==== 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 27-JUN-08 3DLG . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . 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) . 46205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 14.9 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 . 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 8.7 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 . 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 3 2 2 1 1 0 0 1 3 1 2 1 3 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 3 6 2 1 3 5 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 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 91 0, 0.0 112,-0.4 0, 0.0 209,-0.2 0.000 360.0 360.0 360.0 145.4 3.5 -49.9 48.2 2 2 A I - 0 0 59 42,-0.2 112,-0.2 110,-0.1 207,-0.1 -0.545 360.0-108.8 -89.5 158.0 7.1 -49.6 47.2 3 3 A S - 0 0 6 110,-1.2 2,-2.0 -2,-0.2 205,-0.2 -0.716 11.6-131.6 -93.6 138.5 8.5 -50.6 43.8 4 4 A P + 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.232 66.1 130.1 -78.1 49.3 10.7 -53.7 43.1 5 5 A I - 0 0 17 -2,-2.0 -2,-0.1 202,-0.1 153,-0.0 -0.881 65.3-100.3-113.5 141.9 13.0 -51.5 41.1 6 6 A E - 0 0 149 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 -0.016 41.5-115.0 -46.6 153.8 16.8 -51.2 41.3 7 7 A T - 0 0 19 109,-0.1 109,-0.1 107,-0.0 -1,-0.1 -0.641 19.1-123.0 -94.5 156.1 18.1 -48.1 43.2 8 8 A V - 0 0 15 107,-0.3 2,-0.7 -2,-0.2 109,-0.3 -0.860 32.2-112.6 -97.9 130.3 20.2 -45.4 41.6 9 9 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 571,-0.0 -0.513 40.9-169.8 -67.9 107.7 23.6 -44.8 43.2 10 10 A V - 0 0 8 -2,-0.7 2,-0.3 70,-0.0 572,-0.0 -0.742 7.3-177.3-102.8 146.7 23.5 -41.4 44.9 11 11 A K - 0 0 155 -2,-0.3 70,-2.4 71,-0.1 2,-0.3 -0.914 26.6-111.2-137.1 162.6 26.4 -39.4 46.4 12 12 A L B -A 80 0A 29 -2,-0.3 3,-0.3 68,-0.3 68,-0.3 -0.712 51.9 -82.1 -94.5 147.9 26.9 -36.1 48.3 13 13 A K S > S- 0 0 62 66,-2.2 3,-1.1 -2,-0.3 -1,-0.2 0.004 79.4 -48.8 -45.4 153.3 28.8 -33.2 46.6 14 14 A P T 3 S- 0 0 128 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.070 117.1 -28.3 -29.6 101.3 32.7 -33.4 46.7 15 15 A G T 3 S+ 0 0 85 -3,-0.3 -2,-0.1 1,-0.2 -3,-0.0 0.152 101.2 132.9 73.6 -22.2 33.8 -34.1 50.3 16 16 A M < - 0 0 84 -3,-1.1 2,-0.2 -2,-0.1 -1,-0.2 -0.145 46.2-136.7 -59.1 158.7 30.7 -32.5 51.9 17 17 A D - 0 0 62 1,-0.1 3,-0.1 -3,-0.1 -4,-0.1 -0.662 26.5 -74.7-117.1 171.2 29.0 -34.4 54.7 18 18 A G - 0 0 0 -2,-0.2 -1,-0.1 1,-0.1 106,-0.1 -0.220 61.0 -89.3 -61.7 154.5 25.4 -35.2 55.7 19 19 A P - 0 0 0 0, 0.0 38,-2.1 0, 0.0 -1,-0.1 -0.282 29.3-169.6 -67.2 148.6 23.3 -32.4 57.3 20 20 A K B +b 57 0B 119 36,-0.3 2,-0.5 -3,-0.1 38,-0.1 -0.501 24.3 163.5-136.1 60.7 23.2 -31.8 61.1 21 21 A V - 0 0 48 36,-2.2 3,-0.1 1,-0.1 54,-0.0 -0.748 40.8-115.0 -90.0 123.3 20.3 -29.4 61.3 22 22 A K - 0 0 191 -2,-0.5 2,-0.6 1,-0.1 -1,-0.1 -0.258 33.2-108.6 -57.5 132.4 