==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUN-08 3DM2 . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR J.REN,P.P.CHAMBERLAIN,D.K.STAMMERS . 932 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 15.1 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 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 . 67 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 25.8 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+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 3 3 2 1 1 0 0 1 3 1 2 2 2 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 3 5 3 1 3 4 2 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 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 1 A P 0 0 104 0, 0.0 209,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 151.5 3.1 -49.5 47.3 2 2 A I - 0 0 57 42,-0.2 112,-0.2 207,-0.1 111,-0.1 -0.487 360.0-106.7 -89.5 163.2 6.8 -49.3 46.5 3 3 A S - 0 0 9 110,-2.3 2,-1.1 -2,-0.2 205,-0.2 -0.720 7.2-137.0 -97.9 141.6 8.2 -50.5 43.1 4 4 A P + 0 0 92 0, 0.0 2,-0.4 0, 0.0 204,-0.1 -0.244 66.7 125.4 -85.7 46.1 10.3 -53.6 42.5 5 5 A I - 0 0 16 -2,-1.1 -2,-0.1 202,-0.1 153,-0.0 -0.908 68.8 -97.6-112.3 139.2 12.6 -51.5 40.3 6 6 A E - 0 0 151 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 0.066 40.4-116.9 -42.8 153.5 16.3 -51.3 40.7 7 7 A T - 0 0 18 109,-0.1 109,-0.1 107,-0.0 -1,-0.1 -0.605 19.5-120.9 -96.0 161.5 17.7 -48.2 42.5 8 8 A V - 0 0 14 107,-0.3 2,-0.8 -2,-0.2 109,-0.4 -0.896 31.0-111.3-103.8 129.7 19.9 -45.6 41.0 9 9 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 571,-0.0 -0.441 40.7-167.6 -63.1 101.7 23.4 -45.1 42.7 10 10 A V - 0 0 8 -2,-0.8 2,-0.3 70,-0.0 572,-0.0 -0.744 7.7-176.9 -99.0 141.5 23.3 -41.7 44.4 11 11 A K - 0 0 153 -2,-0.3 70,-2.5 71,-0.1 2,-0.2 -0.895 25.2-115.2-131.6 158.6 26.2 -39.7 45.8 12 12 A L B -A 80 0A 30 -2,-0.3 68,-0.3 68,-0.3 3,-0.3 -0.605 50.7 -80.7 -90.1 154.8 26.8 -36.5 47.7 13 13 A K S > S- 0 0 64 66,-2.4 3,-0.6 -2,-0.2 -1,-0.2 -0.050 79.5 -49.9 -50.9 158.3 28.7 -33.6 46.1 14 14 A P T 3 S- 0 0 127 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.014 114.9 -29.7 -36.2 108.1 32.6 -33.8 46.2 15 15 A G T 3 S+ 0 0 85 -3,-0.3 -2,-0.1 1,-0.2 -3,-0.0 0.092 101.3 130.7 69.2 -26.0 33.7 -34.6 49.7 16 16 A M < - 0 0 91 -2,-0.7 2,-0.2 -3,-0.6 -1,-0.2 -0.041 48.1-132.1 -54.9 163.7 30.8 -32.9 51.4 17 17 A D - 0 0 64 1,-0.1 -4,-0.1 -3,-0.1 -1,-0.1 -0.653 25.5 -75.6-118.9 173.4 28.9 -34.7 54.1 18 18 A G - 0 0 0 -2,-0.2 -1,-0.1 1,-0.1 106,-0.1 -0.257 61.3 -89.1 -64.1 154.1 25.4 -35.5 55.2 19 19 A P - 0 0 0 0, 0.0 38,-2.1 0, 0.0 -1,-0.1 -0.319 31.1-172.1 -68.2 146.0 23.2 -32.8 56.8 20 20 A K B +b 57 0B 120 