==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JUL-99 1C0T . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.REN,R.M.ESNOUF,A.L.HOPKINS,D.I.STUART,D.K.STAMMERS . 864 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 14.1 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 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 . 59 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 1 1 0 1 1 1 2 1 1 1 2 0 1 2 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 . 10 3 3 2 2 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 . 4 4 0 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 0 162 0, 0.0 2,-0.4 0, 0.0 85,-0.1 0.000 360.0 360.0 360.0 77.8 15.7 -55.5 41.5 2 5 A I - 0 0 22 1,-0.1 117,-0.1 166,-0.1 121,-0.0 -0.899 360.0 -82.0-113.2 142.8 16.8 -53.0 38.9 3 6 A E - 0 0 146 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 -0.058 51.2-118.1 -43.9 140.6 20.5 -52.5 38.1 4 7 A T - 0 0 43 84,-0.1 84,-0.1 82,-0.1 -1,-0.1 -0.680 14.1-128.5 -91.9 140.0 22.2 -50.2 40.5 5 8 A V B -a 88 0A 6 82,-0.5 84,-0.6 -2,-0.3 2,-0.1 -0.748 24.5-130.2 -87.4 118.0 23.9 -46.9 39.5 6 9 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.414 31.5-176.4 -66.5 141.4 27.5 -46.6 40.8 7 10 A V + 0 0 7 -2,-0.1 2,-0.2 81,-0.0 538,-0.0 -0.976 11.8 175.1-148.7 129.8 28.2 -43.4 42.6 8 11 A K - 0 0 126 -2,-0.3 45,-1.8 537,-0.1 2,-0.3 -0.528 30.6-104.1-117.7-173.2 31.2 -41.7 44.2 9 12 A L B -B 52 0B 17 43,-0.2 43,-0.3 -2,-0.2 3,-0.2 -0.813 49.9 -74.1-115.6 157.8 32.0 -38.4 45.8 10 13 A K S S- 0 0 71 41,-2.7 3,-0.2 -2,-0.3 -1,-0.1 -0.255 72.9 -82.5 -51.5 123.8 33.8 -35.4 44.4 11 14 A P S S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.138 113.8 17.4 -31.0 128.9 37.6 -36.2 44.4 12 15 A G S S+ 0 0 86 1,-0.3 2,-0.3 -3,-0.2 -2,-0.1 0.858 102.1 108.4 72.5 38.4 39.2 -35.6 47.8 13 16 A M - 0 0 84 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.3 -0.950 50.2-148.4-141.5 161.0 36.1 -35.5 49.9 14 17 A D - 0 0 83 -2,-0.3 3,-0.1 1,-0.1 -4,-0.1 -0.920 35.9 -78.5-131.0 157.1 34.3 -37.7 52.5 15 18 A G - 0 0 1 -2,-0.3 -1,-0.1 1,-0.1 81,-0.1 -0.008 64.4 -77.2 -49.9 154.6 30.7 -38.3 53.5 16 19 A P - 0 0 0 0, 0.0 18,-2.3 0, 0.0 -1,-0.1 -0.298 38.0-174.1 -59.9 131.9 28.9 -35.8 55.8 17 20 A K B +c 34 0C 143 16,-0.2 2,-0.6 -3,-0.1 18,-0.1 -0.418 27.3 154.6-121.9 51.1 29.8 -35.9 59.4 18 21 A V - 0 0 52 16,-1.3 29,-0.0 1,-0.1 15,-0.0 -0.748 44.5-117.0 -89.5 120.6 27.2 -33.4 60.6 19 22 A K - 0 0 166 -2,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.025 34.9 -98.8 -48.9 157.6 26.0 -33.7 64.2 20 23 A Q - 0 0 66 16,-0.1 -1,-0.1 15,-0.1 3,-0.0 -0.702 29.8-124.6 -89.0 131.9 22.4 -34.5 64.9 21 24 A W - 0 0 167 -2,-0.4 