==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 07-NOV-09 3KLH . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR X.TU,S.G.SARAFIANOS,E.ARNOLD . 1422 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 891 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 299 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.6 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 . 139 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 0.9 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 2 2 2 2 0 1 0 1 2 3 0 4 0 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 4 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 0 PARALLEL BRIDGES PER LADDER . 11 7 8 5 7 16 1 0 3 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 . 5 3 8 3 1 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 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 0 126 0, 0.0 214,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-139.9 41.4 20.8 26.9 2 2 A I - 0 0 70 1,-0.1 116,-0.1 212,-0.1 115,-0.1 -0.304 360.0 -91.2 -94.5-174.7 38.8 17.9 26.7 3 3 A S - 0 0 14 114,-0.4 210,-0.2 -2,-0.1 209,-0.1 -0.772 12.9-158.6-109.2 148.6 36.8 17.0 23.6 4 4 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.130 55.1 132.8-100.5 15.9 33.4 18.2 22.3 5 5 A I S S- 0 0 15 207,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.532 71.5-102.1 -70.5 128.9 33.3 15.0 20.2 6 6 A E - 0 0 178 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.226 46.2-110.3 -50.7 135.3 30.0 13.2 20.5 7 7 A T - 0 0 43 113,-0.1 113,-0.1 1,-0.1 -1,-0.1 -0.444 21.7-124.5 -71.9 137.7 30.5 10.3 22.9 8 8 A V - 0 0 21 111,-0.4 113,-0.6 -2,-0.2 2,-0.2 -0.749 29.2-123.4 -86.2 125.8 30.5 6.7 21.6 9 9 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.422 30.6-175.7 -69.0 130.9 27.9 4.5 23.4 10 10 A V - 0 0 5 -2,-0.2 2,-0.2 77,-0.0 602,-0.0 -0.969 3.6-170.1-131.3 146.5 29.1 1.4 25.1 11 11 A K - 0 0 159 -2,-0.4 74,-2.2 601,-0.1 2,-0.3 -0.619 26.3-103.7-122.4-177.6 27.2 -1.4 27.0 12 12 A L B -A 84 0A 23 72,-0.3 72,-0.3 -2,-0.2 3,-0.2 -0.802 54.6 -79.7-107.0 153.4 28.0 -4.4 29.1 13 13 A K S > S- 0 0 54 70,-3.5 3,-1.5 -2,-0.3 -1,-0.1 -0.245 70.4 -77.1 -50.4 134.9 27.8 -7.9 27.7 14 14 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.029 117.1 8.4 -38.6 112.3 24.1 -9.1 27.7 15 15 A G T 3 S+ 0 0 90 1,-0.3 2,-0.3 -3,-0.2 -2,-0.1 0.692 101.5 117.3 88.0 19.1 23.0 -10.1 31.2 16 16 A M < - 0 0 83 -3,-1.5 -1,-0.3 67,-0.1 2,-0.2 -0.827 47.8-149.0-118.4 159.1 26.0 -8.8 33.1 17 17 A D - 0 0 69 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.547 