36,-0.3 2,-0.5 -3,-0.1 38,-0.1 -0.545 24.4 160.8-135.0 62.9 23.2 -32.2 60.5 21 21 A V - 0 0 49 36,-2.1 3,-0.1 1,-0.1 54,-0.0 -0.808 42.5-114.9 -95.3 122.3 20.4 -29.6 60.8 22 22 A K - 0 0 192 -2,-0.5 2,-0.6 1,-0.1 -1,-0.1 -0.180 33.8-108.4 -53.3 138.2 18.8 -29.1 64.2 23 23 A Q - 0 0 27 36,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.616 29.6-122.0 -76.5 116.7 15.1 -30.1 64.4 24 24 A W - 0 0 161 -2,-0.6 36,-0.2 1,-0.1 -1,-0.1 -0.403 36.7-114.5 -57.3 120.3 12.9 -27.0 64.7 25 25 A P - 0 0 106 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.317 37.7-160.5 -62.7 139.6 10.9 -27.6 68.0 26 26 A L - 0 0 28 104,-0.3 2,-0.1 1,-0.1 104,-0.1 -0.716 19.0 -96.9-121.2 171.3 7.2 -28.1 67.6 27 27 A T >> - 0 0 71 -2,-0.2 4,-2.7 1,-0.1 3,-1.2 -0.439 36.0-113.0 -82.0 155.0 4.0 -28.0 69.6 28 28 A E H 3> S+ 0 0 102 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.778 119.1 60.3 -58.9 -25.8 2.4 -31.1 71.1 29 29 A E H 3> S+ 0 0 118 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.795 111.4 37.8 -72.4 -28.8 -0.5 -30.5 68.7 30 30 A K H <> S+ 0 0 60 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.830 110.0 57.7 -90.7 -37.4 1.9 -30.9 65.7 31 31 A I H X S+ 0 0 15 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.932 106.3 53.0 -57.9 -43.6 4.2 -33.6 67.1 32 32 A K H X S+ 0 0 136 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.887 107.9 49.5 -58.2 -43.6 1.0 -35.8 67.4 33 33 A A H X S+ 0 0 17 -4,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.876 114.7 44.6 -64.5 -39.7 0.0 -35.2 63.7 34 34 A L H X S+ 0 0 2 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.958 107.7 56.4 -68.3 -54.2 3.5 -36.1 62.5 35 35 A V H X S+ 0 0 47 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.914 113.6 44.0 -42.8 -48.3 3.9 -39.1 64.7 36 36 A E H >X S+ 0 0 148 -4,-1.9 4,-2.0 -5,-0.2 3,-1.0 0.988 113.1 46.9 -63.5 -61.7 0.7 -40.3 63.1 37 37 A I H 3X S+ 0 0 42 -4,-2.7 4,-1.5 1,-0.3 -1,-0.2 0.839 115.0 50.4 -48.8 -36.8 1.5 -39.4 59.5 38 38 A C H 3X S+ 0 0 0 -4,-3.7 4,-2.6 2,-0.2 -1,-0.3 0.797 105.1 54.0 -74.3 -30.3 4.9 -41.1 60.0 39 39 A T H S+ 0 0 24 -4,-1.5 5,-1.5 -5,-0.2 4,-1.0 0.940 108.4 59.5 -68.7 -47.2 4.4 -44.2 56.1 42 42 A E H ><5S+ 0 0 62 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.905 108.4 44.8 -45.9 -49.2 6.4 -46.5 58.2 43 43 A K H 3<5S+ 0 0 168 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.840 107.8 57.8 -67.3 -32.1 3.8 -49.2 57.6 44 44 A E H 3<5S- 0 0 74 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.603 115.5-119.5 -73.1 -8.7 3.8 -48.4 53.9 45 45 A G T <<5S+ 0 0 29 -3,-1.1 -3,-0.2 -4,-1.0 -2,-0.1 0.433 83.2 118.2 86.1 0.4 7.5 -49.1 53.9 46 46 A K S - 0 0 