==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 03-MAY-95 1RTH . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.REN,R.ESNOUF,E.GARMAN,D.SOMERS,C.ROSS,I.KIRBY,J.KEELING, . 963 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 610 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 14.5 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 . 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 . 50 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 25.2 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 3 1 1 1 1 0 1 1 4 0 4 1 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 3 2 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 4 4 3 1 4 2 3 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 . 5 2 3 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 P 0 0 74 0, 0.0 214,-0.1 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 135.8 3.9 -49.8 48.3 2 2 A I - 0 0 70 42,-0.3 116,-0.2 212,-0.1 115,-0.1 -0.329 360.0-135.0 -73.4 163.6 7.7 -50.2 47.8 3 3 A S - 0 0 13 114,-1.1 2,-0.9 2,-0.1 210,-0.1 -0.877 15.2-119.8-125.9 158.5 8.9 -51.8 44.5 4 4 A P + 0 0 104 0, 0.0 2,-0.4 0, 0.0 114,-0.1 -0.368 66.4 133.7 -88.9 52.9 11.5 -54.5 43.3 5 5 A I - 0 0 23 -2,-0.9 -2,-0.1 207,-0.1 158,-0.0 -0.819 66.4 -99.4-108.0 139.7 13.5 -52.1 41.1 6 6 A E - 0 0 154 -2,-0.4 2,-0.2 1,-0.1 115,-0.1 -0.355 42.6-123.3 -52.3 129.0 17.2 -51.7 41.0 7 7 A T - 0 0 30 113,-0.1 113,-0.1 111,-0.0 -1,-0.1 -0.509 18.3-122.3 -76.0 149.6 18.3 -48.6 43.1 8 8 A V - 0 0 11 111,-0.4 113,-0.5 -2,-0.2 2,-0.2 -0.838 31.7-114.3 -94.8 125.3 20.3 -45.8 41.4 9 9 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.442 38.2-166.5 -61.0 124.9 23.7 -45.3 43.2 10 10 A V + 0 0 11 -2,-0.2 2,-0.3 74,-0.0 114,-0.2 -0.974 9.8 180.0-129.1 129.8 23.8 -41.9 44.9 11 11 A K - 0 0 143 -2,-0.4 74,-1.9 584,-0.1 2,-0.0 -0.915 28.7-107.5-127.9 152.0 26.7 -39.8 46.4 12 12 A L B -A 84 0A 22 -2,-0.3 72,-0.3 72,-0.2 3,-0.2 -0.332 52.9 -82.2 -71.9 152.3 27.3 -36.5 48.1 13 13 A K S > S- 0 0 62 70,-2.5 3,-1.9 1,-0.2 -1,-0.1 -0.104 77.5 -54.7 -49.0 152.4 29.1 -33.7 46.2 14 14 A P T 3 S- 0 0 127 0, 0.0 -1,-0.2 0, 0.0 70,-0.0 -0.043 120.1 -13.5 -38.9 113.1 32.9 -33.9 46.2 15 15 A G T 3 S+ 0 0 90 -3,-0.2 2,-0.3 1,-0.2 -2,-0.1 0.759 100.1 130.7 62.2 32.9 34.2 -34.2 49.8 16 16 A M < - 0 0 89 -3,-1.9 2,-0.3 67,-0.2 -1,-0.2 -0.789 43.8-142.1-114.8 161.1 31.1 -33.3 51.7 17 17 A D - 0 0 70 -2,-0.3 3,-0.1 1,-0.2 66,-0.1 -0.898 32.3 -82.2-120.2 152.5 29.3 -34.9 54.6 18 18 