==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-DEC-11 3V6D . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 BH . AUTHOR K.DAS,S.E.MARTINEZ,E.ARNOLD . 1933 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 90498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1209 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 269 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 0.7 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 . 119 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 181 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 499 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 0.7 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 7 2 2 2 0 2 1 3 2 8 3 3 5 1 1 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 6 4 0 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 PARALLEL BRIDGES PER LADDER . 14 6 12 2 6 8 8 0 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 . 8 2 8 6 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 0 A V 0 0 149 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.2 2.4 19.5 8.2 2 1 A P - 0 0 109 0, 0.0 2,-0.1 0, 0.0 44,-0.0 -0.670 360.0-111.6 -83.2 154.4 1.7 20.5 11.9 3 2 A I - 0 0 169 -2,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.471 21.1-127.1 -84.2 161.3 4.2 19.6 14.7 4 3 A S - 0 0 109 -2,-0.1 3,-0.1 1,-0.1 -1,-0.0 -0.847 20.8-178.5-119.0 101.8 3.7 17.1 17.6 5 4 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.880 58.9 -12.0 -60.3 -54.4 4.2 18.0 21.4 6 5 A I S S- 0 0 21 208,-0.1 158,-0.0 207,-0.0 207,-0.0 -0.974 88.9 -60.3-158.3 152.4 3.7 15.0 23.7 7 6 A E - 0 0 145 -2,-0.3 2,-0.1 1,-0.1 157,-0.0 0.074 55.0-132.8 -52.3 137.6 2.2 11.4 23.5 8 7 A T - 0 0 57 111,-0.0 114,-0.1 1,-0.0 113,-0.1 -0.371 5.1-127.2 -93.4 169.4 -1.4 11.1 22.5 9 8 A V - 0 0 12 111,-0.3 113,-0.1 -2,-0.1 151,-0.1 -0.912 24.3-122.9-122.1 110.2 -4.3 9.1 24.0 10 9 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 112,-0.0 -0.117 35.6-174.5 -48.2 132.7 -6.4 6.8 21.7 11 10 A V - 0 0 12 74,-0.0 2,-0.3 2,-0.0 113,-0.1 -0.852 6.2-179.0-130.1 167.2 -10.1 7.8 21.8 12 11 A K - 0 0 141 -2,-0.3 74,-1.8 594,-0.1 2,-0.3 -0.969 25.8-110.1-155.8 166.1 -13.3 6.3 20.3 13 12 A L B -A 85 0A 26 -2,-0.3 72,-0.2 72,-0.2 3,-0.1 -0.814 53.5 -84.7-102.3 149.0 -17.0 6.6 19.9 14 13 A K S S- 0 0 65 70,-2.1 -1,-0.1 -2,-0.3 72,-0.0 -0.348 75.3 -83.1 -51.0 124.1 -19.5 4.2 21.6 15 14 A P S S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.177 112.2 14.7 -50.8 147.5 -19.5 1.5 19.0 16 15 A G S S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.954 102.4 113.2 55.5 54.1 -21.7 1.9 15.9 17 16 A M - 0 0 90 -4,-0.1 2,-0.3 67,-0.0 -1,-0.2 -0.985 50.0-145.7-151.4 154.2 -22.3 5.6 16.5 18 17 A D - 0 0 66 -2,-0.3 -4,-0.1 1,-0.2 66,-0.0 -0.798 29.5 -74.2-128.6 165.0 -21.3 8.8 14.7 19 18 A G - 0 0 1 -2,-0.3 -1,-0.2 1,-0.1 2,-0.2 0.154 56.4 -85.8 -58.1 165.9 -20.4 12.4 15.4 20 19 A P - 0 0 0 0, 0.0 38,-2.1 0, 0.0 2,-0.4 -0.452 33.9-170.9 -76.0 139.1 -22.7 15.2 16.5 21 20 A K B +b 58 0B 116 36,-0.3 2,-0.3 -2,-0.2 38,-0.2 -0.901 28.8 128.9-131.2 110.3 -24.8 17.4 14.1 22 21 A V - 0 0 56 36,-2.0 2,-0.1 -2,-0.4 35,-0.0 -0.981 45.0-128.3-152.9 