==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAR-10 3MEC . COMPND 2 MOLECULE: P66 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR E.B.LANSDON . 951 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 5 0.5 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 . 54 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 1 2 1 1 0 1 0 1 1 5 0 3 1 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 5 3 6 1 2 6 3 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 . 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 82 0, 0.0 2,-0.4 0, 0.0 214,-0.1 0.000 360.0 360.0 360.0 168.5 32.6 2.9 30.1 2 2 A I - 0 0 59 212,-0.1 116,-0.2 146,-0.0 115,-0.1 -0.977 360.0-110.9-126.9 118.3 34.2 6.3 30.1 3 3 A S - 0 0 5 114,-3.0 210,-0.2 -2,-0.4 209,-0.1 -0.096 9.1-141.6 -58.0 137.6 34.0 8.0 26.7 4 4 A P + 0 0 90 0, 0.0 -1,-0.2 0, 0.0 209,-0.1 0.356 64.9 122.6 -71.8 0.5 37.2 8.5 24.7 5 5 A I S S- 0 0 19 207,-0.3 158,-0.1 1,-0.1 162,-0.0 -0.333 74.5 -92.5 -65.0 149.0 36.0 11.9 23.6 6 6 A E - 0 0 171 1,-0.1 2,-0.1 157,-0.1 -1,-0.1 -0.224 44.2-112.5 -56.4 150.3 38.1 15.0 24.4 7 7 A T - 0 0 48 113,-0.1 113,-0.1 -3,-0.1 -1,-0.1 -0.453 23.8-114.0 -80.7 157.5 37.4 16.8 27.7 8 8 A V - 0 0 10 111,-0.3 113,-0.4 -2,-0.1 2,-0.1 -0.859 33.8-115.9 -91.5 126.1 35.9 20.2 27.9 9 9 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 589,-0.0 -0.378 39.7-170.1 -58.5 130.4 38.4 22.8 29.4 10 10 A V + 0 0 8 -2,-0.1 2,-0.3 74,-0.0 590,-0.0 -0.984 11.6 176.7-133.5 138.4 37.0 24.1 32.7 11 11 A K - 0 0 115 -2,-0.4 74,-1.8 589,-0.1 2,-0.2 -0.893 29.0-111.8-131.7 165.2 38.1 26.9 35.0 12 12 A L B -A 84 0A 14 -2,-0.3 72,-0.3 72,-0.2 71,-0.1 -0.602 56.1 -74.4 -86.9 157.4 36.9 28.5 38.2 13 13 A K > - 0 0 63 70,-2.1 3,-0.9 -2,-0.2 -1,-0.2 -0.202 56.5-106.0 -49.8 147.2 35.5 32.0 38.2 14 14 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.737 113.5 40.0 -62.9 -32.7 38.4 34.4 37.9 15 15 A G T 3 S+ 0 0 77 2,-0.0 -2,-0.1 68,-0.0 68,-0.0 0.820 105.4 85.3 -77.3 -28.3 38.7 35.8 41.4 16 16 A M < - 0 0 98 -3,-0.9 2,-0.3 67,-0.1 -4,-0.1 -0.052 57.3-148.0 -96.3 170.1 38.0 32.5 43.1 17 17 A D - 0 0 68 1,-0.1 3,-0.1 0, 0.0 -4,-0.1 -0.824 40.0 -77.7-125.9 166.4 39.7 29.3 44.4 18 18 A G - 0 0 2 -2,-0.3 -1,-0.1 1,-0.1 62,-0.1 -0.045 61.1 -78.0 -62.8 166.6 38.6 25.7 44.7 19 19 A P - 0 0 0 0, 0.0 38,-1.0 0, 0.0 -1,-0.1 -0.253 38.7-179.5 -64.9 150.8 36.3 24.5 47.6 20 20 A K B +b 57 0B 132 36,-0.2 2,-0.2 -3,-0.1 38,-0.2 -0.259 22.2 154.4-144.3 52.7 37.7 23.8 51.0 21 21 A V - 0 0 49 36,-2.2 2,-0.3 1,-0.1 0, 0.0 -0.567 42.4-120.1 -83.8 145.3 34.8 22.6 53.1 22 22 A K - 0 0 144 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.647 28.8-113.7 -84.7 141.2 35.3 20.4 56.1 23 23 A Q - 0 0 13 -2,-0.3 -1,-0.1 35,-0.1 3,-0.0 -0.586 25.9-128.4 -75.3 128.1 33.6 17.0 56.1 24 24 A W - 0 0 174 -2,-0.4 36,-0.1 36,-0.1 2,-0.1 -0.508 31.8-103.5 -69.7 140.5 30.9 16.5 58.6 25 25 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.464 45.8-149.9 -63.8 139.5 31.3 13.4 60.8 26 26 A L - 0 0 16 108,-0.3 110,-0.5 -2,-0.1 111,-0.1 -0.745 18.1 -91.1-113.8 156.9 28.9 10.7 59.6 27 27 A T > - 0 0 71 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.200 41.6-114.1 -50.9 154.2 26.9 7.8 61.0 28 28 A E H > S+ 0 0 126 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.830 115.7 50.2 -66.9 -33.1 28.8 4.4 60.9 29 29 A E H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.717 109.4 50.8 -81.2 -22.0 26.3 2.9 58.5 30 30 A K H > S+ 0 0 46 2,-0.2 4,-2.8 -3,-0.2 -2,-0.2 0.882 108.5 52.1 -77.2 -41.2 26.6 5.9 56.1 31 31 A I H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.900 110.9 49.8 -55.1 -40.2 30.4 5.6 56.2 32 32 A K H X S+ 0 0 130 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.936 110.4 47.2 -70.1 -47.9 29.9 1.9 55.3 33 33 A A H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.915 111.7 52.8 -56.2 -44.4 27.6 2.6 52.4 34 34 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.917 107.9 49.8 -60.6 -44.2 29.9 5.3 51.1 35 35 A V H X S+ 0 0 52 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.915 112.2 48.8 -59.3 -44.5 33.0 2.9 51.2 36 36 A E H X S+ 0 0 104 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.973 114.7 43.5 -59.7 -56.3 31.0 0.3 49.3 37 37 A I H X S+ 0 0 42 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.909 115.9 48.0 -54.4 -48.0 29.8 2.7 46.6 38 38 A C H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.888 107.3 55.3 -67.4 -39.7 33.2 4.4 46.3 39 39 A T H X S+ 0 0 49 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.905 111.7 45.0 -58.0 -41.1 35.1 1.1 46.0 40 40 A E H X S+ 0 0 99 -4,-2.0 4,-0.9 -5,-0.2 3,-0.2 0.934 113.9 48.3 -69.3 -44.7 32.8 0.2 43.1 41 41 A M H ><>S+ 0 0 15 -4,-2.6 5,-1.3 1,-0.2 6,-0.7 0.888 109.6 54.3 -58.5 -39.6 33.1 3.6 41.4 42 42 A E H ><5S+ 0 0 63 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.841 103.5 54.8 -69.9 -29.7 36.9 3.5 41.8 43 43 A K H 3<5S+ 0 0 146 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.722 108.5 49.3 -74.4 -20.8 37.1 0.1 40.1 44 44 A E T <<5S- 0 0 101 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.427 117.2-111.5 -96.0 -0.3 35.3 1.5 37.0 45 45 A G T < 5S+ 0 0 26 -3,-0.7 -3,-0.2 -4,-0.4 102,-0.1 0.329 83.9 123.1 91.5 -8.5 37.5 4.6 36.8 46 46 A K S - 0 0 47 -2,-0.3 3,-0.7 91,-0.1 2,-0.1 -0.995 43.1 -69.6-129.5 144.6 46.4 12.0 49.2 52 52 A P T 3 S+ 0 0 93 0, 0.0 2,-0.2 0, 0.0 91,-0.0 -0.480 101.2 88.1 -56.0 139.6 47.3 15.5 50.3 53 53 A E T 3 S+ 0 0 174 -2,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.260 