==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-04 1TV6 . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE P66 SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 . AUTHOR J.D.PATA,W.G.STIRTAN,S.W.GOLDSTEIN,T.A.STEITZ . 946 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 61.0 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 . 115 12.2 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 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 . 59 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 24.2 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 3 0 1 1 0 1 0 1 1 5 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 3 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 . 6 2 5 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 3 2 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 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 72 0, 0.0 2,-0.2 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 110.9 169.6 -17.1 77.3 2 2 A I - 0 0 65 42,-0.6 116,-0.2 1,-0.1 115,-0.1 -0.386 360.0-117.5 -62.4 123.3 168.4 -13.7 76.3 3 3 A S - 0 0 4 114,-3.2 210,-0.2 -2,-0.2 -1,-0.1 -0.101 6.9-129.4 -59.3 155.0 166.7 -13.8 72.9 4 4 A P + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.371 67.2 128.6 -87.5 5.1 168.1 -11.9 69.8 5 5 A I - 0 0 22 207,-0.3 158,-0.0 1,-0.1 2,-0.0 -0.113 69.1 -93.6 -60.3 158.1 164.7 -10.4 69.2 6 6 A E - 0 0 150 157,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.329 41.3-124.6 -67.2 154.4 164.1 -6.6 68.8 7 7 A T - 0 0 55 113,-0.1 113,-0.1 -3,-0.1 -1,-0.1 -0.710 14.3-120.3-103.3 158.5 163.3 -4.7 71.9 8 8 A V - 0 0 11 111,-0.3 113,-0.5 -2,-0.3 2,-0.3 -0.851 30.3-117.6 -96.8 123.7 160.3 -2.4 72.4 9 9 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.417 37.2-167.9 -62.8 120.3 161.1 1.2 73.2 10 10 A V - 0 0 8 -2,-0.3 2,-0.3 74,-0.0 575,-0.0 -0.793 8.1-175.1-112.8 155.4 159.8 2.1 76.6 11 11 A K - 0 0 154 -2,-0.3 74,-2.2 75,-0.1 2,-0.3 -0.964 24.8-114.6-142.9 159.2 159.4 5.5 78.4 12 12 A L B -A 84 0A 28 -2,-0.3 72,-0.3 72,-0.3 4,-0.1 -0.708 56.1 -73.6 -95.1 148.8 158.3 6.8 81.8 13 13 A K > - 0 0 65 70,-1.8 3,-2.4 -2,-0.3 -1,-0.2 -0.005 65.9 -84.0 -40.6 140.0 155.2 8.9 82.1 14 14 A P T 3 S+ 0 0 146 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.555 118.1 16.6 -13.2 -64.2 155.6 12.5 80.7 15 15 A G T 3 S+ 0 0 78 2,-0.0 -2,-0.1 0, 0.0 2,-0.1 0.009 105.0 98.9-116.5 33.4 157.2 14.4 83.6 