==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUL-01 1JKH . COMPND 2 MOLECULE: HIV-1 RT, A-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR J.REN,C.NICHOLS,L.BIRD,P.CHAMBERLAIN,K.WEAVER,S.SHORT,D.I.ST . 949 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 617 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 13.6 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 . 67 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 26.2 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 2 2 1 4 1 0 2 0 1 2 2 0 2 2 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 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 . 8 5 4 1 3 3 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 2 3 1 2 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 2 A I 0 0 119 0, 0.0 116,-0.1 0, 0.0 115,-0.1 0.000 360.0 360.0 360.0-179.9 5.9 -49.5 46.3 2 3 A S - 0 0 8 114,-2.7 209,-0.2 209,-0.2 208,-0.1 -0.238 360.0-157.3 -77.3 156.3 8.3 -50.3 43.4 3 4 A P + 0 0 85 0, 0.0 2,-0.4 0, 0.0 208,-0.1 -0.314 50.4 132.4-119.8 40.4 10.9 -53.2 42.7 4 5 A I - 0 0 24 206,-0.2 -2,-0.0 1,-0.1 157,-0.0 -0.825 69.7 -90.1-102.2 136.8 13.1 -51.2 40.2 5 6 A E - 0 0 150 -2,-0.4 -1,-0.1 1,-0.1 115,-0.1 -0.113 48.2-121.3 -41.5 122.1 16.9 -51.1 40.4 6 7 A T - 0 0 19 113,-0.1 113,-0.1 1,-0.1 -1,-0.1 -0.249 24.0-113.2 -66.9 161.4 17.9 -48.1 42.6 7 8 A V - 0 0 6 111,-0.4 2,-0.6 1,-0.0 113,-0.2 -0.816 29.7-112.2 -98.1 136.8 20.1 -45.5 41.0 8 9 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 592,-0.0 -0.584 41.4-179.5 -74.0 111.3 23.7 -45.0 42.4 9 10 A V + 0 0 5 -2,-0.6 2,-0.3 111,-0.1 593,-0.0 -0.724 7.8 179.8-109.8 158.7 24.0 -41.7 44.2 10 11 A K - 0 0 139 -2,-0.3 74,-1.8 592,-0.1 2,-0.3 -0.963 32.5-102.0-151.4 159.3 27.0 -40.1 46.0 11 12 A L B -A 83 0A 25 -2,-0.3 72,-0.3 72,-0.2 3,-0.1 -0.638 57.5 -79.9 -86.5 147.5 27.7 -36.9 47.9 12 13 A K S S- 0 0 65 70,-1.4 -1,-0.1 -2,-0.3 72,-0.1 -0.180 73.3 -80.5 -43.3 132.1 29.5 -34.1 46.0 13 14 A P S S+ 0 0 126 0, 0.0 2,-2.4 0, 0.0 -1,-0.1 0.020 112.7 1.8 -38.4 140.9 33.2 -35.2 46.3 14 15 A G S S+ 0 0 85 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.1 -0.452 108.9 101.9 77.1 -73.0 34.7 -34.3 49.7 15 16 A M - 0 0 70 -2,-2.4 2,-0.3 1,-0.0 -1,-0.1 0.166 47.9-174.6 -41.7 159.5 