==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/TRANSFERASE 13-JAN-00 1DTQ . COMPND 2 MOLECULE: HIV-1 RT A-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.REN,J.DIPROSE,J.WARREN,R.M.ESNOUF,L.E.BIRD,S.IKEMIZU, . 927 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 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 . 9 1.0 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 . 1 0.1 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 . 69 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 4 1 2 0 1 0 1 1 1 1 1 3 3 1 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 11 2 6 2 2 2 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 . 3 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 4 A P 0 0 140 0, 0.0 2,-0.3 0, 0.0 114,-0.1 0.000 360.0 360.0 360.0-171.7 14.9 -57.6 36.1 2 5 A I - 0 0 16 112,-0.2 2,-0.3 207,-0.1 159,-0.0 -0.617 360.0-111.1 -90.8 146.0 16.7 -54.4 35.0 3 6 A E - 0 0 157 -2,-0.3 2,-0.2 157,-0.1 -1,-0.1 -0.558 39.0-112.1 -74.2 134.5 20.5 -54.2 34.5 4 7 A T - 0 0 51 -2,-0.3 113,-0.1 113,-0.1 -1,-0.1 -0.435 16.5-138.8 -74.5 138.9 22.2 -52.0 37.1 5 8 A V - 0 0 7 111,-0.3 113,-0.7 -2,-0.2 2,-0.4 -0.861 27.5-119.9 -95.7 121.1 23.9 -48.7 36.2 6 9 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 568,-0.0 -0.460 33.7-167.3 -64.7 116.9 27.2 -48.3 38.1 7 10 A V - 0 0 3 -2,-0.4 2,-0.3 111,-0.0 569,-0.0 -0.808 6.9-177.5-109.7 149.9 27.1 -45.2 40.2 8 11 A K - 0 0 143 -2,-0.3 74,-2.2 568,-0.1 2,-0.2 -0.957 27.8-107.0-141.9 159.8 30.0 -43.5 42.0 9 12 A L B -A 81 0A 25 -2,-0.3 72,-0.3 72,-0.2 3,-0.1 -0.517 51.6 -86.5 -84.0 155.8 30.6 -40.6 44.3 10 13 A K - 0 0 64 70,-2.8 3,-0.2 -2,-0.2 -1,-0.1 -0.330 66.2 -81.5 -58.9 145.4 32.2 -37.5 43.0 11 14 A P S S+ 0 0 125 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 -0.146 110.4 8.8 -52.8 139.0 36.1 -37.8 43.1 12 15 A G S S+ 0 0 91 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 -0.394 105.8 104.1 87.2 -57.1 37.8 -37.2 46.4 13 16 A M - 0 0 84 -2,-1.5 -1,-0.3 -3,-0.2 2,-0.2 -0.017 58.3-147.8 -56.4 159.6 34.5 -37.0 48.3 14 17 A D - 0 0 62 1,-0.2 -4,-0.1 -3,-0.1 3,-0.1 -0.721 33.8 -68.4-122.8 172.2 33.2 -39.7 50.6 15 18 A G - 0 0 2 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.064 61.0 -88.6 -58.1 163.7 29.7 -40.9 51.4 16 19 A P - 0 0 0 0, 0.0 38,-3.6 0, 0.0 2,-0.5 -0.609 34.3-171.7 -82.4 131.1 27.3 -38.8 53.6 17 20 A K B +b 54 0B 127 -2,-0.3 2,-0.4 36,-0.3 38,-0.2 -0.834 20.8 162.3-121.8 