==== 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 29-JUL-98 1RT5 . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR J.REN,D.K.STAMMERS,D.I.STUART . 943 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46473.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 1 0.1 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 . 54 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 25.7 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 1 2 3 3 0 0 1 0 1 2 3 1 3 0 1 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 . 7 4 6 0 3 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 0 5 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 93 0, 0.0 210,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 139.4 3.6 -50.5 47.9 2 2 A I - 0 0 84 42,-0.2 116,-0.2 208,-0.1 115,-0.1 -0.379 360.0-132.7 -72.9 162.0 7.4 -50.8 47.8 3 3 A S - 0 0 14 114,-1.5 2,-1.1 2,-0.1 206,-0.1 -0.884 12.8-126.8-126.2 155.3 8.9 -52.2 44.5 4 4 A P + 0 0 106 0, 0.0 2,-0.4 0, 0.0 114,-0.1 -0.467 62.9 132.1 -91.9 59.7 11.5 -54.8 43.4 5 5 A I - 0 0 21 -2,-1.1 -2,-0.1 203,-0.1 2,-0.1 -0.922 65.7 -95.8-118.4 143.7 13.5 -52.4 41.2 6 6 A E - 0 0 156 -2,-0.4 2,-0.1 1,-0.1 115,-0.1 -0.295 42.0-128.1 -53.2 121.1 17.3 -51.8 41.0 7 7 A T - 0 0 22 113,-0.1 113,-0.1 -2,-0.1 -1,-0.1 -0.408 19.6-118.8 -72.9 149.9 18.3 -48.8 43.1 8 8 A V - 0 0 20 111,-0.4 2,-0.4 -2,-0.1 113,-0.4 -0.771 30.2-111.2 -91.1 131.7 20.3 -46.1 41.4 9 9 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.517 41.7-175.8 -65.4 118.4 23.8 -45.6 43.0 10 10 A V + 0 0 8 -2,-0.4 2,-0.3 74,-0.0 114,-0.2 -0.971 6.2 175.5-124.3 133.9 23.8 -42.1 44.6 11 11 A K - 0 0 138 -2,-0.4 74,-1.6 576,-0.1 2,-0.1 -0.929 30.1-106.5-135.8 156.0 26.7 -40.4 46.3 12 12 A L B -A 84 0A 19 -2,-0.3 72,-0.3 72,-0.2 3,-0.2 -0.408 53.2 -79.3 -77.1 156.8 27.5 -37.0 48.0 13 13 A K > - 0 0 57 70,-2.1 3,-1.9 1,-0.2 -1,-0.2 -0.104 69.6 -70.8 -51.7 153.4 29.7 -34.4 46.3 14 14 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.205 117.8 2.1 -53.0 124.7 33.4 -34.9 46.5 15 15 A G T 3 S+ 0 0 94 1,-0.2 2,-0.3 -3,-0.2 -2,-0.1 0.674 102.7 122.8 72.6 18.2 34.8 -34.4 50.0 16 16 A M < - 0 0 90 -3,-1.9 2,-0.3 67,-0.1 -1,-0.2 -0.806 45.0-152.8-113.0 154.5 31.4 -33.6 51.6 17 17 A D - 0 0 69 -2,-0.3 -4,-0.1 1,-0.2 66,-0.0 -0.881 31.3 -80.6-122.9 157.1 29.7 -35.4 54.5 18 18 A G - 0 0 3 -2,-0.3 -1,-0.2 1,-0.1 110,-0.1 0.106 58.9 -73.5 -51.5 165.8 26.0 -35.8 55.4 19 19 A P - 0 0 0 0, 0.0 38,-1.3 0, 0.0 -1,-0.1 -0.201 37.8-179.8 -62.5 148.9 23.7 -33.2 57.2 20 20 A K B +b 57 0B 121 36,-0.3 2,-0.3 2,-0.0 38,-0.1 -0.570 25.8 149.1-152.3 72.1 24.0 -32.4 60.9 21 21 A V - 0 0 32 36,-1.5 2,-0.0 -2,-0.1 0, 0.0 -0.879 47.6 -96.5-118.1 148.6 21.4 -29.8 61.7 22 22 A K - 0 0 172 -2,-0.3 2,-0.6 1,-0.1 -1,-0.0 -0.250 29.8-131.1 -61.5 137.1 19.3 -29.0 64.9 23 23 A Q - 0 0 39 36,-0.1 -1,-0.1 35,-0.1 3,-0.0 -0.825 25.1-124.1 -94.9 121.9 15.8 -30.4 65.3 24 24 A W - 0 0 171 -2,-0.6 2,-0.4 1,-0.1 36,-0.1 -0.242 23.0-114.4 -61.5 145.9 13.3 -27.7 66.4 25 25 