31.5 -32.8 51.1 16 17 A D - 0 0 60 -3,-0.1 67,-0.1 2,-0.1 -1,-0.0 -0.946 20.1-134.2-159.1 141.0 29.3 -34.7 53.5 17 18 A G + 0 0 10 -2,-0.3 2,-0.5 65,-0.1 39,-0.3 -0.332 49.4 125.8-106.9 56.1 25.9 -33.8 55.0 18 19 A P + 0 0 18 0, 0.0 37,-0.2 0, 0.0 2,-0.2 -0.932 51.2 49.1-109.2 121.4 25.5 -34.4 58.8 19 20 A K + 0 0 154 -2,-0.5 -2,-0.1 37,-0.3 59,-0.0 -0.747 36.3 123.9 168.0-116.7 24.4 -31.5 61.1 20 21 A V - 0 0 57 -2,-0.2 -1,-0.2 1,-0.1 58,-0.0 0.673 61.4-118.5 9.8 104.2 21.6 -28.8 61.2 21 22 A K - 0 0 162 1,-0.1 2,-0.2 36,-0.1 -1,-0.1 -0.039 24.1 -90.2 -64.2 157.9 19.8 -29.2 64.6 22 23 A Q - 0 0 23 36,-0.1 -1,-0.1 1,-0.1 109,-0.1 -0.452 32.7-130.8 -69.7 132.3 16.2 -30.1 65.4 23 24 A W - 0 0 170 36,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 -0.646 27.0-128.6 -86.6 84.1 13.7 -27.2 65.8 24 25 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.012 33.4-165.8 -37.3 122.0 12.0 -27.9 69.1 25 26 A L - 0 0 23 1,-0.2 109,-0.0 35,-0.0 35,-0.0 -0.645 24.5 -84.2-110.9 167.6 8.2 -27.6 68.4 26 27 A T > - 0 0 81 -2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.069 45.9-102.2 -59.8 179.1 5.1 -27.4 70.6 27 28 A E H > S+ 0 0 157 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.715 121.1 57.8 -79.3 -21.0 3.5 -30.6 72.1 28 29 A E H > S+ 0 0 120 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.841 112.5 38.8 -75.5 -37.4 0.7 -30.4 69.4 29 30 A K H > S+ 0 0 54 2,-0.2 4,-0.5 1,-0.2 3,-0.5 0.899 109.6 59.4 -78.9 -45.0 3.2 -30.6 66.6 30 31 A I H < S+ 0 0 4 -4,-1.8 4,-0.5 1,-0.3 -2,-0.2 0.775 115.3 37.2 -55.1 -29.0 5.6 -33.1 68.2 31 32 A K H X S+ 0 0 117 -4,-0.8 4,-1.1 2,-0.2 -1,-0.3 0.607 108.0 62.8 -99.4 -15.0 2.8 -35.6 68.4 32 33 A A H < S+ 0 0 14 -4,-0.5 4,-0.5 -3,-0.5 -2,-0.2 0.396 112.6 39.4 -86.5 -0.5 1.2 -34.6 65.0 33 34 A L T X S+ 0 0 0 -4,-0.5 4,-1.5 2,-0.1 -2,-0.2 0.514 106.7 62.8-116.1 -26.5 4.5 -35.8 63.5 34 35 A V H > S+ 0 0 36 -4,-0.5 4,-1.4 -5,-0.3 -2,-0.2 0.865 110.7 43.4 -66.5 -35.5 4.8 -38.8 65.9 35 36 A E H >X S+ 0 0 124 -4,-1.1 4,-1.5 2,-0.2 3,-0.8 0.996 110.6 47.5 -71.5 -72.1 1.6 -39.9 64.2 36 37 A I H 3> S+ 0 0 14 -4,-0.5 4,-1.6 1,-0.3 3,-0.2 0.820 115.1 52.0 -39.8 -40.5 2.1 -39.3 60.5 37 38 A C H 3X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.3 0.900 98.5 59.0 -66.6 -46.1 