89.6 27.4 -39.1 57.4 18 21 A V - 0 0 46 36,-3.8 2,-0.1 -2,-0.5 3,-0.0 -0.915 38.2-118.3-115.3 137.7 24.5 -37.1 58.8 19 22 A K - 0 0 138 -2,-0.4 2,-0.5 1,-0.1 35,-0.0 -0.434 32.6-113.9 -70.4 141.7 22.9 -37.3 62.2 20 23 A Q - 0 0 31 -2,-0.1 3,-0.1 36,-0.1 -1,-0.1 -0.659 32.6-121.0 -78.4 121.1 19.3 -38.4 62.3 21 24 A W - 0 0 123 -2,-0.5 36,-0.2 1,-0.1 -1,-0.1 -0.134 44.3 -81.8 -54.0 160.0 17.2 -35.5 63.6 22 25 A P - 0 0 112 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.250 52.6-145.1 -62.2 156.1 15.2 -36.4 66.7 23 26 A L - 0 0 34 -3,-0.1 2,-0.2 109,-0.1 35,-0.0 -0.973 14.0-111.8-133.5 146.5 11.9 -38.2 66.1 24 27 A T >> - 0 0 68 -2,-0.4 4,-3.5 1,-0.2 3,-1.0 -0.501 27.7-129.1 -68.9 133.7 8.5 -38.4 67.6 25 28 A E H 3> S+ 0 0 95 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.785 114.0 56.4 -53.7 -26.7 7.9 -41.8 69.3 26 29 A E H 3> S+ 0 0 106 2,-0.2 4,-1.8 1,-0.1 -1,-0.3 0.834 111.7 40.6 -72.3 -36.9 4.7 -41.8 67.2 27 30 A K H <> S+ 0 0 55 -3,-1.0 4,-3.0 2,-0.2 5,-0.3 0.944 105.4 63.4 -75.6 -51.3 6.8 -41.4 64.1 28 31 A I H X S+ 0 0 6 -4,-3.5 4,-1.8 1,-0.3 -2,-0.2 0.839 111.3 41.8 -38.5 -41.5 9.5 -43.8 65.2 29 32 A K H X S+ 0 0 135 -4,-1.1 4,-1.5 -5,-0.3 -1,-0.3 0.939 110.2 54.6 -74.0 -51.0 6.7 -46.4 65.1 30 33 A A H X S+ 0 0 9 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.873 112.4 45.4 -50.9 -42.2 5.1 -45.2 61.8 31 34 A L H X S+ 0 0 2 -4,-3.0 4,-3.9 2,-0.2 3,-0.4 0.968 102.8 60.6 -66.8 -57.0 8.5 -45.5 60.1 32 35 A V H < S+ 0 0 55 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.785 110.4 46.2 -41.0 -33.1 9.4 -48.9 61.5 33 36 A E H >X S+ 0 0 132 -4,-1.5 4,-1.9 2,-0.2 3,-0.8 0.887 114.6 43.9 -78.8 -43.8 6.3 -50.1 59.7 34 37 A I H 3X S+ 0 0 40 -4,-1.6 4,-2.0 -3,-0.4 -2,-0.2 0.936 115.0 50.4 -66.1 -46.4 6.9 -48.3 56.4 35 38 A C H 3< S+ 0 0 0 -4,-3.9 4,-0.4 1,-0.2 -1,-0.2 0.378 108.3 53.9 -73.6 3.6 10.6 -49.4 56.5 36 39 A T H <> S+ 0 0 60 -3,-0.8 4,-3.3 -5,-0.3 5,-0.2 0.797 105.3 50.9 -99.0 -47.5 9.5 -53.0 57.2 37 40 A E H X S+ 0 0 97 -4,-1.9 4,-2.5 1,-0.2 6,-0.2 0.923 113.6 47.5 -51.3 -48.0 7.2 -53.1 54.1 38 41 A M H X>S+ 0 0 26 -4,-2.0 6,-1.1 1,-0.2 5,-1.0 0.896 112.0 48.4 -62.9 -42.0 10.1 -51.8 52.1 39 42 A E H 45S+ 0 0 70 -4,-0.4 -2,-0.2 4,-0.2 -1,-0.2 0.876 111.4 51.5 -65.5 -38.4 12.5 -54.4 53.7 40 43 A K H <5S+ 0 0 168 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.938 111.0 45.2 -64.2 -49.5 10.0 -57.2 53.0 41 44 A E H <5S- 0 0 104 