7 33.6 119 121 A D >> - 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