18.8 -28.9 64.8 23 23 A Q - 0 0 29 36,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.513 29.0-124.9 -70.2 114.2 15.2 -30.1 65.1 24 24 A W - 0 0 164 -2,-0.6 36,-0.2 1,-0.1 -1,-0.1 -0.411 35.6-114.8 -57.2 120.0 12.8 -27.0 65.4 25 25 A P - 0 0 105 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.300 36.7-160.4 -63.2 143.0 10.9 -27.7 68.7 26 26 A L - 0 0 30 104,-0.3 2,-0.2 -3,-0.1 104,-0.1 -0.719 19.3 -97.5-123.5 172.1 7.1 -28.3 68.4 27 27 A T >> - 0 0 72 -2,-0.2 4,-2.6 1,-0.1 3,-0.7 -0.489 37.6-111.7 -84.4 155.5 3.9 -28.3 70.5 28 28 A E H 3> S+ 0 0 105 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.835 120.3 59.0 -55.4 -32.3 2.4 -31.5 72.0 29 29 A E H 3> S+ 0 0 120 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.876 110.3 39.8 -64.8 -39.4 -0.4 -31.0 69.4 30 30 A K H <> S+ 0 0 60 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.849 111.7 55.7 -79.8 -36.2 2.0 -31.1 66.5 31 31 A I H X S+ 0 0 15 -4,-2.6 4,-3.0 1,-0.2 3,-0.2 0.942 106.3 51.2 -61.8 -48.3 4.2 -33.9 67.8 32 32 A K H X S+ 0 0 136 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.889 109.7 50.2 -55.1 -43.8 1.2 -36.3 68.3 33 33 A A H X S+ 0 0 18 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.840 113.8 45.4 -64.1 -35.6 0.1 -35.6 64.7 34 34 A L H X S+ 0 0 2 -4,-1.7 4,-2.7 -3,-0.2 -2,-0.2 0.874 107.9 56.1 -73.7 -43.2 3.7 -36.3 63.4 35 35 A V H X S+ 0 0 47 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.839 112.3 45.2 -57.7 -34.2 4.0 -39.4 65.5 36 36 A E H >X S+ 0 0 144 -4,-1.5 4,-1.8 -5,-0.2 3,-0.8 0.970 112.0 47.2 -74.6 -58.6 0.9 -40.7 63.8 37 37 A I H 3X S+ 0 0 39 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.868 114.9 50.6 -50.6 -39.5 1.7 -39.8 60.2 38 38 A C H 3X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -1,-0.3 0.772 104.8 53.3 -73.4 -28.5 5.1 -41.4 60.8 39 39 A T H S+ 0 0 35 -4,-1.7 5,-1.7 -5,-0.2 6,-1.1 0.785 109.0 58.6 -71.8 -28.1 4.7 -44.4 56.9 42 42 A E H <5S+ 0 0 63 -4,-1.4 3,-0.4 4,-0.2 -2,-0.2 0.887 107.4 45.3 -68.3 -40.2 6.7 -46.8 59.0 43 43 A K H <5S+ 0 0 167 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.818 108.4 56.9 -72.9 -33.1 4.3 -49.7 58.4 44 44 A E H <5S- 0 0 78 -4,-1.4 -42,-0.2 -5,-0.1 -1,-0.2 0.660 116.5-117.0 -71.7 -15.4 4.1 -48.9 54.6 45 45 A G T <5S+ 0 0 26 -4,-0.6 -3,-0.2 -3,-0.4 -2,-0.1 0.439 83.3 118.2 93.4 2.4 7.9 -49.3 54.6 46 46 A K S - 0 0 38 -2,-0.3 3,-0.6 1,-0.1 -1,-0.1 0.049 40.3 -90.7 -84.8-168.1 19.2 -45.2 66.4 52 52 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.512 102.1 95.0 -81.6 -9.3 21.7 -42.6 67.6 53 53 A E T 3 + 0 0 162 2,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.926 67.7 86.8 -47.1 -46.3 24.3 -44.0 65.3 54 54 A N < - 0 0 12 -3,-0.6 -4,-0.0 1,-0.2 -1,-0.0 -0.396 54.5-175.6 -65.4 115.7 23.2 -41.3 62.8 55 55 A P + 0 0 66 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.479 62.2 86.8 -86.5 -4.4 25.0 -37.9 