A G - 0 0 2 -2,-0.3 -1,-0.2 1,-0.1 110,-0.1 0.227 59.1 -73.2 -43.9 167.0 25.6 -35.4 55.4 19 19 A P - 0 0 0 0, 0.0 38,-1.4 0, 0.0 -1,-0.1 -0.247 38.5-177.8 -67.2 149.7 23.3 -32.8 57.1 20 20 A K B +b 57 0B 116 36,-0.3 2,-0.3 -3,-0.1 38,-0.1 -0.430 25.0 145.6-146.7 63.5 23.6 -32.0 60.8 21 21 A V - 0 0 48 36,-1.7 2,-0.0 1,-0.1 0, 0.0 -0.802 46.3-112.3-107.1 145.6 20.9 -29.5 61.7 22 22 A K - 0 0 176 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.321 28.9-115.1 -71.5 160.8 19.0 -29.3 65.1 23 23 A Q - 0 0 17 36,-0.1 -1,-0.1 1,-0.1 38,-0.1 -0.827 27.7-120.8-100.6 127.0 15.3 -30.0 65.4 24 24 A W - 0 0 150 -2,-0.4 2,-0.2 36,-0.2 36,-0.1 -0.107 32.2-102.1 -60.6 159.9 12.8 -27.2 66.4 25 25 A P - 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.634 43.7-150.6 -84.7 150.2 10.7 -27.5 69.5 26 26 A L - 0 0 37 -2,-0.2 5,-0.0 108,-0.2 35,-0.0 -0.932 13.5-109.7-130.2 154.3 7.0 -28.5 69.0 27 27 A T > - 0 0 77 -2,-0.3 4,-1.1 1,-0.1 5,-0.2 -0.065 42.3-105.1 -63.5 163.6 3.5 -28.2 70.4 28 28 A E H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.910 124.0 48.4 -57.9 -39.6 1.8 -31.3 72.0 29 29 A E H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.882 107.7 49.3 -68.3 -48.6 -0.3 -31.3 68.7 30 30 A K H > S+ 0 0 58 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.676 118.7 41.7 -70.3 -14.2 2.5 -31.0 66.1 31 31 A I H X S+ 0 0 16 -4,-1.1 4,-2.4 -3,-0.2 -2,-0.2 0.862 111.8 52.7 -93.1 -50.9 4.4 -33.9 67.9 32 32 A K H X S+ 0 0 102 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.907 112.7 48.4 -46.5 -51.7 1.4 -36.1 68.6 33 33 A A H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 3,-0.5 0.977 110.4 47.2 -56.3 -63.3 0.6 -35.9 64.9 34 34 A L H X S+ 0 0 3 -4,-0.9 4,-2.6 1,-0.3 5,-0.3 0.816 108.9 55.9 -53.4 -32.8 4.0 -36.7 63.5 35 35 A V H X S+ 0 0 58 -4,-2.4 4,-1.7 2,-0.2 -1,-0.3 0.953 111.7 44.0 -66.2 -41.7 4.3 -39.6 65.9 36 36 A E H X S+ 0 0 130 -4,-1.9 4,-1.2 -3,-0.5 -2,-0.2 0.961 115.6 47.7 -63.6 -51.6 1.0 -41.0 64.4 37 37 A I H X S+ 0 0 41 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.861 112.8 46.4 -58.4 -44.0 2.1 -40.2 60.8 38 38 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.845 105.8 58.1 -70.9 -34.8 5.6 -41.8 61.0 39 39 A T H X S+ 0 0 71 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.836 106.8 55.3 -62.9 -29.0 4.3 -44.9 62.7 40 40 A E H >X S+ 0 0 84 -4,-1.2 4,-2.1 2,-0.2 3,-1.2 0.997 113.4 33.1 -66.5 -77.7 2.2 -45.1 59.6 41 41 A M H 3<>S+ 0 0 18 -4,-1.8 5,-1.8 1,-0.3 6,-0.9 0.822 115.4 64.7 -51.9 -24.3 4.9 -45.0 56.9 42 42 A E H ><5S+ 0 0 53 -4,-2.5 3,-1.0 -5,-0.2 -1,-0.3 0.927 104.6 42.6 -62.0 -47.6 7.0 -46.9 59.5 43 43 A K H <<5S+ 0 0 134 -4,-2.1 -1,-0.2 -3,-1.2 -2,-0.2 0.854 108.3 60.3 -68.5 -32.0 4.6 -49.8 59.2 44 44 A E T 3<5S- 0 0 75 -4,-2.1 -42,-0.3 -5,-0.1 -1,-0.2 0.565 112.4-120.5 -72.3 -5.5 4.5 -49.4 55.4 45 45 A G T < 5S+ 0 0 26 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.510 83.0 120.5 78.0 3.4 8.3 -50.0 55.4 46 46 A K S - 0 0 77 -2,-0.7 3,-0.7 5,-0.4 5,-0.3 -0.300 31.0 -92.3 -59.5 138.4 -3.0 -29.3 54.8 66 66 A K T 3 S+ 0 0 167 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 -0.245 108.4 21.7 -61.3 135.8 -5.7 -27.2 53.4 67 67 A D T 3 S+ 0 0 154 -3,-0.1 2,-0.2 1,-0.1 -1,-0.2 0.760 111.4 80.4 75.1 36.5 -9.2 -28.7 53.2 68 68 A S < - 0 0 20 -3,-0.7 -1,-0.1 2,-0.1 0, 0.0 -0.786 64.3-158.5-165.2 109.1 -8.4 -31.3 55.7 69 69 A T S S+ 0 0 129 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.1 -0.046 70.8 101.9 -86.2 35.6 -8.5 -30.2 59.3 70 70 A K S S- 0 0 136 -5,-0.3 2,-0.4 -37,-0.0 -5,-0.4 -0.778 80.1 -99.6-116.0 157.5 -6.2 -33.3 59.8 71 71 A W + 0 0 54 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.2 -0.709 37.8 173.5 -92.4 132.6 -2.4 -33.2 60.3 72 72 A R E -F 63 0D 111 -9,-0.8 -9,-0.9 -2,-0.4 2,-0.3 -0.629 21.8-120.1-120.8 173.9 0.3 -33.9 57.5 73 73 A K E -F 62 0D 27 -11,-0.2 2,-0.3 -2,-0.2 -11,-0.2 -0.831 15.2-166.7-125.7 168.9 4.1 -33.6 57.5 74 74 A L E -F 61 0D 74 -13,-2.0 -13,-3.0 -2,-0.3 2,-0.5 -0.954 7.8-156.7-151.5 121.4 7.1 -31.9 55.8 75 75 A V E -F 60 0D 18 -2,-0.3 2,-1.2 76,-0.3 -15,-0.2 -0.870 19.1-135.4-103.0 135.6 10.8 -32.6 55.9 76 76 A D + 0 0 30 -17,-2.9 3,-0.5 -2,-0.5 4,-0.3 -0.657 30.0 169.1 -92.8 85.6 13.2 -29.8 55.2 77 77 A F > + 0 0 5 -2,-1.2 4,-3.4 1,-0.2 77,-0.2 0.216 39.1 115.7 -80.7 14.8 15.9 -31.2 52.8 78 78 A R H > S+ 0 0 164 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.926 80.7 39.1 -48.4 -58.3 17.4 -27.9 51.9 79 79 A E H > S+ 0 0 63 -3,-0.5 4,-1.8 2,-0.2 3,-0.5 0.898 115.8 49.3 -63.2 -46.9 20.8 -28.6 53.4 80 80 A L H > S+ 0 0 0 -4,-0.3 4,-0.7 1,-0.2 3,-0.4 0.971 108.6 57.3 -58.1 -43.6 21.0 -32.2 52.3 81 81 A N H < S+ 0 0 41 -4,-3.4 3,-0.5 1,-0.3 -1,-0.2 0.781 103.0 53.2 -57.6 -30.3 20.0 -30.9 48.9 82 82 A K H < S+ 0 0 117 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.925 110.4 46.9 -68.7 -46.3 23.1 -28.6 48.9 83 83 A R H < S+ 0 0 49 -4,-1.8 -70,-2.5 -3,-0.4 2,-0.3 0.413 93.0 100.4 -76.0 -1.5 25.5 -31.5 49.7 84 84 A T B < S-A 12 0A 