==== 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 3MEG . COMPND 2 MOLECULE: P66 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR E.B.LANSDON . 956 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 14.0 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 . 7 0.7 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 . 2 0.2 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 . 56 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 25.5 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 1 1 1 3 2 0 1 0 1 1 2 3 2 1 1 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 5 3 6 1 3 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 2 3 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 79 0, 0.0 2,-0.5 0, 0.0 214,-0.1 0.000 360.0 360.0 360.0 167.5 32.8 3.0 29.8 2 2 A I - 0 0 58 212,-0.0 116,-0.2 146,-0.0 115,-0.1 -0.945 360.0-115.5-119.2 106.0 34.5 6.4 29.7 3 3 A S - 0 0 5 114,-3.2 210,-0.2 -2,-0.5 209,-0.1 -0.041 12.3-133.6 -44.9 134.7 34.1 7.9 26.3 4 4 A P + 0 0 88 0, 0.0 -1,-0.2 0, 0.0 209,-0.1 0.391 65.1 129.0 -66.6 0.1 37.4 8.3 24.4 5 5 A I - 0 0 9 207,-0.4 2,-0.0 1,-0.1 158,-0.0 -0.116 69.3 -98.3 -56.5 157.4 36.2 11.8 23.4 6 6 A E - 0 0 122 1,-0.1 2,-0.2 157,-0.1 -1,-0.1 -0.356 46.3-111.6 -68.4 157.8 38.5 14.8 24.0 7 7 A T - 0 0 58 113,-0.1 113,-0.1 -3,-0.1 -1,-0.1 -0.583 15.5-118.5 -97.1 161.7 37.8 16.8 27.1 8 8 A V - 0 0 7 111,-0.3 113,-0.4 -2,-0.2 2,-0.1 -0.857 30.3-127.1 -94.7 122.2 36.4 20.3 27.6 9 9 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 592,-0.0 -0.417 33.1-176.1 -65.1 139.4 38.8 22.6 29.4 10 10 A V - 0 0 6 -2,-0.1 2,-0.3 74,-0.0 591,-0.0 -0.984 9.4-170.2-140.5 149.4 37.2 24.3 32.4 11 11 A K - 0 0 100 -2,-0.3 74,-1.7 590,-0.1 2,-0.1 -0.952 28.0-107.7-136.2 154.8 38.3 26.9 34.9 12 12 A L B -A 84 0A 5 -2,-0.3 72,-0.3 72,-0.2 71,-0.1 -0.491 62.2 -71.9 -74.2 155.1 37.1 28.3 38.2 13 13 A K - 0 0 65 70,-1.5 -1,-0.2 -2,-0.1 72,-0.1 -0.073 60.0 -96.5 -47.0 152.9 35.8 31.9 38.0 14 14 A P S S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.728 115.7 42.8 -56.3 -34.5 38.6 34.3 37.5 15 15 A G S S+ 0 0 70 2,-0.0 -3,-0.0 0, 0.0 68,-0.0 0.987 106.1 54.2 -70.6 -59.5 39.1 35.3 41.2 16 16 A M - 0 0 83 1,-0.1 2,-0.3 67,-0.0 -4,-0.1 0.196 58.1-140.6 -85.1-179.4 38.9 32.1 43.2 17 17 A D - 0 