==== 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 01-JUL-08 3DMJ . 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 . 933 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 63.8 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 . 138 14.8 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 . 57 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 25.5 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 0 2 3 2 1 1 0 0 1 0 4 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 . 8 2 5 3 2 2 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 . 3 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 0 106 0, 0.0 209,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 134.2 3.2 -49.9 47.7 2 2 A I - 0 0 61 42,-0.2 112,-0.2 1,-0.1 111,-0.1 -0.534 360.0-104.5 -85.7 152.6 6.9 -49.4 46.9 3 3 A S - 0 0 5 110,-2.1 2,-0.6 -2,-0.2 205,-0.2 -0.607 10.4-139.4 -84.7 133.9 8.4 -50.2 43.5 4 4 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.079 64.6 126.2 -79.0 34.7 10.6 -53.4 42.8 5 5 A I - 0 0 16 -2,-0.6 -2,-0.1 202,-0.2 153,-0.0 -0.735 68.4-102.6 -97.2 145.5 12.9 -51.2 40.7 6 6 A E - 0 0 158 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.216 41.3-109.7 -62.0 155.8 16.6 -51.0 41.2 7 7 A T - 0 0 24 109,-0.1 109,-0.1 107,-0.1 -1,-0.1 -0.462 18.8-121.5 -87.3 160.5 18.0 -47.9 43.0 8 8 A V - 0 0 7 107,-0.4 2,-0.8 -2,-0.1 109,-0.4 -0.883 32.9-116.0-100.5 128.0 20.0 -45.1 41.4 9 9 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 107,-0.0 -0.543 39.2-172.2 -70.2 107.8 23.4 -44.6 43.2 10 10 A V - 0 0 6 -2,-0.8 2,-0.3 71,-0.0 109,-0.0 -0.705 5.5-174.3-101.7 152.0 23.4 -41.1 44.8 11 11 A K - 0 0 152 -2,-0.3 70,-2.5 71,-0.1 2,-0.2 -0.963 28.6-105.0-141.8 157.2 26.3 -39.3 46.4 12 12 A L B -A 80 0A 25 -2,-0.3 68,-0.3 68,-0.2 3,-0.2 -0.563 54.2 -86.0 -81.4 148.7 26.9 -36.1 48.4 13 13 A K S S- 0 0 52 66,-3.5 -1,-0.2 -2,-0.2 68,-0.1 0.148 75.5 -49.5 -43.7 169.7 28.6 -33.3 46.5 14 14 A P S S- 0 0 124 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 -0.252 115.5 -26.3 -51.3 114.6 32.5 -33.3 46.5 15 15 A G S S+ 0 0 88 -3,-0.2 -2,-0.1 1,-0.2 -3,-0.0 -0.096 104.1 118.0 74.5 -40.0 33.8 -33.7 50.0 16 16 A M - 0 0 72 -2,-1.4 2,-0.2 1,-0.1 -1,-0.2 -0.069 53.5-131.9 -61.4 164.5 30.9 -32.3 52.0 17 17 A D - 0 0 52 1,-0.2 3,-0.1 -3,-0.1 -4,-0.1 -0.634 28.7 -74.4-116.1 169.9 28.8 -34.4 54.5 18 18 A G - 0 0 0 -2,-0.2 -1,-0.2 1,-0.1 106,-0.1 -0.186 63.3 -89.1 -58.8 155.6 25.2 -35.1 55.3 19 19 A P - 0 0 0 0, 0.0 38,-1.6 0, 0.0 -1,-0.1 -0.243 29.9-169.9 -67.9 155.9 23.3 -32.4 57.1 20 20 A K B +b 57 0B 122 36,-0.3 38,-0.2 -3,-0.1 2,-0.1 -0.228 26.5 163.5-138.9 42.1 23.1 -32.0 60.9 21 21 A V - 0 0 50 36,-1.7 2,-0.2 1,-0.1 0, 0.0 -0.404 39.9-111.4 -70.1 138.5 20.4 -29.3 61.2 22 22 A K - 0 0 189 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.474 29.8-113.3 -73.9 135.9 18.7 -28.8 64.6 23 23 A Q - 0 0 30 -2,-0.2 -1,-0.1 36,-0.1 3,-0.1 -0.570 28.1-126.2 -75.0 108.1 15.0 -29.8 64.9 24 24 A W - 0 0 172 -2,-0.7 36,-0.2 1,-0.1 -1,-0.1 -0.254 36.8-105.8 -50.6 131.9 12.8 -26.7 65.4 25 25 A P - 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.313 40.7-154.3 -64.7 146.2 10.7 -27.3 68.7 26 26 A L - 0 0 30 104,-0.3 2,-0.2 -3,-0.1 104,-0.1 -0.789 15.8-106.9-125.0 166.2 7.0 -28.2 68.3 27 27 A T > - 0 0 69 -2,-0.3 4,-3.1 1,-0.1 3,-0.4 -0.503 35.8-113.6 -84.3 155.1 3.7 -28.0 70.2 28 28 A E H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 120.0 58.3 -54.5 -38.4 2.2 -31.2 71.6 29 29 A E H > S+ 0 0 125 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.889 113.0 37.1 -58.0 -43.5 -0.6 -30.7 69.0 30 30 A K H > S+ 0 0 58 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.947 114.8 51.3 -75.9 -51.6 1.9 -30.8 66.2 31 31 A I H X S+ 0 0 12 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.899 109.4 55.9 -51.3 -40.4 4.3 -33.5 67.5 32 32 A K H X S+ 0 0 127 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.927 108.5 45.0 -56.7 -50.4 1.1 -35.5 68.0 33 33 A A H X S+ 0 0 16 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.857 112.6 51.0 -63.6 -39.6 0.1 -35.2 64.3 34 34 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.867 106.2 55.4 -67.2 -38.9 3.6 -36.0 63.1 35 35 A V H X S+ 0 0 48 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.933 112.4 43.1 -59.6 -46.5 3.8 -39.1 65.2 36 36 A E H X S+ 0 0 142 -4,-1.8 4,-1.9 2,-0.2 3,-0.4 0.980 114.2 48.4 -64.3 -57.3 0.6 -40.4 63.6 37 37 A I H X S+ 0 0 45 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.905 114.4 47.2 -47.8 -50.4 1.5 -39.4 60.0 38 38 A C H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.3 0.812 104.5 59.6 -63.4 -34.7 5.0 -41.0 60.4 39 39 A T H X S+ 0 0 71 -4,-1.8 4,-2.1 -3,-0.4 -1,-0.2 0.921 106.8 49.3 -59.4 -43.8 3.5 -44.2 61.9 40 40 A E H X S+ 0 0 86 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.956 112.0 46.1 -58.1 -55.7 1.5 -44.6 58.7 41 41 A M H <>S+ 0 0 11 -4,-1.9 5,-2.8 1,-0.2 6,-0.9 0.845 111.0 53.0 -57.8 -37.4 4.6 -44.1 56.5 42 42 A E H ><5S+ 0 0 67 -4,-2.5 3,-0.7 4,-0.2 -1,-0.2 0.901 111.3 47.2 -64.4 -40.6 6.6 -46.4 58.6 43 43 A K H 3<5S+ 0 0 175 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.931 109.2 53.3 -63.9 -49.2 3.8 -49.0 58.2 44 44 A E T 3<5S- 0 0 76 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.532 118.2-113.9 -65.0 -8.3 3.8 -48.3 54.4 45 45 A G T < 5S+ 0 0 26 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.618 86.1 117.5 83.2 14.4 7.5 -49.0 54.3 46 46 A K S - 0 0 19 -2,-0.3 3,-0.6 1,-0.0 -1,-0.1 -0.080 37.0 -90.8 -94.3-164.6 18.9 -45.1 66.1 52 52 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.508 104.2 89.7 -85.2 -9.2 21.2 -42.3 67.5 53 53 A E T 3 + 0 0 147 1,-0.1 3,-0.0 2,-0.1 -3,-0.0 0.744 68.2 90.7 -59.9 -21.9 24.1 -43.6 