36 -2,-0.3 3,-0.6 86,-0.1 -1,-0.1 -0.026 41.0 -85.7 -94.8-163.2 18.7 -45.3 65.8 52 52 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.642 104.3 91.9 -77.2 -19.7 21.4 -42.8 67.1 53 53 A E T 3 + 0 0 166 2,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.877 68.3 87.0 -42.5 -45.3 23.9 -44.3 64.7 54 54 A N < - 0 0 11 -3,-0.6 -4,-0.0 1,-0.2 69,-0.0 -0.440 54.1-176.2 -67.6 117.8 22.8 -41.6 62.2 55 55 A P + 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.487 62.4 86.4 -88.1 -6.2 24.7 -38.3 62.6 56 56 A Y + 0 0 25 66,-0.2 -36,-0.3 -36,-0.1 2,-0.3 -0.548 52.0 168.9 -96.0 159.7 22.6 -36.7 59.9 57 57 A N B -b 20 0B 12 -38,-2.1 -36,-2.1 -2,-0.2 69,-0.3 -0.916 19.1-158.1-171.2 143.3 19.2 -35.0 60.2 58 58 A T B -d 126 0C 0 67,-1.3 69,-0.8 -2,-0.3 2,-0.2 -0.972 33.7-106.1-126.6 140.5 16.7 -32.8 58.3 59 59 A P - 0 0 8 0, 0.0 13,-2.8 0, 0.0 2,-0.4 -0.421 29.7-158.6 -67.8 131.9 14.0 -30.6 59.8 60 60 A V E -F 71 0D 0 67,-0.4 11,-0.2 11,-0.2 2,-0.2 -0.860 12.4-173.0-110.5 147.7 10.4 -31.7 59.5 61 61 A F E -F 70 0D 44 9,-2.8 9,-1.2 -2,-0.4 2,-0.4 -0.640 19.9-122.6-128.5-174.1 7.4 -29.3 59.8 62 62 A A E +F 69 0D 9 7,-0.2 2,-0.2 -2,-0.2 7,-0.2 -0.959 35.4 152.2-140.6 119.4 3.7 -29.3 60.0 63 63 A I E F 68 0D 68 5,-2.7 5,-3.0 -2,-0.4 -2,-0.0 -0.719 360.0 360.0-132.8-178.3 1.3 -27.5 57.6 64 64 A K 0 0 154 3,-0.2 3,-0.2 -2,-0.2 -2,-0.0 -0.922 360.0 360.0-156.1 360.0 -2.3 -27.8 56.3 65 ! 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 66 70 A K 0 0 204 0, 0.0 2,-0.2 0, 0.0 -33,-0.0 0.000 360.0 360.0 360.0-174.5 -5.9 -32.1 58.8 67 71 A W - 0 0 48 -3,-0.2 2,-0.4 -34,-0.0 -3,-0.2 -0.580 360.0-158.1 -95.4 160.2 -2.2 -31.7 58.9 68 72 A R E -F 63 0D 137 -5,-3.0 -5,-2.7 -2,-0.2 2,-0.2 -0.995 21.2-124.0-135.8 135.4 0.4 -32.5 56.1 69 73 A K E -F 62 0D 32 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.583 21.0-165.0 -85.4 146.4 4.1 -33.0 56.9 70 74 A L E -F 61 0D 78 -9,-1.2 -9,-2.8 -2,-0.2 2,-0.5 -0.971 2.6-162.9-135.2 121.2 6.8 -31.0 55.3 71 75 A V E -F 60 0D 12 -2,-0.4 2,-1.0 -11,-0.2 -11,-0.2 -0.867 14.4-141.2-104.3 130.7 10.5 -32.0 55.3 72 76 A D + 0 0 36 -13,-2.8 3,-0.5 -2,-0.5 4,-0.2 -0.740 29.1 164.7 -96.3 95.3 13.1 -29.3 54.4 73 77 A F > + 0 0 1 -2,-1.0 4,-3.4 1,-0.2 5,-0.4 0.384 38.7 117.3 -88.3 3.2 15.9 -31.0 52.3 74 78 A R H > S+ 0 0 165 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.829 81.8 46.2 -37.5 -42.6 17.3 -27.6 51.1 75 79 A E H > S+ 0 0 47 -3,-0.5 4,-1.3 2,-0.2 3,-0.3 0.936 112.5 46.8 -69.4 -49.2 20.5 -28.6 53.0 76 80 A L H >> S+ 0 0 0 1,-0.2 3,-0.9 -3,-0.2 4,-0.6 0.938 110.5 54.7 -58.7 -44.7 20.6 -32.2 51.6 77 81 A N H >< S+ 0 0 36 -4,-3.4 3,-0.5 1,-0.3 -1,-0.2 0.817 