35.7 -78.4-113.4-179.6 26.5 -6.2 35.8 18 18 A G - 0 0 0 -2,-0.2 2,-0.5 1,-0.1 -1,-0.2 -0.245 57.5 -75.4 -79.6 171.5 29.5 -4.0 36.6 19 19 A P + 0 0 0 0, 0.0 38,-2.9 0, 0.0 2,-0.5 -0.509 40.7 178.8 -70.9 115.0 32.7 -4.9 38.5 20 20 A K B +b 57 0B 136 -2,-0.5 2,-0.5 36,-0.3 38,-0.2 -0.674 21.7 157.7-116.1 72.5 32.2 -5.1 42.2 21 21 A V - 0 0 26 36,-2.1 58,-0.0 -2,-0.5 0, 0.0 -0.874 42.0-116.3-101.0 126.2 35.8 -6.0 43.2 22 22 A K - 0 0 162 -2,-0.5 2,-0.4 1,-0.1 -1,-0.0 -0.168 27.5-121.3 -60.3 153.1 37.0 -5.3 46.8 23 23 A Q - 0 0 37 36,-0.1 -1,-0.1 35,-0.0 109,-0.1 -0.783 19.4-127.5 -98.3 138.2 39.9 -2.9 47.3 24 24 A W - 0 0 112 -2,-0.4 2,-0.4 1,-0.1 36,-0.1 -0.575 30.1-105.1 -84.4 145.9 43.1 -3.9 49.0 25 25 A P - 0 0 126 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.572 42.6-160.0 -71.6 124.4 44.3 -1.8 51.9 26 26 A L - 0 0 21 -2,-0.4 2,-0.2 108,-0.2 35,-0.0 -0.607 24.1 -89.5 -99.6 166.8 47.2 0.3 50.7 27 27 A T >> - 0 0 75 -2,-0.2 4,-3.3 1,-0.1 3,-1.1 -0.507 30.0-117.6 -80.8 144.2 50.0 1.9 52.7 28 28 A E H 3> S+ 0 0 129 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.753 119.1 56.0 -46.6 -28.1 49.6 5.5 54.0 29 29 A E H 3> S+ 0 0 131 2,-0.2 4,-0.7 1,-0.1 -1,-0.3 0.893 111.4 39.6 -72.6 -44.3 52.6 6.2 51.8 30 30 A K H <> S+ 0 0 48 -3,-1.1 4,-1.8 2,-0.2 3,-0.4 0.897 114.4 55.1 -73.5 -42.0 50.9 4.9 48.7 31 31 A I H X S+ 0 0 2 -4,-3.3 4,-2.3 1,-0.2 3,-0.4 0.955 104.3 50.9 -56.5 -56.5 47.6 6.4 49.6 32 32 A K H X S+ 0 0 121 -4,-1.8 4,-1.1 1,-0.3 -1,-0.2 0.759 109.6 53.6 -54.5 -27.8 48.8 10.0 50.0 33 33 A A H X S+ 0 0 9 -4,-0.7 4,-1.9 -3,-0.4 -1,-0.3 0.905 107.1 49.5 -74.2 -44.0 50.5 9.8 46.6 34 34 A L H X S+ 0 0 2 -4,-1.8 4,-3.4 -3,-0.4 5,-0.3 0.904 103.7 61.1 -62.1 -42.1 47.3 8.7 44.9 35 35 A V H X S+ 0 0 44 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.887 104.9 47.3 -53.3 -43.2 45.4 11.5 46.5 36 36 A E H X S+ 0 0 130 -4,-1.1 4,-1.5 -3,-0.2 -1,-0.2 0.961 114.2 47.8 -63.6 -49.0 47.6 14.1 44.8 37 37 A I H X S+ 0 0 48 -4,-1.9 4,-2.4 1,-0.2 3,-0.3 0.932 115.2 43.3 -57.3 -51.8 47.3 12.3 41.5 38 38 A C H X S+ 0 0 2 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.848 110.1 54.8 -65.4 -35.1 43.5 12.0 41.6 39 39 A T H X S+ 0 0 71 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.802 112.5 47.8 -67.6 -24.8 42.9 15.5 42.9 40 40 A E H X S+ 0 0 84 -4,-1.5 4,-1.9 -3,-0.3 -2,-0.2 0.916 112.0 45.3 -77.8 -47.9 44.9 16.5 39.8 41 41 A L H <>S+ 0 0 21 -4,-2.4 5,-1.9 2,-0.2 6,-1.2 0.793 115.4 49.6 -66.4 -29.8 43.0 14.3 37.4 42 42 A E H ><5S+ 0 0 65 -4,-2.3 3,-1.2 4,-0.2 -1,-0.2 0.869 