65.5 54 54 A N < - 0 0 15 -3,-0.6 -1,-0.1 1,-0.2 -4,-0.0 -0.681 57.3-173.3 -81.4 107.7 23.0 -41.3 62.7 55 55 A P + 0 0 79 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.599 60.1 89.8 -74.6 -12.6 24.7 -37.9 63.2 56 56 A Y + 0 0 29 66,-0.1 -36,-0.3 -36,-0.1 2,-0.3 -0.415 50.7 166.1 -85.9 159.3 22.6 -36.4 60.4 57 57 A N B -b 20 0B 18 -38,-1.6 -36,-1.7 66,-0.2 69,-0.3 -0.911 20.9-159.6-173.4 145.2 19.3 -34.7 60.7 58 58 A T B -d 126 0C 0 67,-1.1 69,-0.9 -2,-0.3 2,-0.2 -0.973 34.7-105.0-129.4 142.1 16.8 -32.6 58.8 59 59 A P - 0 0 8 0, 0.0 13,-2.5 0, 0.0 2,-0.3 -0.457 29.6-153.1 -70.6 134.7 14.0 -30.4 60.3 60 60 A V E -F 71 0D 0 67,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.826 12.7-171.0-108.5 148.2 10.4 -31.5 60.1 61 61 A F E -F 70 0D 43 9,-2.1 9,-2.4 -2,-0.3 2,-0.4 -0.881 17.4-133.3-134.8 165.1 7.4 -29.2 60.2 62 62 A A E +F 69 0D 8 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.984 27.4 170.3-124.6 126.7 3.6 -29.4 60.4 63 63 A I E F 68 0D 71 5,-2.4 5,-1.5 -2,-0.4 7,-0.0 -0.573 360.0 360.0-121.8-174.3 1.3 -27.5 58.1 64 64 A K 0 0 159 3,-0.2 -1,-0.1 -2,-0.2 5,-0.0 0.541 360.0 360.0-134.3 360.0 -2.5 -27.4 57.3 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 0 180 0, 0.0 2,-0.1 0, 0.0 -33,-0.0 0.000 360.0 360.0 360.0-175.2 -5.9 -31.9 59.1 67 71 A W - 0 0 46 -5,-0.0 2,-0.3 -37,-0.0 -3,-0.2 -0.463 360.0-156.4 -88.3 162.5 -2.1 -31.5 59.4 68 72 A R E -F 63 0D 126 -5,-1.5 -5,-2.4 -2,-0.1 2,-0.1 -0.998 19.3-120.4-139.9 132.6 0.6 -32.5 56.8 69 73 A K E -F 62 0D 33 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.419 26.3-171.9 -71.6 147.4 4.3 -33.2 57.4 70 74 A L E -F 61 0D 73 -9,-2.4 -9,-2.1 -2,-0.1 2,-0.4 -0.891 4.8-163.5-145.3 110.9 6.8 -31.1 55.7 71 75 A V E -F 60 0D 16 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.780 14.4-139.6 -96.3 137.9 10.5 -31.9 55.8 72 76 A D + 0 0 37 -13,-2.5 3,-0.4 -2,-0.4 4,-0.2 -0.813 27.7 167.2-102.4 100.9 13.1 -29.2 54.8 73 77 A F > + 0 0 3 -2,-0.8 4,-3.7 1,-0.2 5,-0.5 0.365 39.5 116.0 -92.6 3.9 15.9 -30.7 52.7 74 78 A R H > S+ 0 0 171 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.839 83.2 48.4 -40.0 -40.0 17.4 -27.4 51.5 75 79 A E H > S+ 0 0 50 -3,-0.4 4,-1.2 2,-0.2 3,-0.3 0.952 113.4 44.2 -68.6 -48.9 20.5 -28.4 53.5 76 80 A L H >> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.927 112.5 52.8 -61.0 -43.8 20.6 -31.9 52.1 77 81 A N H 3< S+ 0 0 36 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 104.8 57.0 -62.7 -25.3 20.0 -30.6 48.6 78 82 A K H 3< S+ 0 0 104 -4,-1.1 -1,-0.3 -5,-0.5 -2,-0.2 0.817 115.3 36.6 -74.3 -30.1 22.9 -28.2 49.2 79 83 A R H << S+ 0 0 55 -4,-1.2 -66,-3.5 -3,-0.8 2,-0.4 0.473 96.1 102.7-100.8 -4.7 25.1 -31.3 49.8 80 84 A T B < S-A 12 0A 0 -4,-1.3 -68,-0.2 -68,-0.3 -63,-0.0 -0.665 77.9-107.4 -86.8 136.6 23.5 -33.6 47.3 81 85 A Q - 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