==== 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 11-DEC-12 4ID5 . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR J.D.BAUMAN,D.PATEL,E.ARNOLD . 968 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 61.2 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 . 136 14.0 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 . 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 . 53 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 24.9 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+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 2 0 1 1 0 1 1 3 1 3 1 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 1 2 5 3 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 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 0 210 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.8 71.6 -27.9 66.1 2 0 A V - 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.922 360.0-121.9 -95.7 117.6 71.6 -27.1 62.4 3 1 A P - 0 0 112 0, 0.0 2,-0.3 0, 0.0 212,-0.1 -0.322 28.3-159.9 -57.8 139.3 71.1 -23.4 62.0 4 2 A I - 0 0 89 210,-0.1 210,-0.2 211,-0.0 209,-0.1 -0.919 22.1-110.1-119.2 151.3 68.1 -22.4 59.9 5 3 A S - 0 0 48 208,-2.7 2,-0.1 -2,-0.3 3,-0.0 -0.636 35.2-125.0 -78.4 132.6 67.5 -19.1 58.2 6 4 A P - 0 0 116 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.415 20.1-115.7 -73.8 153.1 64.7 -17.1 59.8 7 5 A I - 0 0 45 207,-0.1 2,-0.1 -2,-0.1 158,-0.0 -0.812 33.9-121.6 -87.0 123.7 61.8 -16.0 57.7 8 6 A E - 0 0 126 -2,-0.6 2,-0.1 157,-0.1 115,-0.1 -0.445 28.6-120.2 -68.5 137.8 61.8 -12.2 57.6 9 7 A T - 0 0 65 -2,-0.1 113,-0.1 113,-0.1 -1,-0.1 -0.454 13.4-127.1 -80.9 152.2 58.6 -10.7 58.9 10 8 A V - 0 0 8 111,-0.4 113,-0.5 -2,-0.1 2,-0.2 -0.874 28.9-120.9 -95.1 124.4 56.4 -8.4 56.9 11 9 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 593,-0.0 -0.502 34.5-165.1 -69.0 133.3 55.7 -5.1 58.7 12 10 A V - 0 0 10 -2,-0.2 2,-0.3 74,-0.0 594,-0.0 -0.918 9.8-173.2-126.3 144.5 51.9 -4.7 59.3 13 11 A K - 0 0 153 -2,-0.3 74,-2.1 593,-0.1 2,-0.1 -0.942 25.6-117.1-131.5 154.1 49.8 -1.7 60.2 14 12 A L B -A 86 0A 23 -2,-0.3 72,-0.2 72,-0.2 3,-0.1 -0.477 54.1 -82.5 -73.1 161.9 46.2 -1.0 61.1 15 13 A K > - 0 0 67 70,-2.4 3,-1.9 1,-0.1 -1,-0.1 -0.332 66.4 -77.7 -61.1 149.9 44.3 1.3 58.8 16 14 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.237 116.6 10.4 -54.3 136.3 44.9 5.0 59.5 17 15 A G T 3 S+ 0 0 93 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.275 103.2 115.7 83.3 -11.2 43.0 6.3 62.5 18 16 A M < - 0 0 87 -3,-1.9 -1,-0.2 67,-0.1 2,-0.2 -0.667 49.3-154.1 -96.7 147.6 41.9 2.9 63.6 19 17 A D - 0 0 65 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.562 34.6 -81.0-106.4 175.6 42.8 1.1 66.8 20 18 A G - 0 0 2 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.236 59.5 -79.4 -72.9 168.5 43.0 -2.6 67.5 21 19 A P - 0 0 0 0, 0.0 38,-2.2 0, 0.0 2,-0.2 -0.361 33.9-173.0 -72.2 145.9 39.9 -4.7 68.3 22 20 A K B +b 59 0B 132 36,-0.3 2,-0.4 -3,-0.1 38,-0.2 -0.619 24.6 161.7-136.3 74.6 38.3 -4.7 71.8 23 21 A V - 0 0 33 36,-2.2 2,-0.1 -2,-0.2 58,-0.0 -0.819 39.7-113.1-107.6 131.7 35.6 -7.3 71.5 24 22 A K - 0 0 136 -2,-0.4 2,-0.7 1,-0.1 -1,-0.0 -0.357 20.5-133.4 -63.2 133.3 34.0 -9.1 74.5 25 23 A Q - 0 0 34 36,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.812 25.8-144.3 -82.7 117.8 34.6 -12.8 75.0 26 24 A W - 0 0 132 -2,-0.7 36,-0.1 1,-0.1 0, 0.0 -0.467 31.6 -79.1 -82.9 157.8 31.2 -14.4 75.7 27 25 A P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.130 43.3-159.1 -58.9 149.2 30.9 -17.3 78.2 28 26 A L - 0 0 28 108,-0.2 2,-0.1 -3,-0.1 35,-0.0 -0.876 26.9 -98.2-121.0 159.2 31.8 -20.8 77.2 29 27 A T > - 0 0 77 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.409 37.5-109.5 -72.1 155.1 30.7 -24.1 78.7 30 28 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.859 119.4 55.0 -54.0 -38.0 33.1 -25.8 81.2 31 29 A E H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 106.5 48.9 -62.1 -46.2 33.8 -28.5 78.6 32 30 A K H > S+ 0 0 62 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.879 109.3 53.7 -63.2 -38.3 34.8 -26.0 75.8 33 31 A I H X S+ 0 0 10 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.937 108.0 47.9 -63.0 -49.6 37.1 -24.2 78.2 34 32 A K H X S+ 0 0 126 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.908 113.1 50.9 -57.6 -40.3 39.0 -27.3 79.2 35 33 A A H X S+ 0 0 16 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.923 111.6 45.8 -64.5 -44.2 39.3 -28.2 75.5 36 34 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.886 109.9 54.1 -67.0 -39.9 40.6 -24.7 74.6 37 35 A V H X S+ 0 0 47 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.919 111.2 46.5 -58.8 -44.8 43.1 -24.7 77.5 38 36 A E H X S+ 0 0 140 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.933 114.2 47.4 -61.9 -48.9 44.5 -28.0 76.2 39 37 A I H X S+ 0 0 41 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.960 114.4 45.8 -57.8 -51.7 44.6 -26.8 72.6 40 38 A C H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.780 106.1 60.1 -66.5 -28.1 46.3 -23.5 73.5 41 39 A T H X S+ 0 0 43 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.930 109.0 44.2 -64.0 -43.0 48.8 -25.3 75.8 42 40 A E H X S+ 0 0 94 -4,-1.7 4,-1.6 -3,-0.3 -2,-0.2 0.921 113.2 50.1 -65.1 -46.3 50.0 -27.3 72.8 43 41 A M H <>S+ 0 0 24 -4,-2.2 5,-2.1 1,-0.2 6,-0.6 0.880 110.5 51.4 -59.7 -37.8 50.1 -24.3 70.6 44 42 A E H ><5S+ 0 0 61 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.871 107.2 51.8 -68.9 -38.6 52.1 -22.4 73.2 45 43 A K H 3<5S+ 0 0 158 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 108.7 52.2 -67.3 -28.1 54.6 -25.2 73.5 46 44 A E T 3<5S- 0 0 125 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.420 117.0-115.9 -89.5 0.8 55.0 -25.1 69.7 47 45 A G T < 5S+ 0 0 38 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.484 82.0 120.2 83.8 4.2 55.7 -21.4 69.9 48 46 A K S - 0 0 36 -2,-0.3 3,-0.8 1,-0.1 -1,-0.1 -0.081 40.2 -96.4 -73.7 178.3 50.2 -9.8 81.0 54 52 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.579 107.8 82.1 -75.9 -10.0 47.1 -7.8 81.9 55 53 A E T 3 + 0 0 154 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.829 64.0 96.2 -66.0 -36.6 48.4 -4.6 80.3 56 54 A N < - 0 0 25 -3,-0.8 -4,-0.0 1,-0.1 73,-0.0 -0.393 56.2-166.7 -61.5 122.6 47.3 -5.5 76.7 57 55 A P + 0 0 75 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.453 52.4 96.1 -95.3 -0.0 43.9 -3.8 76.1 58 56 A Y - 0 0 23 70,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.436 