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 110,-0.1 -0.728 42.0-172.6 -84.1 128.7 11.3 -28.3 69.6 26 26 A L - 0 0 35 -2,-0.4 2,-0.3 1,-0.1 108,-0.0 0.024 25.3 -77.4 -99.8-147.1 7.7 -28.8 68.6 27 27 A T > - 0 0 73 1,-0.1 4,-2.9 -2,-0.1 5,-0.3 -0.742 36.1-108.9-114.9 165.2 4.5 -29.1 70.7 28 28 A E H > S+ 0 0 113 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.859 124.7 46.8 -59.0 -32.8 3.1 -32.0 72.6 29 29 A E H > S+ 0 0 106 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.917 111.2 46.4 -74.3 -50.6 0.5 -32.1 69.7 30 30 A K H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.898 116.0 48.1 -62.0 -38.3 2.9 -31.8 66.8 31 31 A I H X S+ 0 0 16 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.947 109.4 53.3 -65.8 -47.5 5.0 -34.5 68.4 32 32 A K H X S+ 0 0 94 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.945 111.9 45.8 -49.5 -56.0 1.9 -36.6 68.9 33 33 A A H X S+ 0 0 9 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.960 113.1 46.7 -53.3 -62.4 1.0 -36.3 65.2 34 34 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.817 110.1 55.6 -53.4 -33.2 4.5 -37.0 63.9 35 35 A V H X S+ 0 0 55 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.963 113.5 40.8 -64.3 -48.1 4.8 -40.0 66.3 36 36 A E H X S+ 0 0 128 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.978 117.5 46.8 -61.4 -59.0 1.5 -41.4 64.8 37 37 A I H X S+ 0 0 43 -4,-2.9 4,-1.7 1,-0.2 3,-0.3 0.878 113.7 48.3 -52.1 -46.0 2.4 -40.6 61.2 38 38 A C H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.888 106.7 55.3 -65.6 -39.3 5.9 -41.9 61.4 39 39 A T H X S+ 0 0 71 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.809 105.8 57.6 -62.9 -27.2 4.7 -45.2 63.0 40 40 A E H >X S+ 0 0 90 -4,-1.5 4,-1.8 -3,-0.3 3,-0.7 1.000 111.5 35.4 -65.3 -69.8 2.5 -45.5 60.0 41 41 A M H 3<>S+ 0 0 17 -4,-1.7 5,-1.6 1,-0.3 6,-1.0 0.774 113.4 64.5 -57.3 -23.4 5.2 -45.4 57.3 42 42 A E H ><5S+ 0 0 52 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.3 0.956 104.2 43.6 -62.7 -49.7 7.3 -47.3 59.8 43 43 A K H <<5S+ 0 0 137 -4,-2.1 -2,-0.2 -3,-0.7 -1,-0.2 0.850 109.1 58.9 -65.2 -33.5 4.9 -50.3 59.6 44 44 A E T 3<5S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.561 112.3-120.4 -73.3 -8.2 4.8 -49.9 55.8 45 45 A G T < 5S+ 0 0 29 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.469 82.5 119.0 82.0 0.9 8.5 -50.4 55.6 46 46 A K S - 0 0 28 -2,-0.3 3,-0.8 1,-0.0 89,-0.0 -0.117 47.2 -70.9 -96.0-161.6 20.3 -45.9 66.5 52 52 A P T 3 S+ 0 0 130 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.474 109.2 88.5 -73.4 -5.1 23.2 -43.6 67.6 53 53 A E T 3 S+ 0 0 165 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.420 77.2 76.8 -74.9 3.7 25.6 -45.0 64.9 54 54 A N < - 0 0 11 -3,-0.8 -1,-0.1 1,-0.1 -4,-0.0 -0.952 56.3-178.6-119.3 109.1 24.2 -42.3 62.7 55 55 A P + 0 0 76 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.359 54.7 97.1 -85.2 2.2 25.5 -38.7 63.4 56 56 A Y + 0 0 15 70,-0.2 -36,-0.3 -36,-0.1 2,-0.3 -0.458 47.2 175.9 -91.1 165.2 23.4 -37.1 60.6 57 57 A N B -b 20 0B 12 -38,-1.3 -36,-1.5 