0 65 1,-0.2 -1,-0.1 67,-0.0 -4,-0.1 -0.847 50.2 -53.6-130.5 177.5 40.2 28.6 43.6 18 18 A G - 0 0 1 -2,-0.3 -1,-0.2 1,-0.1 62,-0.1 0.117 65.7 -89.8 -54.6 159.2 38.6 25.3 44.5 19 19 A P - 0 0 1 0, 0.0 38,-1.2 0, 0.0 2,-0.1 -0.215 27.4-161.5 -67.2 158.6 36.4 24.8 47.6 20 20 A K B +b 57 0B 137 36,-0.2 2,-0.4 2,-0.0 38,-0.2 -0.600 25.9 163.9-136.4 75.1 37.8 23.8 50.9 21 21 A V - 0 0 47 36,-1.6 2,-0.2 -2,-0.1 58,-0.0 -0.792 36.0-123.7-102.2 134.2 34.9 22.5 52.9 22 22 A K - 0 0 170 -2,-0.4 2,-0.5 1,-0.1 -2,-0.0 -0.496 29.6-116.1 -71.8 140.5 35.2 20.3 56.0 23 23 A Q - 0 0 14 -2,-0.2 -1,-0.1 36,-0.1 3,-0.1 -0.690 22.0-130.4 -81.6 121.1 33.4 16.9 55.9 24 24 A W - 0 0 177 -2,-0.5 36,-0.2 1,-0.1 2,-0.2 -0.420 33.6-105.2 -60.6 140.0 30.5 16.5 58.4 25 25 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.497 39.7-151.0 -70.4 143.1 30.9 13.2 60.3 26 26 A L - 0 0 16 108,-0.2 110,-0.4 -2,-0.2 111,-0.2 -0.843 22.5 -88.1-119.9 150.4 28.4 10.5 59.2 27 27 A T > - 0 0 70 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.086 47.8-102.2 -55.1 158.7 26.8 7.5 60.9 28 28 A E H > S+ 0 0 97 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.707 119.6 42.4 -62.3 -22.0 28.7 4.3 60.9 29 29 A E H > S+ 0 0 91 2,-0.2 4,-3.0 3,-0.1 -1,-0.2 0.803 106.3 56.8 -98.8 -36.1 26.6 2.8 58.1 30 30 A K H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.881 109.7 52.1 -56.5 -37.9 26.3 5.8 55.8 31 31 A I H X S+ 0 0 13 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.864 107.5 50.8 -63.7 -37.3 30.1 5.5 56.0 32 32 A K H X S+ 0 0 129 -4,-0.5 4,-1.8 -5,-0.2 -2,-0.2 0.950 109.8 49.4 -67.7 -47.0 29.8 1.8 55.1 33 33 A A H X S+ 0 0 3 -4,-3.0 4,-2.6 1,-0.2 3,-0.3 0.945 107.3 53.3 -55.9 -54.9 27.6 2.5 52.0 34 34 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.858 108.4 51.4 -49.4 -39.8 29.9 5.3 50.7 35 35 A V H X S+ 0 0 51 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.900 109.9 48.8 -68.4 -38.1 32.8 2.9 50.8 36 36 A E H X S+ 0 0 104 -4,-1.8 4,-2.1 -3,-0.3 3,-0.2 0.980 114.3 45.9 -63.0 -55.5 30.9 0.2 48.9 37 37 A I H X S+ 0 0 37 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.914 112.3 48.7 -48.1 -55.1 29.8 2.7 46.2 38 38 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.813 108.3 54.0 -67.6 -30.0 33.2 4.3 45.7 39 39 A T H X S+ 0 0 49 -4,-1.8 4,-1.5 -3,-0.2 -1,-0.2 0.930 110.9 47.9 -62.5 -47.2 35.0 1.0 45.4 40 40 A E H >X S+ 0 0 128 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.991 115.9 42.6 -51.2 -66.0 32.5 0.1 42.7 41 41 A M H >X>S+ 0 0 17 -4,-2.7 3,-1.5 1,-0.3 5,-1.0 0.834 108.5 60.0 -50.8 -41.4 33.0 3.4 40.9 42 42 A E H ><5S+ 0 0 52 -4,-2.5 3,-0.7 1,-0.3 -1,-0.3 0.864 100.4 54.2 -59.7 -37.8 36.8 3.3 41.3 43 43 A K H <<5S+ 0 0 150 -4,-1.5 -1,-0.3 -3,-1.0 -2,-0.2 0.596 108.1 51.6 -73.3 -11.0 37.1 0.1 39.4 44 44 A E H <<5S- 0 0 99 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.592 116.0-111.2-101.2 -16.0 35.2 1.7 36.5 45 45 A G T <<5S+ 0 0 20 -4,-0.9 -3,-0.2 -3,-0.7 102,-0.1 0.124 85.6 118.7 106.7 -18.3 37.4 4.8 36.2 46 46 A K S - 0 0 38 -2,-0.4 2,-2.0 1,-0.1 3,-1.7 -0.576 39.0-115.0 -70.3 132.0 47.1 11.5 48.2 52 52 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.019 97.4 95.8 -66.9 35.5 46.1 14.2 50.7 53 53 A E T 3 + 0 0 159 -2,-2.0 -2,-0.0 3,-0.0 3,-0.0 0.650 63.5 98.2 -80.3 -24.6 48.5 16.8 49.3 54 54 A N < - 0 0 27 -3,-1.7 -4,-0.0 1,-0.2 0, 0.0 -0.538 65.6-161.1 -66.2 107.1 45.3 17.8 47.4 55 55 A P + 0 0 78 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.672 56.0 99.0 -61.6 -24.7 44.0 20.8 49.5 56 56 A Y + 0 0 31 70,-0.2 2,-0.3 -36,-0.1 -36,-0.2 -0.374 44.2 171.2 -86.2 146.3 40.5 20.7 48.1 57 57 A N B -b 20 0B 16 -38,-1.2 -36,-1.6 -2,-0.1 73,-0.2 -0.997 14.7-172.8-148.3 153.4 37.4 19.1 49.6 58 58 A T - 0 0 2 71,-0.4 73,-0.7 -2,-0.3 19,-0.1 -0.991 34.8-108.2-142.1 135.1 33.7 18.9 49.0 59 59 A P - 0 0 15 0, 0.0 17,-1.7 0, 0.0 2,-0.3 -0.117 30.7-161.6 -61.0 160.9 31.2 17.3 51.4 60 60 A V E +E 75 0D 0 15,-0.2 15,-0.2 71,-0.2 2,-0.2 -0.946 10.6 175.3-151.6 129.7 29.5 13.9 50.6 61 61 A F E -E 74 0D 90 13,-2.3 13,-1.9 -2,-0.3 2,-0.3 -0.627 19.9-140.5-122.5 178.1 26.3 12.3 52.1 62 62 A A E -E 73 0D 3 11,-0.2 2,-0.3 -2,-0.2 11,-0.2 -0.794 11.0-159.5-149.5 104.8 24.3 9.2 51.4 63 63 A I E -E 72 0D 105 9,-0.7 2,-1.5 -2,-0.3 9,-1.5 -0.639 33.0-110.9 -88.1 139.5 20.5 9.1 51.5 64 64 A K - 0 0 69 -2,-0.3 7,-0.2 7,-0.2 -1,-0.1 -0.514 40.6-140.5 -73.1 92.2 18.7 5.8 52.0 65 65 A K - 0 0 92 -2,-1.5 2,-0.2 5,-0.3 -1,-0.1 0.679 52.4 -34.0 -27.8 -99.5 17.3 5.7 48.5 66 66 A K S S- 0 0 123 2,-0.9 4,-0.3 4,-0.2 0, 0.0 -0.470 74.8 -78.5-112.6-172.5 13.7 4.3 48.7 67 67 A