5.5 -41.0 60.9 38 39 A T H X S+ 0 0 107 -4,-1.5 3,-1.7 -3,-0.2 4,-1.7 1.000 108.8 41.0 -64.2 -75.7 2.3 -44.4 59.3 40 41 A M H 3X>S+ 0 0 18 -4,-1.6 5,-1.4 1,-0.3 4,-1.3 0.875 107.9 65.6 -41.0 -48.8 5.0 -44.1 56.7 41 42 A E H 3<5S+ 0 0 49 -4,-2.8 3,-0.4 1,-0.2 -1,-0.3 0.871 107.2 41.4 -41.6 -47.4 7.2 -46.4 58.9 42 43 A K H <<5S+ 0 0 162 -3,-1.7 -1,-0.2 -4,-1.0 -2,-0.2 0.957 105.0 60.3 -69.4 -54.6 4.8 -49.2 58.3 43 44 A E H <5S- 0 0 113 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.660 117.7-110.8 -51.1 -14.2 4.1 -48.6 54.6 44 45 A G T <5S+ 0 0 37 -4,-1.3 -3,-0.2 -3,-0.4 -1,-0.2 0.424 90.9 112.0 96.1 0.8 7.9 -49.2 54.2 45 46 A K S + 0 0 35 -2,-0.1 3,-0.9 90,-0.1 -1,-0.1 -0.339 45.0 112.8 136.7 -49.1 19.5 -44.5 65.1 51 52 A P T 3 S- 0 0 100 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 0.600 104.3 -16.4 -19.3 -52.8 21.9 -47.5 64.9 52 53 A E T 3 S+ 0 0 166 73,-0.0 73,-0.0 0, 0.0 0, 0.0 -0.462 93.1 132.7-162.4 81.2 24.8 -45.5 63.4 53 54 A N < + 0 0 20 -3,-0.9 -4,-0.0 1,-0.1 73,-0.0 -0.793 20.1 168.0-147.2 104.3 23.8 -42.0 62.0 54 55 A P + 0 0 91 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.625 60.0 93.4 -82.5 -16.6 25.4 -38.6 62.7 55 56 A Y + 0 0 35 -37,-0.2 2,-0.3 70,-0.1 72,-0.1 -0.455 52.6 175.4 -79.2 150.0 23.5 -36.8 59.9 56 57 A N - 0 0 15 -39,-0.3 73,-0.3 -2,-0.1 -37,-0.3 -0.892 20.5-162.8-164.8 131.1 20.2 -35.0 60.6 57 58 A T E -c 129 0C 6 71,-1.7 73,-1.2 -2,-0.3 2,-0.3 -0.871 32.4-111.8-112.5 144.0 17.5 -32.7 58.9 58 59 A P E -c 130 0C 4 0, 0.0 17,-1.9 0, 0.0 2,-0.3 -0.573 25.6-145.9 -76.9 130.5 15.0 -30.5 60.8 59 60 A V E -E 74 0D 0 71,-0.7 -36,-0.3 -2,-0.3 2,-0.3 -0.744 15.1-167.9 -97.2 145.5 11.2 -31.5 60.7 60 61 A F E -E 73 0D 41 13,-2.0 13,-1.0 -2,-0.3 2,-0.4 -0.792 15.1-141.0-124.8 169.1 8.5 -28.9 60.7 61 62 A A E -E 72 0D 3 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.952 21.8-177.8-136.4 111.5 4.7 -29.0 61.1 62 63 A I E -E 71 0D 86 9,-2.2 9,-1.8 -2,-0.4 2,-0.7 -0.871 41.1 -95.8-113.0 146.8 2.6 -26.7 59.0 63 64 A K E -E 70 0D 123 -2,-0.4 3,-0.2 7,-0.2 7,-0.2 -0.455 46.6-124.9 -60.0 103.7 -1.2 -26.3 59.1 64 65 A K > - 0 0 62 5,-0.8 3,-3.7 -2,-0.7 5,-0.1 -0.295 43.1 -84.5 -53.5 131.9 -2.2 -28.7 56.3 65 66 A K T 3 S- 0 0 151 1,-0.3 -1,-0.2 3,-0.1 3,-0.1 -0.152 112.3 -8.4 -44.9 112.8 -4.4 -26.6 53.8 66 67 A D T 3 S+ 0 0 146 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.446 112.2 123.4 76.6 0.6 -7.9 -26.7 55.3 67 68 A S < - 0 0 21 -3,-3.7 -1,-0.2 1,-0.1 4,-0.1 -0.776 52.8-167.9-106.1 141.0 -6.8 -29.3 58.0 68 69 A T S S+ 0 0 124 -2,-0.4 2,-0.2 -3,-0.1 -1,-0.1 0.390 84.6 87.6 -89.8 -3.0 -7.0 -29.2 61.8 69 70 A K S S- 0 0 114 -5,-0.1 -5,-0.8 1,-0.0 2,-0.3 -0.625 87.4-119.0 -90.2 151.7 -4.8 -32.2 61.2 70 71 A W E -E 63 0D 48 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.684 19.7-154.9-101.0 154.8 -1.1 -31.5 60.8 71 72 A R E -E 62 0D 77 -9,-1.8 -9,-2.2 -2,-0.3 2,-0.2 -0.955 11.6-134.1-126.6 145.0 1.3 -32.0 57.9 72 73 A K E -E 61 0D 24 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.639 16.8-177.9-101.7 157.3 5.1 -32.5 57.9 73 74 A L E -E 60 0D 95 -13,-1.0 -13,-2.0 -2,-0.2 2,-0.5 -0.966 16.0-143.8-145.0 148.4 7.9 -31.1 55.7 74 75 A V E -E 59 0D 9 75,-0.3 2,-1.8 -2,-0.3 -15,-0.2 -0.973 10.9-137.0-128.0 122.6 11.6 -31.9 55.8 75 76 A D > + 0 0 27 -17,-1.9 3,-0.7 -2,-0.5 4,-0.4 -0.498 38.4 155.2 -75.8 78.4 14.4 -29.3 55.3 76 77 A F T 3> + 0 0 2 -2,-1.8 4,-3.0 1,-0.2 5,-0.3 0.536 39.2 116.7 -79.1 -4.9 16.8 -31.2 53.1 77 78 A R H 3> S+ 0 0 190 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.748 82.8 36.9 -28.7 -44.7 17.8 -27.7 52.0 78 79 A E H X> S+ 0 0 65 -3,-0.7 4,-0.8 2,-0.2 3,-0.6 0.951 113.3 54.8 -76.1 -57.5 21.3 -28.5 53.4 79 80 A L H >4 S+ 0 0 4 -4,-0.4 3,-1.0 1,-0.2 -2,-0.2 0.856 106.5 55.3 -43.6 -44.1 21.4 -32.2 52.4 80 81 A N H >< S+ 0 0 34 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.882 99.8 55.3 -61.8 -44.6 20.7 -31.2 48.8 81 82 A K H << S+ 0 0 97 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.629 111.4 48.0 -66.8 -8.5 23.7 -28.7 48.5 82 83 A R T << S+ 0 0 39 -3,-1.0 -70,-1.4 -4,-0.8 2,-0.4 0.357 94.5 98.7-108.4 1.6 25.9 -31.7 49.6 83 84 A T B < S-A 11 0A 0 -3,-1.7 -72,-0.2 -72,-0.3 -67,-0.0 -0.742 83.3-102.0 -94.1 135.9 24.2 -34.1 47.1 84 85 A Q - 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0 0 33 584,-0.1 3,-2.7 1,-0.1 4,-0.5 -0.936 20.9-118.5-114.6 138.2 4.6 -26.4 22.8 96 97 A P G >4 S+ 0 0 1 0, 0.0 3,-2.2 0, 0.0 221,-0.3 0.825 109.0 66.6 -36.5 -48.3 1.0 -27.1 21.5 97 98 A A G 34 S+ 0 0 0 1,-0.3 251,-0.1 219,-0.1 218,-0.0 