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.612 116.4-117.7 -71.3 -10.9 9.6 -56.3 49.3 42 45 A G T <5S+ 0 0 31 -4,-0.7 -3,-0.2 2,-0.3 -4,-0.1 0.320 79.8 124.7 92.7 -7.5 13.3 -55.9 49.1 43 46 A K S - 0 0 30 -2,-0.2 3,-0.9 1,-0.1 -1,-0.1 -0.475 34.4-105.3 -94.4 164.7 25.2 -53.6 60.0 49 52 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 90,-0.0 0.298 107.6 84.5 -68.8 10.5 26.8 -51.2 62.4 50 53 A E T 3 + 0 0 173 2,-0.0 -3,-0.0 1,-0.0 0, 0.0 0.947 67.0 82.9 -77.0 -54.4 29.7 -51.2 60.0 51 54 A N < - 0 0 10 -3,-0.9 -4,-0.1 1,-0.2 -1,-0.0 -0.342 54.6-175.6 -58.2 113.1 28.4 -48.6 57.6 52 55 A P + 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.915 55.3 98.4 -74.5 -45.0 29.2 -45.2 59.0 53 56 A Y + 0 0 29 -36,-0.1 -36,-0.3 1,-0.0 2,-0.2 0.139 47.9 158.1 -40.2 154.5 27.4 -43.4 56.2 54 57 A N B -b 17 0B 12 -38,-3.6 -36,-3.8 70,-0.2 73,-0.3 -0.696 26.3-158.1 174.4 129.4 23.8 -42.2 56.9 55 58 A T - 0 0 0 71,-2.8 73,-0.4 -2,-0.2 19,-0.1 -0.914 34.2-104.3-116.0 146.5 21.2 -39.6 55.7 56 59 A P - 0 0 3 0, 0.0 17,-2.5 0, 0.0 2,-0.4 -0.236 29.7-153.4 -66.4 153.6 18.3 -38.3 57.8 57 60 A V E -E 72 0D 0 15,-0.2 15,-0.3 71,-0.2 2,-0.2 -0.992 8.2-162.0-134.0 138.4 14.8 -39.5 57.2 58 61 A F E -E 71 0D 70 13,-3.4 13,-3.0 -2,-0.4 2,-0.4 -0.720 12.5-133.3-117.4 167.8 11.5 -37.6 58.0 59 62 A A E +E 70 0D 9 -2,-0.2 2,-0.3 11,-0.2 11,-0.2 -0.983 29.0 163.9-125.3 128.8 7.8 -38.4 58.4 60 63 A I E -E 69 0D 67 9,-2.8 9,-3.0 -2,-0.4 2,-0.5 -0.892 34.1-114.0-138.1 166.5 4.9 -36.5 56.7 61 64 A K - 0 0 100 -2,-0.3 3,-0.2 7,-0.2 7,-0.2 -0.912 41.4 -99.8-108.5 129.8 1.2 -36.9 56.0 62 65 A K > - 0 0 119 -2,-0.5 3,-1.3 5,-0.2 5,-0.1 -0.194 57.7 -90.5 -45.9 120.7 -0.1 -37.2 52.4 63 66 A K T 3 S- 0 0 175 1,-0.3 -1,-0.2 3,-0.1 3,-0.1 -0.111 111.7 -0.8 -42.7 115.3 -1.4 -33.7 51.6 64 67 A D T 3 S+ 0 0 172 1,-0.3 2,-0.3 -3,-0.2 -1,-0.3 0.917 117.6 99.6 63.7 48.4 -5.0 -33.8 52.6 65 68 A S S < S- 0 0 66 -3,-1.3 2,-0.7 2,-0.1 -1,-0.3 -0.964 71.1-125.3-154.9 151.2 -4.9 -37.4 53.7 66 69 A T + 0 0 128 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.767 68.1 72.0-111.3 90.3 -4.5 -39.0 57.2 67 70 A K S S- 0 0 138 -2,-0.7 2,-0.4 -5,-0.1 -5,-0.2 -0.949 77.3 -76.1-172.5-177.0 -1.6 -41.4 57.5 68 71 A W - 0 0 59 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.859 33.4-174.5-109.7 135.3 2.2 -41.6 57.6 69 72 A R E -E 60 0D 122 -9,-3.0 -9,-2.8 -2,-0.4 2,-0.3 -0.985 20.8-130.6-128.4 132.8 4.7 -41.2 54.7 70 73 A K E -E 59 0D 12 