D S S+ 0 0 165 -2,-0.2 2,-1.1 2,-0.1 -2,-0.1 0.821 115.2 90.6 -56.7 -30.0 11.9 1.7 50.8 68 68 A S S S- 0 0 73 1,-0.1 2,-2.4 -4,-0.0 -2,-0.9 -0.604 97.4-125.2 -64.7 101.4 13.8 -0.5 48.4 69 69 A T + 0 0 102 -2,-1.1 2,-0.3 -4,-0.1 -1,-0.1 -0.313 66.6 115.6 -69.8 77.1 16.8 -0.8 50.7 70 70 A K - 0 0 132 -2,-2.4 2,-0.3 -4,-0.3 -5,-0.3 -0.888 57.0-124.0-123.2 168.6 19.7 0.3 48.6 71 71 A W - 0 0 67 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.797 14.7-155.5-111.3 151.2 21.9 3.4 49.2 72 72 A R E -E 63 0D 128 -9,-1.5 -9,-0.7 -2,-0.3 2,-0.7 -0.989 15.5-129.8-129.7 139.8 22.7 6.3 46.9 73 73 A K E -E 62 0D 18 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.756 24.5-172.9 -91.8 114.7 25.7 8.6 47.1 74 74 A L E -E 61 0D 81 -13,-1.9 -13,-2.3 -2,-0.7 2,-0.3 -0.855 4.2-161.8-103.3 140.9 25.0 12.4 47.0 75 75 A V E -E 60 0D 32 -2,-0.4 2,-0.8 -15,-0.2 -15,-0.2 -0.902 16.0-132.9-119.0 151.8 27.7 15.0 46.7 76 76 A D + 0 0 51 -17,-1.7 3,-0.4 -2,-0.3 4,-0.2 -0.826 29.9 165.1-108.8 99.6 27.4 18.7 47.6 77 77 A F > + 0 0 6 -2,-0.8 4,-3.3 1,-0.2 5,-0.4 0.310 39.9 117.7 -95.9 9.0 28.8 20.8 44.8 78 78 A R H > S+ 0 0 181 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.873 84.6 37.5 -34.8 -48.6 27.1 24.0 46.1 79 79 A E H > S+ 0 0 63 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.846 115.6 47.3 -86.6 -34.8 30.6 25.4 46.7 80 80 A L H >4 S+ 0 0 0 -4,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.946 114.6 52.1 -67.4 -42.9 32.5 24.2 43.7 81 81 A N H >< S+ 0 0 36 -4,-3.3 3,-1.9 1,-0.3 -2,-0.2 0.907 104.5 53.3 -56.1 -48.8 29.6 25.3 41.6 82 82 A K H 3< S+ 0 0 134 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.826 115.4 43.4 -56.3 -29.9 29.6 28.8 43.0 83 83 A R T << S+ 0 0 57 -4,-1.0 -70,-1.5 -3,-0.6 2,-0.3 0.247 96.4 97.1-104.6 10.2 33.2 29.0 42.1 84 84 A T B < S-A 12 0A 0 -3,-1.9 -72,-0.2 -72,-0.3 -67,-0.0 -0.752 79.6 -97.4-103.3 151.2 33.0 27.5 38.6 85 85 A Q - 0 0 34 -74,-1.7 2,-0.2 -2,-0.3 -1,-0.1 -0.160 39.6-104.0 -62.8 155.6 32.8 29.3 35.3 86 86 A D - 0 0 72 515,-0.1 2,-0.2 -74,-0.0 -1,-0.1 -0.561 39.0-151.7 -76.9 144.3 29.6 29.9 33.5 87 87 A F - 0 0 20 -2,-0.2 2,-0.3 67,-0.1 514,-0.2 -0.693 31.1 -77.5-113.4 166.2 28.9 27.7 30.5 88 88 A W - 0 0 55 512,-2.6 516,-0.1 -2,-0.2 -1,-0.1 -0.508 64.5 -97.3 -59.3 122.2 26.9 28.0 27.3 