103.0 56.5 -58.8 -31.5 20.0 -30.8 48.2 78 82 A K H 3< S+ 0 0 128 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.835 114.4 39.3 -68.8 -30.3 22.9 -28.5 48.6 79 83 A R H << S+ 0 0 65 -4,-1.3 -66,-2.4 -3,-0.9 2,-0.4 0.337 94.9 101.5-102.6 6.0 25.1 -31.5 49.2 80 84 A T B << S-A 12 0A 0 -4,-0.6 -68,-0.3 -3,-0.5 -70,-0.0 -0.756 77.7-104.4 -96.9 140.1 23.6 -34.0 46.7 81 85 A Q - 0 0 26 -70,-2.5 2,-0.2 -2,-0.4 -1,-0.1 0.090 41.2 -99.8 -49.2 166.8 25.3 -34.7 43.4 82 86 A D - 0 0 69 500,-0.1 2,-0.3 -70,-0.1 -1,-0.1 -0.564 35.1-156.6 -90.3 158.5 24.0 -33.2 40.2 83 87 A F - 0 0 17 -2,-0.2 2,-0.4 501,-0.1 499,-0.2 -0.796 39.3 -73.9-127.6 170.2 21.8 -35.1 37.8 84 88 A W S S- 0 0 39 497,-1.7 3,-0.1 -2,-0.3 501,-0.1 -0.540 72.2 -91.3 -65.6 122.4 21.0 -34.8 34.2 85 89 A E - 0 0 75 -2,-0.4 2,-1.1 499,-0.3 3,-0.3 -0.069 42.3-112.3 -40.2 121.7 18.7 -31.7 34.1 86 90 A V - 0 0 65 1,-0.2 -1,-0.2 -3,-0.1 67,-0.1 -0.454 67.6 -62.8 -63.1 95.6 15.1 -32.9 34.4 87 91 A Q - 0 0 41 -2,-1.1 -1,-0.2 1,-0.1 -2,-0.0 0.754 60.3-170.3 21.4 95.9 13.8 -32.0 30.9 88 92 A L + 0 0 145 -3,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.808 60.8 78.1 -80.7 -30.5 14.1 -28.2 30.9 89 93 A G S S- 0 0 29 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.650 74.4-140.6 -83.5 135.2 12.2 -27.5 27.7 90 94 A I - 0 0 71 -2,-0.3 2,-0.1 1,-0.1 568,-0.1 -0.749 22.4-103.1 -99.0 143.6 8.4 -27.7 27.9 91 95 A P - 0 0 10 0, 0.0 566,-0.1 0, 0.0 286,-0.1 -0.374 31.2-143.7 -62.4 128.7 6.0 -29.2 25.3 92 96 A H > - 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C 0 663P 11 -64,-0.8 -62,-0.2 -2,-0.3 12,-0.2 -0.966 3.5-147.9-129.5 136.8 21.7 -37.2 24.6 652 132 B I E - C 0 662P 2 10,-1.4 10,-1.1 -2,-0.4 2,-0.1 -0.896 32.5-128.8-100.1 121.5 19.3 -37.7 21.7 653 133 B P - 0 0 23 0, 0.0 2,-0.6 0, 0.0 -100,-0.0 -0.393 10.2-139.5 -72.0 142.7 16.6 -34.9 21.6 654 134 B S > - 0 0 34 5,-0.4 3,-1.3 -2,-0.1 4,-0.2 -0.913 30.6-105.1-107.7 122.3 12.9 -35.6 21.4 655 135 B I G > S+ 0 0 29 -2,-0.6 3,-1.5 1,-0.3 -278,-0.2 -0.089 100.7 0.8 -45.7 130.2 10.8 -33.4 19.2 656 136 B N G 3 S- 0 0 2 -280,-3.5 -1,-0.3 1,-0.3 -279,-0.1 0.862 118.7 -81.0 55.1 39.1 8.7 -30.8 21.1 657 137 B N G < S+ 0 0 39 -3,-1.3 -1,-0.3 -281,-0.3 -2,-0.2 0.742 88.3 146.0 40.2 32.8 10.1 -32.1 24.4 658 138 B E < + 0 0 38 -3,-1.5 -481,-1.4 -4,-0.2 -1,-0.1 0.840 67.9 16.4 -65.4 -32.7 7.6 -35.0 24.2 659 139 B T S S- 0 0 33 -483,-0.2 -5,-0.4 -4,-0.1 -1,-0.2 -0.992 89.2-100.5-141.3 144.3 9.9 -37.4 25.8 660 140 B P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 -574,-0.0 -0.396 56.5-100.3 -61.3 147.7 13.1 -37.1 27.8 661 141 B G - 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