16,-0.1 1,-0.1 2,-0.0 -0.597 35.8-106.6 -75.2 126.7 20.0 -31.7 65.8 22 25 A P + 0 0 98 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.297 51.3 166.6 -56.9 127.9 18.3 -32.4 69.2 23 26 A L 0 0 90 -2,-0.0 15,-0.0 -3,-0.0 -3,-0.0 -0.418 360.0 360.0-125.3-160.1 14.6 -33.4 68.8 24 27 A T 0 0 191 -2,-0.1 -1,-0.0 0, 0.0 0, 0.0 0.966 360.0 360.0 -62.3 360.0 11.7 -34.9 70.7 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 45 A G 0 0 118 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 89.9 12.7 -52.5 53.5 27 46 A K + 0 0 80 1,-0.3 76,-2.6 77,-0.0 77,-0.9 0.463 360.0 31.4-115.0 -6.3 14.1 -49.2 52.3 28 47 A I B D 102 0D 51 74,-0.3 -1,-0.3 75,-0.2 74,-0.2 -0.977 360.0 360.0-153.3 138.2 16.7 -48.6 54.9 29 48 A S 0 0 101 72,-1.2 73,-0.1 -2,-0.3 -1,-0.1 0.739 360.0 360.0-118.2 360.0 19.0 -50.9 57.0 30 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 54 A N 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.3 30.4 -45.9 59.8 32 55 A P + 0 0 80 0, 0.0 2,-0.2 0, 0.0 63,-0.0 0.160 360.0 90.8 -78.4 14.9 31.8 -42.4 60.6 33 56 A Y + 0 0 28 61,-0.1 2,-0.3 -16,-0.1 -16,-0.2 -0.588 41.1 165.7-114.8 174.5 28.9 -40.5 59.0 34 57 A N B -c 17 0C 45 -18,-2.3 -16,-1.3 -2,-0.2 64,-0.3 -0.882 14.7-156.0-178.4 150.0 25.5 -39.0 59.7 35 58 A T - 0 0 0 62,-0.5 10,-0.1 -2,-0.3 -15,-0.1 -0.996 36.6 -94.0-138.5 140.4 23.0 -36.6 58.1 36 59 A P + 0 0 19 0, 0.0 8,-2.1 0, 0.0 2,-0.4 -0.275 45.8 178.1 -55.9 129.6 20.3 -34.5 59.8 37 60 A V E +E 43 0E 22 6,-0.2 2,-0.3 -16,-0.1 6,-0.2 -0.999 12.1 131.2-139.9 135.4 16.8 -36.1 60.0 38 61 A F E E 42 0E 73 4,-1.1 4,-3.1 -2,-0.4 -15,-0.0 -0.927 360.0 360.0-162.4-175.3 13.5 -35.0 61.5 39 62 A A 0 0 128 -2,-0.3 -1,-0.1 2,-0.2 4,-0.0 0.515 360.0 360.0-138.7 360.0 9.8 -34.5 61.0 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 73 A K 0 0 116 0, 0.0 2,-0.5 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 98.1 10.6 -37.7 57.7 42 74 A L E -E 38 0E 122 -4,-3.1 -4,-1.1 2,-0.0 2,-0.3 -0.943 360.0-157.7-115.4 118.5 12.7 -35.0 55.9 43 75 A V E -E 37 0E 22 -2,-0.5 2,-0.9 64,-0.3 -6,-0.2 -0.689 12.6-139.8 -95.4 146.5 16.4 -35.4 55.5 44 76 A D + 0 0 35 -8,-2.1 3,-0.4 -2,-0.3 4,-0.2 -0.859 31.0 163.1-104.5 96.4 18.8 -32.5 54.9 45 77 A F > + 0 0 3 -2,-0.9 4,-3.6 63,-0.3 5,-0.4 0.378 37.2 116.7 -95.3 4.8 21.3 -33.9 52.4 46 78 A R H > S+ 0 0 179 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.820 81.3 45.0 -39.0 -42.2 22.5 -30.4 51.4 47 79 A E H 4 S+ 0 0 58 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.1 0.941 114.3 47.0 -71.1 -47.8 26.0 -31.4 52.7 48 80 A L H >> S+ 0 0 0 1,-0.2 3,-2.7 -4,-0.2 4,-2.6 0.938 109.4 54.2 -58.3 -48.4 26.0 -34.8 51.1 49 81 A N H 3< S+ 0 0 37 