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.597 21.6-174.7 -82.4 135.8 8.5 -41.6 54.8 71 74 A L E -E 58 0D 68 -13,-3.0 -13,-3.4 -2,-0.3 2,-0.4 -0.897 7.6-159.1-136.9 107.5 10.8 -38.9 53.3 72 75 A V E -E 57 0D 4 -2,-0.4 2,-0.7 -15,-0.3 -15,-0.2 -0.690 13.8-137.3 -90.1 133.9 14.6 -39.3 53.1 73 76 A D + 0 0 52 -17,-2.5 4,-0.2 -2,-0.4 3,-0.2 -0.793 30.5 165.0 -92.4 112.4 16.8 -36.3 52.8 74 77 A F > + 0 0 4 -2,-0.7 4,-4.1 75,-0.2 5,-0.3 0.266 38.2 114.2-109.5 9.2 19.5 -36.9 50.1 75 78 A R H > S+ 0 0 161 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.910 84.0 43.5 -45.9 -50.6 20.7 -33.4 49.6 76 79 A E H > S+ 0 0 67 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.925 115.2 48.9 -63.8 -43.3 24.1 -34.2 51.1 77 80 A L H >> S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 4,-0.8 0.942 109.9 51.5 -60.8 -47.4 24.2 -37.5 49.2 78 81 A N H 3< S+ 0 0 34 -4,-4.1 -1,-0.2 1,-0.3 3,-0.2 0.784 104.8 56.3 -61.3 -27.5 23.3 -35.7 45.9 79 82 A K H 3< S+ 0 0 135 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.627 113.6 42.8 -77.7 -11.5 26.1 -33.2 46.5 80 83 A R H << S+ 0 0 50 -3,-1.8 -70,-2.8 -4,-0.5 2,-0.4 0.448 94.5 95.0-110.8 -5.7 28.4 -36.2 46.7 81 84 A T B < S-A 9 0A 0 -4,-0.8 -72,-0.2 -72,-0.3 3,-0.1 -0.774 82.3-105.6 -94.8 132.7 27.0 -38.2 43.8 82 85 A Q - 0 0 30 -74,-2.2 2,-0.2 -2,-0.4 -1,-0.1 0.078 41.8 -97.1 -44.7 159.2 28.7 -37.9 40.3 83 86 A D - 0 0 65 -74,-0.1 2,-0.2 493,-0.1 -1,-0.1 -0.605 39.7-150.1 -83.3 147.1 26.8 -35.9 37.6 84 87 A F - 0 0 9 -2,-0.2 492,-0.2 494,-0.1 493,-0.1 -0.637 33.0-101.2-110.6 171.1 24.8 -38.0 35.2 85 88 A W - 0 0 85 490,-2.2 -1,-0.1 -2,-0.2 491,-0.1 0.933 67.2-153.4 -54.9 -42.2 23.9 -37.3 31.6 86 89 A E - 0 0 89 489,-0.2 66,-0.1 66,-0.1 -3,-0.0 0.554 15.8 -68.0 74.4 137.7 20.6 -36.2 33.1 87 90 A V - 0 0 64 1,-0.1 2,-0.1 2,-0.1 68,-0.1 0.247 61.3 -87.1 -42.9 169.7 17.1 -36.1 31.7 88 91 A Q - 0 0 74 1,-0.1 -1,-0.1 2,-0.1 3,-0.1 -0.407 23.8-163.9 -83.4 161.9 16.1 -33.8 28.8 89 92 A L + 0 0 164 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.681 69.0 86.3-109.9 -39.9 14.8 -30.3 29.4 90 93 A G - 0 0 29 1,-0.0 -2,-0.1 3,-0.0 -1,-0.1 -0.490 62.6-163.1 -71.9 118.3 13.4 -29.8 25.9 91 94 A I - 0 0 50 -2,-0.4 2,-0.3 1,-0.1 570,-0.1 -0.633 31.1 -92.6 -97.8 156.6 9.8 -31.1 25.5 92 95 A P - 0 0 1 0, 0.0 568,-0.1 0, 0.0 -1,-0.1 -0.488 36.6-129.7 -69.6 129.2 8.1 -31.8 22.2 93 96 A H > - 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