63.3 56 56 A Y + 0 0 26 66,-0.2 -36,-0.3 -36,-0.1 2,-0.3 -0.543 52.1 171.8 -97.0 160.5 22.8 -36.3 60.6 57 57 A N B -b 20 0B 14 -38,-2.1 -36,-2.2 -2,-0.2 69,-0.3 -0.916 19.8-159.1-171.4 141.2 19.3 -34.7 60.8 58 58 A T B -d 126 0C 0 67,-1.9 69,-0.8 -2,-0.3 2,-0.2 -0.967 34.0-109.8-123.5 139.2 16.7 -32.7 58.9 59 59 A P - 0 0 6 0, 0.0 13,-2.2 0, 0.0 2,-0.4 -0.438 27.5-154.6 -71.1 137.4 14.0 -30.6 60.5 60 60 A V E -F 71 0D 0 67,-0.4 11,-0.2 11,-0.2 2,-0.2 -0.885 13.5-173.9-113.2 145.4 10.4 -31.7 60.3 61 61 A F E -F 70 0D 40 9,-2.9 9,-1.5 -2,-0.4 2,-0.4 -0.655 20.4-123.1-126.9-177.5 7.3 -29.4 60.5 62 62 A A E +F 69 0D 9 7,-0.2 2,-0.2 -2,-0.2 7,-0.2 -0.978 35.7 152.0-137.1 121.0 3.6 -29.5 60.7 63 63 A I E F 68 0D 69 5,-2.9 5,-3.4 -2,-0.4 7,-0.0 -0.678 360.0 360.0-132.4-174.8 1.2 -27.7 58.2 64 64 A K 0 0 155 3,-0.3 3,-0.1 -2,-0.2 -2,-0.0 -0.958 360.0 360.0-163.8 360.0 -2.3 -28.2 56.8 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 0 194 0, 0.0 2,-0.2 0, 0.0 -33,-0.0 0.000 360.0 360.0 360.0-172.3 -6.0 -32.7 59.6 67 71 A W - 0 0 48 -3,-0.1 2,-0.4 -34,-0.0 -3,-0.3 -0.639 360.0-154.1 -96.7 155.3 -2.2 -32.0 59.6 68 72 A R E -F 63 0D 130 -5,-3.4 -5,-2.9 -2,-0.2 2,-0.2 -0.982 20.1-125.0-126.7 136.6 0.3 -32.7 56.9 69 73 A K E -F 62 0D 33 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.588 21.1-164.6 -85.3 146.8 4.0 -33.3 57.6 70 74 A L E -F 61 0D 77 -9,-1.5 -9,-2.9 -2,-0.2 2,-0.6 -0.966 5.0-163.1-135.7 120.2 6.8 -31.2 56.0 71 75 A V E -F 60 0D 12 -2,-0.4 2,-1.1 75,-0.3 -11,-0.2 -0.888 14.6-144.1-104.0 121.6 10.5 -32.1 55.9 72 76 A D + 0 0 34 -13,-2.2 3,-0.5 -2,-0.6 4,-0.2 -0.715 27.9 166.3 -89.6 95.7 12.9 -29.3 55.0 73 77 A F > + 0 0 2 -2,-1.1 4,-3.3 1,-0.2 3,-0.5 0.313 37.3 118.4 -89.9 5.1 15.7 -30.9 52.9 74 78 A R H > S+ 0 0 166 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.828 81.4 45.8 -39.9 -40.2 17.1 -27.5 51.8 75 79 A E H > S+ 0 0 47 -3,-0.5 4,-1.1 2,-0.2 3,-0.4 0.886 111.3 48.8 -74.8 -40.8 20.3 -28.5 53.5 76 80 A L H >> S+ 0 0 0 -3,-0.5 3,-1.1 1,-0.2 4,-0.8 0.953 109.5 54.9 -63.1 -44.8 20.5 -32.0 52.2 77 81 A N H 3< S+ 0 0 42 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.743 102.8 56.7 -58.9 -24.8 19.8 -30.6 48.7 78 82 A K H 3< S+ 0 0 130 -4,-0.7 -1,-0.3 -5,-0.4 -2,-0.2 0.806 113.8 39.2 -76.7 -27.8 22.8 -28.3 49.2 79 83 A R H << S+ 0 0 61 -3,-1.1 -66,-2.2 -4,-1.1 2,-0.4 0.384 94.1 103.6-103.2 2.9 25.0 -31.3 49.8 80 84 A T B < S-A 12 0A 0 -4,-0.8 -68,-0.3 -68,-0.3 -70,-0.0 -0.732 76.9-107.2 -92.8 135.6 23.6 -33.7 47.3 81 85 A Q - 0 0 26 -70,-2.4 2,-0.2 -2,-0.4 -1,-0.1 0.079 41.2 -99.2 -47.2 163.9 25.4 -34.4 44.0 82 86 A D - 0 0 68 500,-0.1 2,-0.3 -70,-0.1 -1,-0.1 -0.517 36.3-156.6 -88.1 159.6 24.0 -32.9 40.8 83 87 A F - 0 0 17 -2,-0.2 2,-0.5 501,-0.1 499,-0.2 -0.763 37.3 -72.4-126.9 174.3 21.8 -34.9 38.4 84 88 A W - 0 0 42 497,-1.4 3,-0.1 -2,-0.3 501,-0.1 -0.600 69.5 -90.6 -71.7 