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.880 104.1 55.6 -53.5 -39.3 24.8 -33.3 47.8 50 82 A K T 3< S+ 0 0 122 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.481 114.9 40.9 -72.2 -1.3 27.8 -30.9 48.1 51 83 A R T <4 S+ 0 0 52 -3,-2.7 -41,-2.7 -4,-0.1 -2,-0.2 0.617 94.9 96.0-114.7 -30.3 29.9 -34.1 48.3 52 84 A T B < S-B 9 0B 0 -4,-2.6 -43,-0.2 -43,-0.3 -45,-0.0 -0.372 79.8-111.8 -67.1 141.6 28.2 -36.2 45.7 53 85 A Q - 0 0 18 -45,-1.8 2,-0.3 1,-0.1 -1,-0.1 0.092 39.8 -89.6 -59.1-179.1 29.6 -36.2 42.3 54 86 A D - 0 0 63 491,-0.1 2,-0.3 -45,-0.1 -1,-0.1 -0.693 39.7-158.9 -97.4 152.2 27.9 -34.7 39.3 55 87 A F - 0 0 24 -2,-0.3 2,-0.3 492,-0.1 490,-0.2 -0.770 35.0 -76.3-123.8 170.6 25.4 -36.6 37.1 56 88 A W - 0 0 43 488,-1.7 492,-0.1 -2,-0.3 490,-0.0 -0.532 65.8 -90.6 -71.5 130.5 24.1 -36.1 33.6 57 89 A E - 0 0 67 -2,-0.3 -1,-0.1 490,-0.3 2,-0.1 0.158 38.5-119.2 -36.1 147.5 21.5 -33.3 33.5 58 90 A V - 0 0 66 1,-0.1 2,-1.4 -3,-0.1 3,-0.1 -0.392 57.0 -61.8 -85.5 168.6 17.8 -34.1 34.0 59 91 A Q + 0 0 31 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.321 66.7 163.6 -55.4 89.0 15.2 -33.3 31.2 60 92 A L + 0 0 110 -2,-1.4 2,-0.5 1,-0.1 -1,-0.2 0.613 59.6 63.0 -86.0 -14.1 15.8 -29.6 31.2 61 93 A G S S- 0 0 19 -3,-0.1 -1,-0.1 561,-0.1 0, 0.0 -0.961 72.7-160.4-114.7 122.2 14.1 -29.2 27.8 62 94 A I - 0 0 57 -2,-0.5 561,-0.1 1,-0.1 2,-0.1 -0.651 24.9 -99.0 -98.6 158.6 10.4 -30.0 27.6 63 95 A P - 0 0 4 0, 0.0 559,-0.1 0, 0.0 -1,-0.1 -0.397 27.4-126.1 -75.3 149.7 8.5 -30.8 24.3 64 96 A H > - 0 0 20 1,-0.2 3,-1.9 -2,-0.1 4,-0.2 -0.803 11.3-136.8 -96.7 133.6 6.3 -28.4 22.5 65 97 A P G > S+ 0 0 0 0, 0.0 3,-2.7 0, 0.0 211,-0.4 0.904 103.7 69.1 -52.5 -38.5 2.7 -29.5 21.9 66 98 A A G 3 S+ 0 0 0 1,-0.3 241,-0.1 209,-0.1 210,-0.1 0.815 100.3 49.0 -51.4 -30.8 3.1 -28.1 18.4 67 99 A G G < S+ 0 0 0 -3,-1.9 -1,-0.3 208,-0.1 2,-0.2 0.278 89.4 99.2 -95.8 12.0 5.5 -30.9 17.7 68 100 A L < - 0 0 51 -3,-2.7 208,-2.6 -4,-0.2 2,-0.3 -0.593 69.4-124.1 -93.7 159.4 3.5 -33.9 19.0 69 101 A K - 0 0 69 -2,-0.2 208,-0.1 206,-0.2 -2,-0.1 -0.759 34.7 -94.2-101.5 151.5 1.5 -36.2 16.7 70 102 A K - 0 0 125 206,-0.5 2,-0.4 -2,-0.3 123,-0.2 -0.358 39.7-166.1 -64.8 140.7 -2.2 -36.8 17.1 71 103 A K - 0 0 37 121,-2.0 77,-0.2 1,-0.1 3,-0.1 -0.943 23.0-139.9-125.4 145.6 -3.1 -39.9 19.2 72 104 A K S S+ 0 0 116 75,-0.9 2,-0.3 -2,-0.4 76,-0.2 0.878 90.9 17.4 -73.2 -36.1 -6.5 -41.4 19.3 73 105 A S E -F 147 0F 20 74,-2.2 74,-2.7 119,-0.1 2,-0.3 -0.990 66.9-172.9-138.4 144.5 -6.2 -42.0 23.0 74 106 A V E -F 146 0F 29 -2,-0.3 2,-0.3 72,-0.2 72,-0.2 -0.982 2.8-178.6-138.1 151.2 -3.9 -40.7 25.8 75 107 A T E -F 145 0F 6 70,-1.9 70,-3.4 -2,-0.3 2,-0.4 -0.989 