47.2-177.4 -92.2 160.9 42.8 -5.7 72.9 59 57 A N B -b 22 0B 18 -38,-2.2 -36,-2.2 70,-0.1 73,-0.2 -0.928 17.7-173.3-162.8 140.5 40.6 -8.7 72.4 60 58 A T B -d 132 0C 1 71,-1.4 73,-0.6 -2,-0.3 19,-0.1 -0.990 38.0-110.3-127.8 135.8 39.3 -11.1 69.8 61 59 A P - 0 0 4 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.364 27.8-153.3 -73.0 145.0 36.6 -13.7 70.7 62 60 A V E -F 77 0D 0 71,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.901 11.4-171.1-117.4 147.2 37.6 -17.4 70.7 63 61 A F E -F 76 0D 74 13,-3.1 13,-2.5 -2,-0.3 2,-0.4 -0.892 18.2-139.7-133.1 160.0 35.2 -20.3 70.2 64 62 A A E -F 75 0D 4 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.991 24.2-172.6-123.3 124.3 35.2 -24.1 70.4 65 63 A I E -F 74 0D 80 9,-1.9 9,-1.1 -2,-0.4 2,-0.5 -0.938 24.9-128.1-122.0 138.5 33.5 -26.1 67.7 66 64 A K E -F 73 0D 136 -2,-0.4 7,-0.2 7,-0.2 3,-0.1 -0.718 16.5-150.4 -76.7 124.2 32.7 -29.8 67.3 67 65 A K - 0 0 151 5,-0.8 -1,-0.2 -2,-0.5 2,-0.2 0.991 51.2 -90.5 -56.4 -68.3 33.9 -30.9 63.9 68 66 A K S S+ 0 0 170 4,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.472 96.2 19.1 158.1 142.8 31.2 -33.6 63.5 69 67 A D S S+ 0 0 174 1,-0.2 2,-0.3 -2,-0.2 3,-0.0 0.862 106.5 89.5 53.8 41.4 30.9 -37.3 64.4 70 68 A S S S- 0 0 53 2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 -0.966 76.8-131.2-155.1 167.7 33.8 -37.0 66.9 71 69 A T S S+ 0 0 137 -2,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.484 77.1 109.9 -97.4 -7.5 34.7 -36.3 70.5 72 70 A K - 0 0 165 -4,-0.1 -5,-0.8 1,-0.0 2,-0.3 -0.361 53.9-153.5 -75.7 145.0 37.4 -33.9 69.4 73 71 A W E -F 66 0D 50 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.788 4.1-160.0-109.5 159.3 37.3 -30.1 69.7 74 72 A R E -F 65 0D 128 -9,-1.1 -9,-1.9 -2,-0.3 2,-0.3 -0.986 19.8-118.2-136.0 149.1 39.0 -27.4 67.6 75 73 A K E -F 64 0D 22 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.673 24.3-172.7 -85.8 136.8 39.8 -23.8 68.4 76 74 A L E -F 63 0D 82 -13,-2.5 -13,-3.1 -2,-0.3 2,-0.6 -0.970 6.2-164.8-129.1 117.8 38.3 -20.9 66.3 77 75 A V E -F 62 0D 12 -2,-0.4 2,-1.2 -15,-0.2 -15,-0.2 -0.904 18.1-140.6-100.0 121.9 39.4 -17.4 66.8 78 76 A D + 0 0 33 -17,-2.5 3,-0.5 -2,-0.6 4,-0.2 -0.681 26.2 173.4 -88.8 94.8 37.0 -15.0 65.2 79 77 A F > + 0 0 5 -2,-1.2 4,-2.6 1,-0.2 77,-0.2 0.160 39.3 117.6 -88.5 19.0 39.1 -12.2 63.7 80 78 A R H > S+ 0 0 170 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.882 78.3 44.4 -55.7 -41.5 36.3 -10.4 61.9 81 79 A E H > S+ 0 0 57 -3,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.937 113.8 48.3 -71.2 -46.8 36.8 -7.2 63.9 82 80 A L H > S+ 0 0 0 1,-0.2 4,-0.8 -4,-0.2 3,-0.5 0.870 109.0 56.3 -58.8 -36.6 40.6 -7.1 63.6 83 81 A N H >< S+ 0 0 38 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.902 101.7 54.7 -64.2 -39.9 40.2 -7.8 59.8 84 82 A K H 3< S+ 0 0 132 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.803 114.7 42.9 -59.0 -26.7 38.0 -4.7 59.4 85 83 A R H 3< S+ 0 0 66 -4,-0.9 -70,-2.4 -3,-0.5 2,-0.3 0.483 93.0 97.8-103.1 -5.4 40.9 -2.7 61.0 86 84 A T B << S-A 14 0A 0 -4,-0.8 -72,-0.2 -3,-0.8 -74,-0.0 -0.671 80.3-103.3 -89.0 138.4 43.9 -4.3 59.3 87 85 A Q - 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