108.9 52.1 -75.7 -38.3 39.8 15.5 39.0 43 43 A K H 3<5S+ 0 0 174 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 110.2 49.2 -65.4 -31.7 40.9 19.1 38.7 44 44 A E T 3<5S- 0 0 100 -4,-1.9 -1,-0.2 -43,-0.0 -2,-0.2 0.350 117.9-111.5 -90.8 5.9 41.6 18.5 35.0 45 45 A G T < 5S+ 0 0 23 -3,-1.2 -3,-0.2 2,-0.2 -4,-0.1 0.436 86.5 115.4 80.7 1.8 38.2 17.0 34.3 46 46 A K S - 0 0 24 -2,-0.3 3,-1.2 1,-0.1 -1,-0.1 -0.150 32.2-104.3 -77.3 171.5 27.9 9.3 45.1 52 52 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.733 114.5 74.4 -67.9 -17.5 27.4 6.6 47.7 53 53 A E T 3 + 0 0 162 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.786 68.9 97.8 -64.3 -31.6 24.9 5.1 45.3 54 54 A N < - 0 0 15 -3,-1.2 -4,-0.1 1,-0.2 73,-0.0 -0.494 51.2-174.7 -67.3 112.0 27.5 3.7 43.0 55 55 A P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.248 50.5 96.4 -90.9 9.9 28.0 0.0 43.9 56 56 A Y + 0 0 25 70,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.761 40.8 162.2-107.7 152.9 30.9 -0.7 41.5 57 57 A N B -b 20 0B 19 -38,-2.9 -36,-2.1 -2,-0.3 73,-0.2 -0.972 17.0-163.0-160.3 149.1 34.6 -0.6 42.1 58 58 A T - 0 0 1 71,-0.5 73,-0.6 -2,-0.3 19,-0.1 -0.964 42.2 -87.5-134.0 147.7 37.7 -2.0 40.4 59 59 A P - 0 0 6 0, 0.0 17,-2.2 0, 0.0 2,-0.4 -0.329 42.6-177.0 -59.2 132.1 41.1 -2.4 42.1 60 60 A V E +E 75 0D 1 71,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.951 7.7 166.2-134.2 113.3 43.4 0.6 42.0 61 61 A F E -E 74 0D 59 13,-1.7 13,-1.1 -2,-0.4 2,-0.3 -0.928 30.4-122.0-126.8 153.7 46.9 0.5 43.4 62 62 A A E -E 73 0D 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.684 25.3-175.7 -94.5 148.1 49.8 2.8 43.0 63 63 A I E -E 72 0D 85 9,-1.5 9,-2.8 -2,-0.3 2,-0.3 -0.998 16.1-134.9-143.9 139.5 53.2 1.9 41.6 64 64 A K E -E 71 0D 64 -2,-0.3 2,-0.5 7,-0.3 7,-0.2 -0.743 21.1-115.6 -99.0 143.9 56.4 3.9 41.2 65 65 A K > - 0 0 122 5,-2.5 4,-2.1 -2,-0.3 5,-0.1 -0.638 20.5-136.9 -76.2 124.0 58.7 4.1 38.2 66 66 A K T 4 S+ 0 0 177 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.413 100.0 39.3 -64.8 4.8 62.1 2.6 39.2 67 67 A N T 4 S+ 0 0 141 3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.720 123.1 29.6-117.9 -49.9 63.8 5.5 37.4 68 68 A S T 4 S- 0 0 77 2,-0.2 -2,-0.2 1,-0.0 3,-0.1 0.614 88.8-136.4 -91.1 -13.6 61.9 8.8 38.0 69 69 A T < + 0 0 88 -4,-2.1 2,-0.2 1,-0.3 -3,-0.1 0.380 57.4 142.4 71.7 -3.8 60.6 7.7 41.4 70 70 A R - 0 0 136 -5,-0.1 -5,-2.5 -6,-0.1 2,-0.3 -0.459 49.1-133.3 -69.3 136.6 57.3 9.2 40.3 71 71 A W E -E 64 0D 56 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.3 -0.675 21.6-154.4 -90.4 146.8 54.3 