80.8 91.3 -18.2 -84.0 49.0 17.4 48.7 54 54 A N < - 0 0 18 -3,-0.7 -4,-0.0 -2,-0.2 73,-0.0 0.388 58.7-171.1 -27.4 109.8 45.5 18.0 47.3 55 55 A P + 0 0 79 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.395 50.9 94.1 -82.9 -3.9 44.2 20.8 49.6 56 56 A Y + 0 0 26 70,-0.2 2,-0.3 -36,-0.1 -36,-0.2 -0.530 44.7 169.1 -95.0 160.0 40.6 20.8 48.4 57 57 A N B -b 20 0B 17 -38,-1.0 -36,-2.2 -2,-0.2 73,-0.3 -0.915 15.7-168.5-167.4 147.6 37.5 19.1 49.7 58 58 A T B -d 130 0C 0 71,-1.2 73,-0.7 -2,-0.3 2,-0.1 -0.988 36.7-101.0-136.5 141.7 33.8 19.0 49.4 59 59 A P - 0 0 27 0, 0.0 17,-2.3 0, 0.0 2,-0.4 -0.398 29.9-160.0 -72.4 135.4 31.3 17.2 51.7 60 60 A V E +F 75 0D 1 71,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.879 12.2 175.5-108.2 146.9 29.8 13.8 50.9 61 61 A F E -F 74 0D 83 13,-3.6 13,-2.0 -2,-0.4 2,-0.3 -0.818 16.9-140.3-136.2 174.0 26.6 12.4 52.5 62 62 A A E -F 73 0D 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.989 10.3-166.4-147.2 135.7 24.5 9.3 51.9 63 63 A I E -F 72 0D 89 9,-1.7 9,-3.1 -2,-0.3 2,-0.7 -0.889 28.3-115.0-121.5 150.0 20.8 8.7 51.9 64 64 A K E -F 71 0D 79 -2,-0.3 2,-0.5 7,-0.2 7,-0.3 -0.769 39.3-116.8 -87.9 116.7 18.8 5.4 52.0 65 65 A K E > -F 70 0D 52 5,-3.2 5,-0.6 -2,-0.7 -1,-0.1 -0.324 61.2 -62.4 -61.4 104.8 17.0 5.1 48.6 66 66 A K T 5S- 0 0 145 -2,-0.5 4,-0.0 1,-0.2 -2,-0.0 -0.181 93.5 -50.1 55.1-148.2 13.3 5.2 49.5 67 67 A D T 5S+ 0 0 137 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.791 117.4 99.9 -81.3 -33.9 12.2 2.3 51.7 68 68 A S T 5S- 0 0 68 1,-0.2 2,-3.2 -4,-0.1 -3,-0.1 -0.373 90.4-115.1 -60.3 114.4 14.0 -0.1 49.2 69 69 A T T 5S+ 0 0 117 -2,-0.3 2,-0.4 -5,-0.1 -1,-0.2 -0.188 73.5 116.8 -66.7 65.9 17.3 -0.8 51.0 70 70 A K E < -F 65 0D 129 -2,-3.2 -5,-3.2 -5,-0.6 2,-0.4 -0.961 54.5-138.5-116.7 147.9 19.8 0.7 48.6 71 71 A W E -F 64 0D 70 -2,-0.4 2,-0.3 -7,-0.3 -7,-0.2 -0.848 12.2-153.5-100.3 142.1 22.0 3.6 49.6 72 72 A R E -F 63 0D 134 -9,-3.1 -9,-1.7 -2,-0.4 2,-0.7 -0.879 16.3-124.1-109.8 148.8 22.7 6.5 47.3 73 73 A K E -F 62 0D 24 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.826 26.4-168.7 -93.7 114.7 25.8 8.7 47.3 74 74 A L E -F 61 0D 84 -13,-2.0 -13,-3.6 -2,-0.7 2,-0.4 -0.893 4.8-171.6-100.9 126.7 25.1 12.5 47.7 75 75 A V E -F 60 0D 23 -2,-0.5 2,-0.8 76,-0.2 -15,-0.2 -0.917 17.9-140.8-106.9 145.1 27.8 15.1 47.2 76 76 A D + 0 0 61 -17,-2.3 3,-0.4 -2,-0.4 4,-0.2 -0.854 25.0 171.4-107.1 100.2 27.1 18.7 48.0 77 77 A F >> + 0 0 6 -2,-0.8 4,-4.0 1,-0.2 3,-0.5 0.419 38.0 119.6 -93.0 0.8 28.7 20.9 45.4 78 78 A R H 3> S+ 0 0 178 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.809 82.8 40.8 -24.2 -57.5 27.1 24.2 46.5 79 79 A E H 3> S+ 0 0 58 -3,-0.4 4,-0.7 2,-0.2 -1,-0.3 0.866 116.4 46.1 -74.0 -37.7 30.6 25.6 47.1 