146.3 -26.6 20.4 15.5 23 22 A K - 0 0 181 -2,-0.3 35,-0.0 1,-0.2 -2,-0.0 -0.439 36.7 -97.5 -92.9 175.1 -26.9 24.1 14.6 24 23 A Q - 0 0 47 1,-0.1 -1,-0.2 35,-0.1 38,-0.1 0.133 29.7 -86.1 -91.8-171.2 -26.3 26.9 17.1 25 24 A W - 0 0 168 36,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.720 45.0-106.4 -89.7 140.4 -28.1 29.4 19.4 26 25 A P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.621 54.5-168.7 -61.5 125.9 -29.3 32.7 18.1 27 26 A L - 0 0 37 -2,-0.4 110,-0.1 3,-0.0 -3,-0.0 -0.903 23.9-112.9-126.8 146.3 -26.7 35.0 19.6 28 27 A T > - 0 0 68 -2,-0.3 4,-1.7 1,-0.1 3,-0.1 -0.330 33.5-114.9 -65.8 156.8 -26.1 38.7 20.2 29 28 A E H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.634 115.6 71.7 -68.5 -15.2 -23.3 40.3 18.2 30 29 A E H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.986 102.7 37.4 -54.9 -63.9 -21.9 40.8 21.7 31 30 A K H 4 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.871 116.1 55.3 -57.7 -40.2 -21.1 37.1 22.1 32 31 A I H X S+ 0 0 8 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.843 110.4 43.4 -66.5 -37.1 -20.1 36.9 18.4 33 32 A K H X S+ 0 0 165 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.881 111.3 54.8 -72.6 -40.8 -17.5 39.7 18.7 34 33 A A H < S+ 0 0 23 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.614 117.3 41.8 -62.3 -13.1 -16.4 38.1 22.0 35 34 A L H > S+ 0 0 1 -4,-0.4 4,-2.3 -5,-0.2 3,-0.5 0.892 106.3 49.7 -99.1 -64.8 -15.9 34.9 19.9 36 35 A V H X S+ 0 0 45 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.796 104.5 70.3 -52.5 -28.0 -14.3 35.6 16.5 37 36 A E H X S+ 0 0 116 -4,-1.1 4,-0.5 -5,-0.3 3,-0.3 0.965 110.5 24.6 -47.6 -70.4 -11.7 37.5 18.5 38 37 A I H > S+ 0 0 70 -3,-0.5 4,-1.3 -4,-0.4 -1,-0.2 0.672 114.6 73.0 -77.0 -17.7 -10.1 34.5 20.2 39 38 A C H X S+ 0 0 4 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.949 98.7 43.6 -55.1 -53.8 -11.3 32.3 17.3 40 39 A T H < S+ 0 0 81 -4,-2.4 4,-0.4 -3,-0.3 -1,-0.2 0.685 106.6 65.8 -70.8 -16.6 -8.7 33.8 14.8 41 40 A E H >X S+ 0 0 77 -4,-0.5 3,-1.3 -5,-0.2 4,-1.0 0.949 93.6 54.0 -69.3 -52.7 -5.9 33.6 17.5 42 41 A M H 3X>S+ 0 0 13 -4,-1.3 4,-2.1 1,-0.3 5,-1.7 0.774 90.9 74.9 -57.7 -32.5 -5.6 29.8 17.9 43 42 A E H 3<5S+ 0 0 84 -4,-0.7 -1,-0.3 1,-0.2 5,-0.2 0.843 100.9 43.0 -50.9 -40.2 -5.1 29.1 14.2 44 43 A K H <45S+ 0 0 195 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.903 111.7 53.0 -73.9 -42.7 -1.5 30.4 14.4 45 44 A E H <5S- 0 0 115 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.767 115.7-112.8 -65.5 -25.2 -0.8 28.7 17.7 46 45 A G T <5S+ 0 0 41 -4,-2.1 -3,-0.2 2,-0.1 -2,-0.1 0.495 81.8 123.2 104.9 9.2 -1.9 25.3 16.2 47 46 A K S - 0 0 30 -2,-0.3 3,-0.8 1,-0.0 -1,-0.1 0.135 57.4 -69.7 -81.3-156.6 -14.5 21.8 4.0 53 52 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.587 118.6 89.3 -69.2 -14.0 -17.9 20.1 3.4 54 53 A E T 3 S+ 0 0 147 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.584 74.0 73.6 -58.1 -12.6 -15.9 16.9 3.8 55 54 A N < - 0 0 19 -3,-0.8 2,-2.6 2,-0.1 -1,-0.2 -0.748 66.6-168.3-117.7 83.7 -16.6 17.1 7.5 56 55 A P + 0 0 77 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.234 48.9 106.7 -74.2 52.8 -20.3 16.2 8.2 57 56 