16 16 A M < - 0 0 104 -3,-2.4 2,-0.3 67,-0.2 -4,-0.1 -0.250 48.3-152.7-106.0-168.5 158.5 11.7 85.9 17 17 A D - 0 0 58 -2,-0.1 3,-0.1 110,-0.0 -4,-0.1 -0.960 33.5 -67.0-156.7 171.0 161.8 9.9 86.7 18 18 A G - 0 0 2 -2,-0.3 2,-0.2 1,-0.1 110,-0.1 -0.126 58.0 -82.6 -68.0 159.1 163.0 6.6 88.0 19 19 A P + 0 0 0 0, 0.0 38,-4.6 0, 0.0 -1,-0.1 -0.372 35.5 178.3 -64.0 124.4 162.7 5.1 91.5 20 20 A K + 0 0 111 36,-0.3 38,-0.1 -2,-0.2 -2,-0.0 0.431 27.8 148.4-104.8 -2.3 165.2 6.3 94.0 21 21 A V - 0 0 55 36,-0.3 2,-0.2 1,-0.1 58,-0.0 -0.009 47.9-122.4 -35.4 120.7 163.7 4.2 96.9 22 22 A K - 0 0 162 1,-0.1 2,-0.2 36,-0.1 -1,-0.1 -0.475 21.9-105.9 -79.7 144.7 166.6 3.3 99.2 23 23 A Q - 0 0 31 -2,-0.2 -1,-0.1 35,-0.1 109,-0.0 -0.432 25.0-132.4 -68.7 129.8 167.5 -0.3 100.0 24 24 A W - 0 0 194 36,-0.2 2,-0.1 -2,-0.2 -1,-0.1 -0.741 22.9-135.0 -84.5 109.5 166.5 -1.6 103.5 25 25 A P + 0 0 83 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.446 44.6 141.6 -66.9 135.5 169.6 -3.3 104.9 26 26 A L + 0 0 102 1,-0.2 5,-0.1 -2,-0.1 0, 0.0 -0.677 41.2 4.7-147.8-156.3 168.7 -6.6 106.5 27 27 A T > - 0 0 62 -2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.047 44.9-151.5 -36.9 128.1 169.7 -10.3 107.2 28 28 A E T 4 S+ 0 0 74 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.573 96.7 69.5 -80.8 -8.9 173.1 -11.2 105.8 29 29 A E T > S+ 0 0 125 2,-0.2 4,-0.6 1,-0.1 -1,-0.2 0.838 105.9 40.5 -72.5 -31.9 171.7 -14.7 105.4 30 30 A K H >> S+ 0 0 63 -3,-0.4 4,-2.3 2,-0.2 3,-1.6 0.932 105.7 60.4 -77.0 -51.1 169.6 -13.2 102.7 31 31 A I H 3X S+ 0 0 17 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.605 99.2 66.6 -53.1 -6.7 172.4 -11.0 101.4 32 32 A K H 3> S+ 0 0 121 2,-0.2 4,-1.5 -5,-0.1 -1,-0.3 0.892 105.2 35.8 -79.9 -47.4 173.9 -14.5 100.9 33 33 A A H S+ 0 0 12 -4,-2.8 6,-1.5 1,-0.2 5,-1.1 0.767 107.2 55.0 -67.5 -26.0 172.1 -14.0 86.5 42 42 A E H <5S+ 0 0 67 -4,-2.1 3,-0.4 -5,-0.3 -1,-0.2 0.865 109.2 47.9 -73.9 -36.2 175.0 -11.8 85.7 43 43 A K H <5S+ 0 0 142 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.950 109.6 50.1 -67.9 -50.9 176.7 -14.6 83.9 44 44 A E T <5S- 0 0 89 -4,-2.4 -42,-0.6 -5,-0.1 -1,-0.2 0.558 115.8-121.0 -64.7 -7.4 173.6 -15.6 81.9 45 45 A G T 5S+ 0 0 23 -3,-0.4 -3,-0.2 2,-0.2 -1,-0.1 0.413 78.9 126.1 82.2 -0.9 173.5 -11.9 81.1 46 46 A K S > - 0 0 96 5,-0.9 3,-2.0 -2,-0.4 4,-1.7 -0.735 25.4-152.0 -83.0 91.6 161.1 -21.6 98.8 66 66 A K T 34 S+ 0 0 179 -2,-1.6 -1,-0.2 