80 80 A L H <4 S+ 0 0 0 -3,-0.5 4,-0.4 -4,-0.2 3,-0.4 0.916 115.1 51.4 -66.6 -38.8 32.3 24.2 44.1 81 81 A N H >< S+ 0 0 40 -4,-4.0 3,-1.3 1,-0.3 -2,-0.2 0.908 105.6 51.2 -64.5 -46.6 29.3 25.3 42.1 82 82 A K H 3< S+ 0 0 131 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.737 115.8 47.0 -59.5 -21.1 29.3 28.9 43.3 83 83 A R T 3< S+ 0 0 76 -4,-0.7 -70,-2.1 -3,-0.4 2,-0.3 0.477 92.7 97.5-102.4 -4.9 33.0 28.9 42.3 84 84 A T B < S-A 12 0A 0 -3,-1.3 -72,-0.2 -4,-0.4 -3,-0.0 -0.661 78.7-103.1 -93.2 142.4 32.7 27.3 38.9 85 85 A Q - 0 0 32 -74,-1.8 2,-0.2 -2,-0.3 -1,-0.1 -0.060 41.6 -99.9 -50.0 155.7 32.6 29.3 35.6 86 86 A D - 0 0 57 514,-0.1 2,-0.3 -74,-0.1 -1,-0.1 -0.508 38.0-151.1 -74.2 150.2 29.3 29.9 33.8 87 87 A F - 0 0 23 -2,-0.2 513,-0.2 515,-0.1 3,-0.1 -0.827 27.2 -88.1-117.5 161.3 28.6 27.6 30.8 88 88 A W - 0 0 37 511,-2.8 2,-0.2 -2,-0.3 515,-0.1 -0.365 60.3 -87.9 -61.3 148.1 26.6 28.1 27.7 89 89 A E - 0 0 113 513,-0.2 3,-0.3 1,-0.1 -1,-0.1 -0.426 36.7-125.5 -63.7 129.5 22.9 27.2 28.2 90 90 A V S S- 0 0 69 1,-0.2 2,-0.1 -2,-0.2 -1,-0.1 0.894 77.5 -42.4 -41.3 -74.5 22.4 23.6 27.4 91 91 A Q - 0 0 48 595,-0.1 2,-0.6 -3,-0.0 -1,-0.2 -0.573 61.6-154.1-159.0 95.3 19.6 24.1 24.8 92 92 A L + 0 0 68 -3,-0.3 2,-0.1 -2,-0.1 591,-0.0 -0.607 67.1 40.1 -78.2 113.8 17.0 26.7 25.7 93 93 A G - 0 0 32 -2,-0.6 0, 0.0 2,-0.0 0, 0.0 0.005 67.9-139.8 117.9 129.1 13.8 25.8 23.9 94 94 A I - 0 0 73 -2,-0.1 590,-0.1 1,-0.0 589,-0.1 -0.918 32.0 -94.3-121.7 151.7 12.1 22.4 23.2 95 95 A P - 0 0 3 0, 0.0 588,-0.1 0, 0.0 286,-0.1 -0.241 30.4-134.8 -65.8 147.0 10.4 21.3 20.0 96 96 A H >> - 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0 0 2 74,-2.9 3,-0.8 -2,-0.4 105,-0.2 -0.653 23.6-126.8 -85.2 124.7 22.0 6.4 27.9 112 112 A G T 3 S- 0 0 15 103,-1.9 103,-0.3 -2,-0.4 5,-0.1 -0.464 83.9 -12.1 -71.8 138.2 23.2 4.4 30.9 113 113 A D T 3> S- 0 0 124 -2,-0.2 4,-0.7 1,-0.1 -1,-0.3 0.873 83.0-175.6 39.1 56.4 25.0 6.3 33.7 114 114 A A T X4 S+ 0 0 8 -3,-0.8 3,-1.1 1,-0.2 35,-0.1 0.889 71.6 40.0 -54.5 -56.4 25.3 9.3 31.3 115 115 A Y G >4 S+ 0 0 60 1,-0.3 3,-1.8 2,-0.2 34,-1.0 0.891 113.4 54.3 -61.3 -43.9 27.4 11.7 33.4 116 116 A F G 34 S+ 0 0 29 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.572 100.8 64.1 -71.2 -5.8 29.7 9.0 34.8 117 117 A S G << S+ 0 0 2 -3,-1.1 -114,-3.0 -4,-0.7 -1,-0.3 0.364 91.0 75.3 -95.5 3.5 30.4 8.0 31.2 118 118 A V S < S- 0 0 3 -3,-1.8 31,-1.9 -116,-0.2 42,-0.1 -0.966 81.8-123.3-122.1 129.8 32.0 11.4 30.3 119 119 A P B -I 148 0F 13 0, 0.0 -111,-0.3 0, 0.0 2,-0.3 -0.306 21.8-130.8 -71.2 152.7 35.5 12.3 31.3 120 120 A L - 0 0 1 27,-2.8 5,-0.1 -113,-0.1 -113,-0.1 -0.817 39.9 -81.0-105.4 143.9 36.1 15.5 33.3 121 121 A D >> - 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