70,-0.2 73,-0.3 -0.899 18.3-162.2-171.1 140.8 20.0 -35.3 61.0 58 58 A T B -d 130 0C 1 71,-1.1 73,-0.7 -2,-0.3 2,-0.2 -0.971 36.9-105.9-126.5 135.8 17.5 -33.4 58.9 59 59 A P - 0 0 6 0, 0.0 17,-3.0 0, 0.0 2,-0.5 -0.463 32.8-161.9 -65.9 131.1 14.8 -31.1 60.6 60 60 A V E +F 75 0D 0 71,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.958 12.2 174.6-118.9 124.3 11.2 -32.5 60.6 61 61 A F E -F 74 0D 77 13,-2.8 13,-2.6 -2,-0.5 2,-0.3 -0.839 23.5-122.1-126.5 164.9 8.1 -30.4 61.1 62 62 A A E -F 73 0D 13 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.839 22.4-178.7-107.6 149.2 4.3 -30.8 61.1 63 63 A I E -F 72 0D 61 9,-2.2 9,-2.5 -2,-0.3 2,-0.2 -0.990 23.8-128.7-149.6 130.2 1.7 -29.0 59.0 64 64 A K E -F 71 0D 122 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.568 32.6-129.9 -76.8 143.1 -2.2 -29.3 58.9 65 65 A K - 0 0 59 5,-1.7 4,-0.3 -2,-0.2 -1,-0.1 -0.065 11.3-115.8 -84.0-171.6 -3.7 -29.8 55.4 66 66 A K S S+ 0 0 160 2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.875 108.1 40.2 -91.7 -47.2 -6.4 -28.2 53.4 67 67 A D S S+ 0 0 145 1,-0.1 -1,-0.1 3,-0.1 0, 0.0 0.609 130.9 16.3 -82.5 -14.7 -8.9 -31.1 53.0 68 68 A S S S- 0 0 69 2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.569 72.8-134.5-136.7 -12.5 -8.7 -32.6 56.5 69 69 A T S S+ 0 0 108 -4,-0.3 2,-0.2 1,-0.3 -3,-0.1 0.461 71.4 130.5 64.7 -5.6 -7.1 -30.4 59.3 70 70 A K - 0 0 131 1,-0.1 -5,-1.7 -6,-0.1 -1,-0.3 -0.532 66.3-100.3 -78.0 144.6 -5.4 -33.7 59.9 71 71 A W E -F 64 0D 70 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.436 35.0-173.9 -77.9 142.6 -1.6 -33.4 60.1 72 72 A R E -F 63 0D 104 -9,-2.5 -9,-2.2 -2,-0.2 2,-0.3 -0.762 22.8-124.5-119.6 165.6 0.9 -34.2 57.4 73 73 A K E -F 62 0D 26 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.807 16.2-160.9-116.8 162.0 4.7 -34.1 57.9 74 74 A L E -F 61 0D 60 -13,-2.6 -13,-2.8 -2,-0.3 2,-0.5 -0.990 3.7-158.2-144.5 128.1 7.5 -32.3 56.2 75 75 A V E -F 60 0D 14 -2,-0.4 2,-1.3 72,-0.3 -15,-0.2 -0.939 16.3-139.3-109.1 127.7 11.2 -33.0 56.2 76 76 A D > + 0 0 37 -17,-3.0 3,-0.5 -2,-0.5 4,-0.3 -0.631 28.4 168.8 -89.3 85.2 13.6 -30.1 55.3 77 77 A F T 3> + 0 0 3 -2,-1.3 4,-3.4 1,-0.2 5,-0.3 0.288 38.6 118.2 -79.4 12.0 16.2 -31.7 53.1 78 78 A R H 3> S+ 0 0 168 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.897 79.9 40.8 -42.9 -55.3 17.7 -28.3 52.1 79 79 A E H X> S+ 0 0 61 -3,-0.5 4,-1.6 2,-0.2 3,-0.8 0.944 115.4 49.4 -62.7 -50.1 21.1 -29.1 53.6 80 80 A L H 3> S+ 0 0 0 -4,-0.3 4,-0.7 1,-0.3 3,-0.4 0.931 107.3 56.6 -54.7 -46.5 21.2 -32.6 52.4 81 81 A N H 3< S+ 0 0 40 -4,-3.4 3,-0.4 1,-0.3 -1,-0.3 0.791 103.1 55.1 -55.5 -32.4 20.2 -31.4 48.9 82 82 A K H << S+ 0 0 123 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.912 110.3 45.3 -67.7 -41.7 23.3 -29.1 49.0 83 83 A R H < S+ 0 0 51 -4,-1.6 -70,-2.1 -3,-0.4 2,-0.3 0.441 93.5 101.4 -82.3 -2.9 25.6 -32.1 49.7 84 84 A T B < S-A 12 0A 0 -4,-0.7 -72,-0.2 -3,-0.4 -74,-0.0 -0.656 76.6-108.2 -89.7 141.9 24.1 -34.4 47.0 85 85 A Q - 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