1,-0.3 5,-0.0 0.836 87.5 49.0 -31.3 -57.5 160.6 -23.4 102.0 67 67 A D T 34 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.682 117.0 37.3 -62.8 -24.5 160.3 -26.8 100.2 68 68 A S T <4 S- 0 0 57 -3,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.854 87.3-131.9-100.0 -38.2 163.5 -26.6 98.0 69 69 A T S < S+ 0 0 110 -4,-1.7 2,-0.7 1,-0.2 -3,-0.1 -0.046 73.0 115.9 103.5 -24.0 166.3 -24.7 100.0 70 70 A K - 0 0 130 -5,-0.2 -5,-0.9 -6,-0.1 -1,-0.2 -0.675 62.6-140.4 -81.0 111.2 166.9 -22.5 96.9 71 71 A W E -E 64 0C 43 -2,-0.7 2,-0.4 -7,-0.2 -7,-0.3 -0.230 11.2-142.4 -63.9 161.0 166.1 -18.9 97.8 72 72 A R E -E 63 0C 78 -9,-3.4 -9,-2.5 2,-0.0 2,-0.2 -0.996 11.6-128.5-129.6 131.4 164.3 -16.8 95.2 73 73 A K E -E 62 0C 5 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.520 23.5-166.0 -79.3 147.2 165.1 -13.1 94.6 74 74 A L E -E 61 0C 73 -13,-0.9 -13,-2.4 -2,-0.2 2,-0.5 -0.996 10.4-167.0-136.7 132.2 162.2 -10.6 94.6 75 75 A V E -E 60 0C 14 -2,-0.4 2,-1.6 -15,-0.2 -15,-0.2 -0.958 16.4-145.7-122.2 114.4 162.2 -7.0 93.4 76 76 A D > + 0 0 56 -17,-0.9 3,-0.6 -2,-0.5 4,-0.1 -0.614 24.5 174.0 -79.7 89.6 159.2 -5.0 94.4 77 77 A F T >> + 0 0 4 -2,-1.6 3,-2.3 74,-0.2 4,-2.2 0.491 39.9 115.3 -76.9 -5.3 158.9 -2.8 91.3 78 78 A R H 3> S+ 0 0 146 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.655 74.7 53.7 -38.5 -29.2 155.7 -1.1 92.3 79 79 A E H <4 S+ 0 0 56 -3,-0.6 4,-0.4 2,-0.2 -1,-0.3 0.828 111.9 43.5 -80.7 -30.5 157.3 2.3 92.5 80 80 A L H X> S+ 0 0 0 -3,-2.3 3,-1.8 2,-0.2 4,-1.7 0.908 106.9 60.5 -75.1 -46.6 158.8 2.0 89.0 81 81 A N H 3< S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 101.7 55.1 -50.2 -31.9 155.5 0.7 87.7 82 82 A K T 3< S+ 0 0 108 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.791 113.2 41.3 -74.3 -24.1 153.9 4.0 88.8 83 83 A R T <4 S+ 0 0 72 -3,-1.8 -70,-1.8 -4,-0.4 2,-0.4 0.583 95.6 95.4 -98.9 -11.0 156.5 5.8 86.8 84 84 A T B < S-A 12 0A 0 -4,-1.7 -72,-0.3 -72,-0.3 -67,-0.0 -0.677 79.6-111.4 -86.2 131.9 156.4 3.6 83.7 85 85 A Q - 0 0 28 -74,-2.2 2,-0.2 -2,-0.4 -1,-0.1 0.189 40.8 -86.4 -47.7 174.2 154.1 4.6 80.8 86 86 A D - 0 0 67 499,-0.1 2,-0.2 -74,-0.0 -1,-0.1 -0.617 41.1-157.8 -89.9 148.6 151.0 2.7 79.8 87 87 A F - 0 0 22 -2,-0.2 2,-1.1 500,-0.1 498,-0.2 -0.701 39.9 -77.5-118.5 170.7 151.1 -0.3 77.5 88 88 A W - 0 0 20 496,-1.7 3,-0.3 -2,-0.2 500,-0.1 -0.606 68.4-103.3 -70.0 104.1 148.5 -2.0 75.3 89 89 A E - 0 0 101 -2,-1.1 