0 -4,-0.7 -72,-0.2 -3,-0.5 -74,-0.0 -0.655 77.6-105.0 -93.4 146.5 24.1 -34.0 47.1 85 85 A Q - 0 0 26 -74,-1.9 2,-0.2 -2,-0.3 -1,-0.1 0.025 39.4-104.7 -55.1 168.4 25.6 -34.7 43.7 86 86 A D - 0 0 77 509,-0.1 2,-0.3 -74,-0.1 -1,-0.1 -0.672 27.4-149.7 -96.8 157.9 24.1 -33.3 40.5 87 87 A F - 0 0 22 -2,-0.2 508,-0.2 1,-0.2 3,-0.2 -0.721 27.3-102.6-118.1 166.3 22.1 -35.3 38.0 88 88 A W S S- 0 0 45 506,-1.1 2,-0.4 -2,-0.3 -1,-0.2 0.958 80.7 -27.8 -60.5 -90.5 21.8 -34.7 34.3 89 89 A E - 0 0 73 -3,-0.1 2,-0.9 69,-0.1 3,-0.5 -0.804 41.2-173.1-142.6 107.4 18.5 -33.0 33.5 90 90 A V S S+ 0 0 71 -2,-0.4 68,-0.1 1,-0.2 -3,-0.0 -0.835 89.8 6.5 -90.4 107.8 15.2 -33.2 35.2 91 91 A Q - 0 0 93 -2,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.935 67.9-160.6 80.3 63.5 13.0 -31.3 32.6 92 92 A L - 0 0 89 -3,-0.5 2,-0.3 1,-0.1 -2,-0.1 0.726 68.4 -53.5 -28.8 -55.8 15.0 -30.5 29.5 93 93 A G S S- 0 0 31 584,-0.2 -1,-0.1 583,-0.1 -2,-0.1 -0.801 74.1 -73.1 175.8 160.5 12.6 -27.8 28.5 94 94 A I - 0 0 82 -2,-0.3 2,-0.1 -3,-0.1 584,-0.1 -0.471 40.5-123.0 -78.7 134.7 8.8 -27.9 28.0 95 95 A P - 0 0 5 0, 0.0 582,-0.1 0, 0.0 287,-0.1 -0.492 31.8-126.5 -68.2 146.8 7.2 -29.6 25.0 96 96 A H > - 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0 0 1 27,-2.6 5,-0.1 -2,-0.2 -113,-0.1 -0.716 37.1 -91.0 -96.9 136.2 16.6 -45.4 48.0 121 121 A D > - 0 0 16 -113,-0.5 4,-1.8 -2,-0.4 -1,-0.1 -0.157 40.5-131.2 -42.3 120.8 20.1 -46.5 47.5 122 122 A E T 4 S+ 0 0 105 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.834 101.8 53.6 -48.6 -41.4 20.8 -48.3 50.8 123 123 A D T >4 S+ 0 0 117 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 0.971 109.0 46.5 -65.3 -49.4 24.1 -46.5 51.3 124 124 A F G >4 S+ 0 0 2 1,-0.2 3,-2.6 -114,-0.2 4,-0.5 0.787 87.6 88.8 -64.2 -30.9 22.7 -43.0 50.9 125 125 A R G >< S+ 0 0 41 -4,-1.8 3,-1.3 1,-0.3 21,-0.5 0.743 76.3 69.4 -39.7 -33.7 19.7 -43.6 53.2 126 126 A K G X S+ 0 0 87 -3,-1.1 3,-1.3 -4,-0.4 -1,-0.3 0.799 89.6 59.5 -59.3 -32.0 21.8 -42.5 56.2 127 127 A Y G < S+ 0 0 34 -3,-2.6 -1,-0.3 1,-0.3 -70,-0.2 0.709 95.5 64.8 -69.8 -21.1 21.9 -38.9 55.2 128 128 A T G < S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.244 72.8 137.7 -84.2 3.7 18.1 -38.7 55.3 129 129 A A < + 0 0 0 -3,-1.3 -71,-0.9 16,-0.2 2,-0.3 -0.251 27.1 174.5 -53.6 143.6 18.0 -39.3 59.1 130 130 A F E -dE 58 144C 0 14,-2.3 14,-2.6 -73,-0.2 2,-0.4 -0.983 20.4-126.5-150.5 160.4 15.5 -37.1 61.0 131 131 A T E - 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