122.7 21.0 -34.6 34.7 85 89 A E - 0 0 74 -2,-0.5 2,-0.5 499,-0.2 3,-0.5 -0.061 45.3-115.1 -38.2 101.8 18.6 -31.6 34.4 86 90 A V - 0 0 60 1,-0.2 -1,-0.2 2,-0.1 67,-0.1 -0.218 67.1 -60.8 -46.5 94.9 15.2 -33.2 34.8 87 91 A Q - 0 0 35 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.0 0.747 68.3-172.3 19.7 94.2 13.8 -32.5 31.2 88 92 A L + 0 0 131 -3,-0.5 2,-0.4 2,-0.1 -1,-0.1 0.905 56.0 76.4 -81.0 -43.0 13.9 -28.7 31.3 89 93 A G S S- 0 0 31 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.569 74.2-142.9 -73.6 126.0 12.1 -27.6 28.1 90 94 A I - 0 0 74 -2,-0.4 568,-0.1 1,-0.1 567,-0.1 -0.663 22.5-100.8 -91.4 145.1 8.4 -27.9 28.5 91 95 A P - 0 0 14 0, 0.0 566,-0.1 0, 0.0 -1,-0.1 -0.246 26.0-139.5 -62.5 143.0 6.1 -29.0 25.5 92 96 A H >> - 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0 0 3 72,-0.2 4,-2.5 3,-0.1 3,-0.8 0.112 63.2 -89.5 -54.6 173.0 2.5 -38.7 41.5 109 113 A D T 34 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.2 35,-0.0 0.834 125.3 59.8 -57.1 -36.5 4.3 -39.5 44.8 110 114 A A T 34 S+ 0 0 70 1,-0.2 -1,-0.3 3,-0.0 100,-0.1 0.875 121.1 28.3 -60.0 -35.6 1.1 -40.6 46.6 111 115 A Y T <4 S+ 0 0 43 -3,-0.8 99,-0.7 1,-0.2 2,-0.5 0.627 122.1 61.9 -97.4 -19.4 0.6 -43.2 43.9 112 116 A F < + 0 0 13 -4,-2.5 2,-0.5 97,-0.2 -1,-0.2 -0.931 54.3 169.4-121.5 117.0 4.4 -43.6 43.2 113 117 A S - 0 0 8 -2,-0.5 -110,-1.2 95,-0.5 -3,-0.0 -0.982 8.5-174.7-126.0 120.1 7.0 -44.8 45.7 114 118 A V - 0 0 5 -2,-0.5 30,-2.4 -112,-0.2 41,-0.1 -0.930 29.4-110.1-115.2 136.2 10.5 -45.6 44.6 115 119 A P B -J 143 0G 18 0, 0.0 28,-0.3 0, 0.0 -107,-0.3 -0.284 31.3-126.0 -65.1 149.8 13.2 -47.1 46.9 116 120 A L - 0 0 2 26,-2.2 2,-0.4 -109,-0.1 5,-0.1 -0.689 34.3 -87.8 -98.3 148.2 16.2 -44.9 47.9 117 121 A D >> - 0 0 12 -109,-0.3 3,-1.8 -2,-0.3 4,-1.4 -0.378 38.7-142.3 -55.4 108.2 19.9 -45.8 47.5 118 122 A E T 34 S+ 0 0 97 -2,-0.4 4,-0.4 1,-0.3 -1,-0.2 0.786 99.2 59.2 -42.8 -38.2 20.4 -47.7 50.8 119 123 A D T 34 S+ 0 0 114 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.873 110.7 41.5 -61.1 -38.8 23.9 -46.1 51.1 120 124 A F T X4 S+ 0 0 2 -3,-1.8 3,-2.1 1,-0.2 4,-0.4 0.679 86.8 92.3 -84.2 -22.9 22.3 -42.6 51.0 121 125 A R G >< S+ 0 0 46 -4,-1.4 3,-1.1 1,-0.3 20,-0.4 0.710 74.9 68.3 -48.0 -26.8 19.3 -43.2 53.3 122 126 A K G > S+ 0 0 66 -3,-0.4 3,-1.2 -4,-0.4 -1,-0.3 0.799 90.9 60.3 -66.9 -28.1 21.3 -42.1 56.4 123 127 A Y G < S+ 0 0 37 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.645 95.4 64.1 -74.8 -12.5 21.5 -38.4 55.2 124 128 A T G < S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.348 74.2 138.4 -91.8 5.1 17.7 -38.2 55.2 125 129 A A < + 0 0 0 -3,-1.2 -67,-1.9 15,-0.2 2,-0.3 -0.196 25.7 174.2 -56.0 136.8 17.4 -38.7 59.0 126 130 A F E -dE 58 139C 0 13,-1.3 13,-2.1 -69,-0.3 2,-0.4 -0.930 20.6-130.1-140.3 164.2 14.9 -36.5 60.9 127 131 A T E - 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