89 89 A E - 0 0 124 -2,-0.3 3,-0.4 514,-0.2 -1,-0.1 -0.209 38.0-125.3 -47.2 120.6 23.3 27.5 28.3 90 90 A V S S- 0 0 59 1,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.831 76.4 -30.3 -37.8 -93.1 22.6 23.8 27.5 91 91 A Q - 0 0 58 597,-0.1 2,-0.5 0, 0.0 -1,-0.3 -0.970 66.6-175.8-124.5 118.2 19.6 24.1 25.2 92 92 A L + 0 0 76 -2,-0.4 2,-0.1 -3,-0.4 593,-0.0 -0.960 62.2 44.7-116.8 120.9 17.4 27.0 25.9 93 93 A G S S- 0 0 31 -2,-0.5 0, 0.0 2,-0.0 0, 0.0 -0.115 77.0-135.9 110.0 133.1 14.4 26.9 23.6 94 94 A I - 0 0 75 -2,-0.1 592,-0.1 592,-0.0 591,-0.1 -0.976 19.4-104.2-134.0 139.7 12.5 23.6 23.1 95 95 A P - 0 0 4 0, 0.0 590,-0.1 0, 0.0 287,-0.1 -0.314 29.4-140.2 -65.9 136.6 11.1 22.0 20.0 96 96 A H > - 0 0 24 1,-0.1 3,-2.1 588,-0.1 4,-0.4 -0.798 12.8-131.7 -91.9 136.9 7.3 22.3 19.5 97 97 A P G > S+ 0 0 0 0, 0.0 3,-3.6 0, 0.0 222,-0.3 0.919 105.2 65.5 -47.4 -47.4 5.6 19.1 18.1 98 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 220,-0.1 219,-0.0 0.637 99.9 54.8 -57.5 -13.3 3.8 21.2 15.5 99 99 A G G < S+ 0 0 3 -3,-2.1 -1,-0.3 219,-0.1 2,-0.2 0.546 86.4 103.3 -94.8 -11.0 7.2 21.9 14.0 100 100 A L S < S- 0 0 45 -3,-3.6 219,-2.3 -4,-0.4 2,-0.3 -0.466 71.4-125.0 -76.3 142.4 8.2 18.3 13.6 101 101 A K - 0 0 79 217,-0.2 219,-0.1 -2,-0.2 -1,-0.1 -0.642 36.7 -96.8 -81.6 143.4 8.1 16.6 10.2 102 102 A K - 0 0 138 217,-0.3 2,-0.3 -2,-0.3 135,-0.2 -0.265 44.2-162.2 -56.2 144.3 6.1 13.4 9.9 103 103 A N - 0 0 31 133,-2.2 89,-0.2 1,-0.1 3,-0.1 -0.995 23.4-141.8-140.4 143.8 8.1 10.2 10.2 104 104 A K S S+ 0 0 135 -2,-0.3 2,-0.3 1,-0.2 88,-0.2 0.927 86.9 9.2 -71.8 -48.3 7.5 6.6 9.3 105 105 A S E -F 191 0E 20 86,-3.3 86,-2.5 89,-0.1 2,-0.4 -0.998 64.9-166.1-140.2 141.4 9.1 4.9 12.3 106 106 A V E -F 190 0E 33 -2,-0.3 2,-0.4 84,-0.2 84,-0.2 -0.966 3.0-172.1-129.8 139.3 10.5 6.3 15.6 107 107 A T E -F 189 0E 30 82,-2.2 82,-3.9 -2,-0.4 2,-0.4 -0.996 13.0-146.4-133.4 139.3 12.8 4.7 18.3 108 108 A V E -F 188 0E 27 115,-0.6 2,-0.4 -2,-0.4 115,-0.3 -0.850 15.3-176.4 -98.4 136.7 13.9 5.9 21.7 109 109 A L E -F 187 0E 8 78,-3.4 78,-2.4 -2,-0.4 2,-0.5 -0.998 11.6-151.4-130.2 131.9 17.4 5.0 23.0 110 110 A D E -F 186 0E 70 -2,-0.4 76,-0.2 76,-0.2 2,-0.2 -0.889 13.1-131.5-108.5 126.2 18.5 5.9 26.6 111 111 A V - 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