A Y - 0 0 22 -2,-2.6 2,-0.4 70,-0.1 -36,-0.3 -0.995 42.1-173.5-139.6 137.6 -20.4 17.3 11.9 58 57 A N B +b 21 0B 25 -38,-2.1 -36,-2.0 -2,-0.4 73,-0.2 -0.982 9.8 161.4-137.7 126.9 -22.0 20.3 13.7 59 58 A T B -d 131 0C 2 71,-0.5 73,-1.0 -2,-0.4 -35,-0.1 -0.994 33.3-112.0-141.8 147.1 -21.9 21.5 17.3 60 59 A P - 0 0 15 0, 0.0 17,-0.8 0, 0.0 2,-0.3 -0.316 23.5-170.5 -76.3 154.3 -22.7 24.9 19.0 61 60 A V E +F 76 0D 3 15,-0.2 2,-0.3 71,-0.2 15,-0.2 -0.922 12.6 159.3-143.1 126.0 -20.3 27.3 20.8 62 61 A F E -F 75 0D 69 13,-1.2 13,-0.8 -2,-0.3 2,-0.2 -0.991 30.2-116.4-142.5 157.7 -21.1 30.4 22.9 63 62 A A E -F 74 0D 4 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.578 12.5-161.2-104.2 148.7 -19.2 32.4 25.5 64 63 A I E -F 73 0D 82 9,-2.6 9,-1.7 -2,-0.2 2,-0.2 -0.992 31.1-113.6-124.9 131.2 -19.5 33.2 29.2 65 64 A K E -F 72 0D 99 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.429 39.9-103.0 -68.6 128.6 -17.6 36.1 30.8 66 65 A K > - 0 0 99 5,-0.9 3,-1.3 -2,-0.2 2,-0.4 -0.154 33.0-112.9 -54.5 135.4 -14.9 35.2 33.3 67 66 A K T 3 S- 0 0 163 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.568 98.2 -6.0 -71.2 124.0 -15.7 35.5 37.1 68 67 A D T 3 S+ 0 0 144 -2,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.837 119.7 107.3 58.6 35.8 -13.6 38.2 38.7 69 68 A S < - 0 0 57 -3,-1.3 -1,-0.2 1,-0.1 -4,-0.0 -0.921 68.1-132.7-144.7 166.5 -11.7 38.6 35.4 70 69 A T S S+ 0 0 122 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.964 80.6 57.5 -83.5 -64.3 -11.1 40.8 32.3 71 70 A K S S- 0 0 163 1,-0.1 -5,-0.9 -6,-0.1 2,-0.2 -0.252 86.7-101.4 -73.4 159.5 -11.3 38.7 29.1 72 71 A W E -F 65 0D 96 -7,-0.2 2,-0.5 -38,-0.1 -7,-0.2 -0.491 28.1-126.1 -81.9 150.6 -14.2 36.4 28.0 73 72 A R E -F 64 0D 91 -9,-1.7 -9,-2.6 -2,-0.2 2,-0.6 -0.866 14.8-146.6-103.5 123.6 -14.3 32.6 28.5 74 73 A K E +F 63 0D 21 -2,-0.5 2,-0.5 -11,-0.2 78,-0.2 -0.784 22.0 174.2 -93.5 116.9 -15.0 30.4 25.5 75 74 A L E -F 62 0D 47 -13,-0.8 -13,-1.2 -2,-0.6 2,-0.4 -0.972 18.1-153.3-125.8 119.9 -17.0 27.2 26.2 76 75 A V E -F 61 0D 5 76,-1.3 2,-0.9 -2,-0.5 -15,-0.2 -0.759 16.4-135.6 -88.3 133.6 -18.3 24.7 23.6 77 76 A D + 0 0 59 -17,-0.8 3,-0.2 -2,-0.4 77,-0.1 -0.806 30.8 168.6 -92.8 107.9 -21.4 22.7 24.6 78 77 A F >> + 0 0 2 -2,-0.9 4,-2.9 75,-0.5 3,-2.9 0.242 28.4 129.6 -98.4 8.3 -20.6 19.1 23.5 79 78 A R H 3> S+ 0 0 157 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.764 76.6 45.6 -43.4 -42.9 -23.5 17.4 25.3 80 79 A E H 3> S+ 0 0 66 -3,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.728 116.4 46.6 -72.9 -23.0 -24.6 15.5 22.2 81 80 A L H X> S+ 0 0 1 -3,-2.9 4,-0.6 2,-0.2 3,-0.5 0.870 110.4 53.4 -79.5 -43.3 -21.0 14.5 21.5 82 81 A N H >< S+ 0 0 35 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.953 103.0 56.5 -53.1 -53.6 -20.5 13.5 25.1 83 82 A K H 3< S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 114.8 39.6 -49.2 -34.4 -23.5 11.2 25.0 84 83 A R H << S+ 0 0 58 -3,-0.5 -70,-2.1 -4,-0.5 2,-0.3 0.405 96.5 101.5 -98.6 2.0 -21.9 9.4 22.1 85 84 A T B << S-A 13 0A 0 -3,-2.2 -72,-0.2 -4,-0.6 3,-0.1 -0.654 83.0 -94.7 -92.8 145.2 -18.4 9.5 23.4 86 85 A Q - 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