7.2 41.5 72 72 A R E -E 63 0D 139 -9,-2.8 -9,-1.5 -2,-0.3 2,-0.5 -0.981 19.0-117.5-131.5 137.3 51.6 6.4 39.0 73 73 A K E -E 62 0D 31 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.539 35.3-175.5 -69.5 116.0 47.9 5.7 39.2 74 74 A L E -E 61 0D 78 -13,-1.1 -13,-1.7 -2,-0.5 2,-0.5 -0.946 5.9-171.8-119.5 112.0 47.3 2.2 38.0 75 75 A V E -E 60 0D 14 -2,-0.6 2,-1.0 -15,-0.2 -15,-0.2 -0.914 16.3-143.2-106.9 126.8 43.8 1.0 37.7 76 76 A D + 0 0 58 -17,-2.2 3,-0.5 -2,-0.5 4,-0.2 -0.752 20.0 177.7 -91.6 98.4 43.3 -2.7 36.9 77 77 A F > + 0 0 4 -2,-1.0 4,-2.8 75,-0.3 5,-0.3 0.131 39.5 122.3 -88.9 23.6 40.3 -3.1 34.6 78 78 A R H > S+ 0 0 153 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.868 78.5 44.4 -53.7 -39.0 40.5 -6.8 34.1 79 79 A E H 4 S+ 0 0 71 -3,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.909 112.7 48.6 -74.0 -42.0 37.0 -7.4 35.5 80 80 A L H >> S+ 0 0 0 1,-0.2 3,-2.8 2,-0.2 4,-2.0 0.967 109.3 54.8 -60.0 -52.7 35.3 -4.5 33.6 81 81 A N H 3< S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.845 102.6 56.4 -49.4 -38.5 36.9 -5.7 30.4 82 82 A K T 3< S+ 0 0 118 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.644 117.1 36.2 -71.1 -10.4 35.5 -9.1 31.0 83 83 A R T <4 S+ 0 0 57 -3,-2.8 -70,-3.5 -4,-0.5 2,-0.2 0.561 91.1 106.0-116.2 -15.7 32.0 -7.5 31.2 84 84 A T B < S-A 12 0A 0 -4,-2.0 -72,-0.3 -72,-0.3 3,-0.1 -0.496 79.5-101.5 -69.7 131.2 32.4 -4.8 28.6 85 85 A Q - 0 0 21 -74,-2.2 2,-0.4 -2,-0.2 -1,-0.1 0.185 42.4 -92.6 -41.3 167.9 30.5 -5.4 25.3 86 86 A D - 0 0 77 526,-0.1 2,-0.3 -74,-0.1 -1,-0.1 -0.756 37.7-153.3 -91.2 134.1 32.4 -6.7 22.2 87 87 A F - 0 0 15 -2,-0.4 2,-1.2 -3,-0.1 525,-0.2 -0.795 20.9-123.8-103.5 146.7 33.6 -4.0 19.8 88 88 A W - 0 0 30 523,-1.8 525,-0.2 -2,-0.3 2,-0.1 -0.802 41.7-126.4 -86.3 101.8 34.1 -4.7 16.2 89 89 A E - 0 0 86 -2,-1.2 66,-0.0 1,-0.1 -1,-0.0 -0.276 19.8-159.9 -56.2 122.2 37.7 -3.6 16.1 90 90 A V + 0 0 1 -2,-0.1 610,-1.8 609,-0.1 2,-0.6 0.752 64.9 94.6 -74.7 -29.6 38.3 -1.0 13.5 91 91 A Q - 0 0 44 608,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.565 51.3-179.0 -69.5 116.4 42.1 -1.3 13.2 92 92 A L - 0 0 61 -2,-0.6 2,-0.2 1,-0.3 -1,-0.2 0.468 55.9 -30.9 -98.7 -3.5 42.5 -3.8 10.3 93 93 A G - 0 0 23 603,-0.1 -1,-0.3 602,-0.1 0, 0.0 -0.716 69.0 -83.9 160.0 151.8 46.3 -4.2 10.1 94 94 A I - 0 0 92 -2,-0.2 2,-0.1 -3,-0.1 603,-0.1 -0.415 46.2-114.8 -77.5 149.5 49.6 -2.3 10.7 95 95 A P - 0 0 2 0, 0.0 601,-0.1 0, 0.0 -1,-0.1 -0.508 22.8-143.0 -83.2 160.0 50.9 0.0 8.0 96 96 A H > - 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