15.7-146.5-146.5 146.9 -3.3 -41.6 29.4 76 108 A V E -F 144 0F 9 103,-0.7 2,-0.5 -2,-0.3 103,-0.4 -0.972 11.0-167.5-119.1 134.7 -1.1 -40.3 32.3 77 109 A L E -F 143 0F 0 66,-2.6 66,-1.7 -2,-0.4 2,-0.5 -0.976 10.3-150.6-120.7 118.8 0.2 -42.7 35.0 78 110 A D E -F 142 0F 59 -2,-0.5 2,-0.7 64,-0.2 64,-0.2 -0.772 16.2-136.1 -89.5 127.9 1.8 -41.2 38.1 79 111 A V > - 0 0 2 62,-2.8 3,-0.9 -2,-0.5 93,-0.2 -0.757 19.8-145.1 -87.4 114.2 4.5 -43.4 39.5 80 112 A G T 3 S+ 0 0 23 91,-1.5 91,-0.5 -2,-0.7 5,-0.1 -0.490 76.7 3.4 -81.0 148.4 4.1 -43.6 43.3 81 113 A D T 3> S+ 0 0 91 -2,-0.2 4,-1.2 89,-0.1 -1,-0.2 0.779 82.6 167.5 50.2 28.7 7.1 -43.9 45.7 82 114 A A T X4 + 0 0 1 -3,-0.9 3,-0.7 1,-0.2 23,-0.1 0.844 69.7 38.3 -36.1 -61.6 9.2 -43.6 42.5 83 115 A Y G >4 S+ 0 0 45 1,-0.2 3,-2.7 2,-0.2 22,-0.9 0.952 112.7 55.3 -61.0 -53.3 12.5 -43.0 44.2 84 116 A F G 34 S+ 0 0 54 1,-0.3 -1,-0.2 20,-0.2 -2,-0.2 0.653 99.7 66.2 -56.2 -14.5 12.0 -45.4 47.1 85 117 A S G << S+ 0 0 33 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.505 91.7 72.2 -87.1 -5.2 11.4 -48.0 44.4 86 118 A V S < S- 0 0 4 -3,-2.7 19,-2.4 19,-0.2 2,-0.1 -0.942 82.9-117.5-118.2 132.6 15.0 -47.9 43.1 87 119 A P B -H 104 0G 31 0, 0.0 -82,-0.5 0, 0.0 2,-0.4 -0.360 23.0-130.7 -68.2 139.4 18.1 -49.3 44.9 88 120 A L B -a 5 0A 1 15,-1.8 5,-0.2 1,-0.1 -84,-0.1 -0.771 44.6 -80.4 -93.2 130.2 20.9 -47.1 46.0 89 121 A D > - 0 0 17 -84,-0.6 4,-1.1 -2,-0.4 3,-0.2 0.071 42.5-134.3 -29.5 115.1 24.5 -48.0 45.0 90 122 A E T >4 S+ 0 0 138 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.868 102.9 44.6 -45.2 -47.5 25.3 -50.6 47.6 91 123 A D G >4 S+ 0 0 110 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.872 110.2 53.1 -69.4 -39.1 28.8 -49.1 48.3 92 124 A F G >4 S+ 0 0 3 1,-0.2 3,-0.6 -3,-0.2 -1,-0.2 0.578 86.3 91.2 -73.7 -9.6 27.5 -45.5 48.4 93 125 A R G X< S+ 0 0 49 -4,-1.1 3,-2.3 -3,-0.6 9,-0.5 0.875 73.5 62.9 -54.0 -45.2 24.9 -46.4 51.0 94 126 A K G X S+ 0 0 70 -3,-0.7 3,-2.4 -4,-0.3 -1,-0.2 0.878 92.0 64.8 -50.2 -44.1 27.1 -45.7 54.1 95 127 A Y G < S+ 0 0 33 -3,-0.6 -1,-0.3 1,-0.3 -61,-0.2 0.534 96.8 59.6 -59.7 -5.4 27.4 -42.0 53.2 96 128 A T G < S+ 0 0 0 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.466 73.2 137.2-102.8 -3.4 23.6 -41.8 53.8 97 129 A A < 0 0 8 -3,-2.4 -62,-0.5 -4,-0.3 4,-0.3 0.013 360.0 360.0 -41.8 147.4 23.6 -42.9 57.4 98 130 A F 0 0 30 2,-2.1 -2,-0.1 -64,-0.3 -64,-0.0 -0.976 360.0 360.0-160.1 360.0 21.3 -40.9 59.7 99 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 144 A Y 0 0 173 0, 0.0 -2,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 99.6 20.3 -46.2 59.7 101 145 A Q - 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