0.666 97.6 53.0 -51.8 -25.0 2.1 -26.4 17.9 98 99 A G G <4 S+ 0 0 2 -3,-2.7 -1,-0.3 218,-0.1 218,-0.1 0.591 85.5 106.0 -90.5 -11.7 4.3 -29.5 17.8 99 100 A L << - 0 0 39 -3,-2.2 218,-4.3 -4,-0.5 2,-0.4 -0.330 67.2-131.0 -68.0 150.1 1.6 -31.9 19.0 100 101 A K B -f 317 0E 83 216,-0.2 218,-0.1 1,-0.1 -1,-0.1 -0.808 31.4 -97.8-102.3 143.3 0.1 -34.3 16.4 101 102 A K - 0 0 117 216,-0.7 2,-0.3 -2,-0.4 134,-0.2 -0.351 46.9-170.1 -61.7 136.9 -3.6 -34.5 16.2 102 103 A K - 0 0 36 132,-2.5 88,-0.2 1,-0.1 3,-0.1 -0.841 30.6-139.4-126.3 163.7 -5.1 -37.5 18.0 103 104 A K S S+ 0 0 142 86,-1.7 2,-0.4 1,-0.3 87,-0.2 0.822 91.7 16.5 -90.2 -37.4 -8.4 -39.3 18.3 104 105 A S E -G 189 0F 20 85,-1.9 85,-1.9 130,-0.1 2,-0.4 -0.984 65.4-170.0-136.9 146.5 -8.3 -39.9 22.0 105 106 A V E +G 188 0F 35 -2,-0.4 2,-0.3 83,-0.2 83,-0.2 -1.000 5.4 177.6-138.7 139.3 -6.2 -38.4 24.8 106 107 A T E -G 187 0F 10 81,-2.6 81,-2.5 -2,-0.4 2,-0.5 -0.954 17.1-147.5-136.2 154.1 -5.8 -39.4 28.4 107 108 A V E -G 186 0F 14 114,-0.3 2,-0.7 -2,-0.3 114,-0.5 -0.983 7.6-159.9-129.5 119.0 -3.6 -38.0 31.1 108 109 A L E -G 185 0F 0 77,-3.7 77,-1.5 -2,-0.5 2,-1.2 -0.881 7.7-153.4-100.8 108.8 -2.3 -40.4 33.8 109 110 A D E -G 184 0F 75 -2,-0.7 3,-0.2 75,-0.2 75,-0.2 -0.698 14.0-178.7 -85.7 97.1 -1.2 -38.5 36.9 110 111 A V + 0 0 2 73,-2.4 -1,-0.2 -2,-1.2 74,-0.2 0.623 29.5 149.0 -69.1 -12.4 1.4 -40.7 38.5 111 112 A G > + 0 0 19 72,-0.8 2,-4.6 1,-0.2 3,-0.6 0.231 56.6 53.8 19.2 -95.6 1.6 -38.0 41.3 112 113 A D T 3 S+ 0 0 103 -3,-0.2 101,-0.2 1,-0.2 -1,-0.2 -0.148 79.1 116.7 -59.1 55.3 2.5 -40.0 44.4 113 114 A A T >> + 0 0 1 -2,-4.6 3,-1.8 2,-0.1 4,-0.9 0.788 52.9 67.4 -98.2 -33.5 5.5 -41.4 42.6 114 115 A Y G X4 S+ 0 0 32 -3,-0.6 3,-0.9 1,-0.3 33,-0.3 0.914 105.1 46.7 -55.1 -43.4 8.5 -40.1 44.5 115 116 A F G 34 S+ 0 0 44 1,-0.2 -1,-0.3 31,-0.1 -2,-0.1 0.452 105.6 62.7 -78.7 0.0 7.5 -42.3 47.5 116 117 A S G <4 S+ 0 0 11 -3,-1.8 -114,-2.7 -115,-0.1 -1,-0.2 0.626 89.3 82.7 -96.6 -16.9 7.0 -45.2 45.1 117 118 A V S << S- 0 0 3 -4,-0.9 30,-2.2 -3,-0.9 2,-0.1 -0.792 81.0-119.3 -99.7 130.7 10.7 -45.3 44.0 118 119 A P B -I 146 0G 16 0, 0.0 -111,-0.4 0, 0.0 28,-0.3 -0.339 25.6-136.7 -63.2 135.8 13.5 -47.1 46.0 119 120 A L - 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