2,-1.8 1,-0.2 -1,-0.1 0.083 36.7-100.7 -30.5 130.6 146.7 -3.9 78.1 90 90 A V - 0 0 51 1,-0.2 -1,-0.2 -3,-0.0 68,-0.1 -0.445 57.6-102.7 -61.0 91.3 147.8 -7.5 77.9 91 91 A Q - 0 0 43 -2,-1.8 -1,-0.2 -3,-0.3 2,-0.1 0.154 50.7-163.6 -24.8 101.3 144.6 -8.3 76.1 92 92 A L + 0 0 119 2,-0.1 -1,-0.1 0, 0.0 577,-0.0 -0.340 45.8 95.3 -88.6 175.9 142.6 -9.9 78.8 93 93 A G - 0 0 26 -2,-0.1 3,-0.1 2,-0.1 0, 0.0 0.617 66.4-129.2 101.9 96.9 139.5 -12.0 78.4 94 94 A I - 0 0 51 1,-0.1 576,-0.1 89,-0.0 575,-0.1 -0.654 29.7-102.0 -81.7 131.4 140.2 -15.7 78.3 95 95 A P - 0 0 10 0, 0.0 574,-0.1 0, 0.0 -1,-0.1 -0.087 34.8-117.2 -49.4 142.8 138.8 -17.6 75.4 96 96 A H > - 0 0 23 572,-0.2 3,-3.1 1,-0.1 4,-0.5 -0.781 14.7-134.5 -90.1 122.5 135.7 -19.6 76.2 97 97 A P G > S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 219,-0.3 0.761 101.8 67.7 -43.3 -33.4 136.3 -23.4 75.8 98 98 A A G 3 S+ 0 0 0 1,-0.2 249,-0.0 217,-0.1 216,-0.0 0.600 99.6 51.6 -67.6 -8.4 132.9 -23.7 74.0 99 99 A G G < S+ 0 0 2 -3,-3.1 -1,-0.2 569,-0.1 2,-0.2 0.580 81.6 103.9-104.6 -13.4 134.3 -21.6 71.1 100 100 A L S < S- 0 0 18 -3,-0.9 216,-2.1 -4,-0.5 2,-0.4 -0.490 76.9-117.3 -70.2 136.7 137.5 -23.5 70.4 101 101 A K B -f 316 0D 49 -2,-0.2 216,-0.1 214,-0.2 -1,-0.1 -0.626 37.1-105.7 -76.7 130.0 137.3 -25.7 67.2 102 102 A K - 0 0 108 214,-1.2 2,-0.3 -2,-0.4 -1,-0.1 -0.178 41.0-169.4 -55.2 141.9 137.8 -29.4 68.1 103 103 A K - 0 0 46 1,-0.1 89,-0.2 130,-0.1 3,-0.1 -0.868 31.9-128.3-131.1 163.9 141.1 -30.9 67.2 104 104 A K S S+ 0 0 136 87,-1.7 2,-0.4 -2,-0.3 88,-0.2 0.913 97.3 17.8 -77.2 -42.7 142.6 -34.4 67.1 105 105 A S E +G 191 0E 22 86,-1.7 86,-2.1 -3,-0.1 2,-0.4 -0.991 62.3 179.0-136.2 138.4 145.6 -33.5 69.1 106 106 A V E -G 190 0E 50 -2,-0.4 2,-0.3 84,-0.2 84,-0.3 -0.980 6.2-175.0-139.4 123.3 146.4 -30.5 71.4 107 107 A T E -G 189 0E 38 82,-2.9 82,-2.9 -2,-0.4 2,-0.4 -0.863 12.3-147.3-117.3 151.0 149.6 -30.0 73.4 108 108 A V E -G 188 0E 48 -2,-0.3 2,-0.4 112,-0.3 80,-0.2 -0.911 9.1-161.5-116.7 145.3 150.4 -27.3 75.9 109 109 A L E -G 187 0E 6 78,-2.0 78,-3.4 -2,-0.4 2,-1.0 -0.990 17.0-133.6-130.7 125.7 153.9 -25.9 76.4 110 110 A D E -G 186 0E 76 -2,-0.4 2,-1.3 76,-0.2 76,-0.2 -0.658 17.6-174.8 -81.6 104.2 155.1 -24.0 79.5 111 111 A V > + 0 0 6 74,-2.3 3,-0.6 -2,-1.0 4,-0.3 -0.510 35.0 141.7 -92.8 62.8 156.9 -20.9 78.3 112 112 A G G > + 0 0 19 -2,-1.3 2,-3.1 1,-0.2 3,-0.6 1.000 61.4 41.9 -69.8 -75.8 157.8 -20.1 81.9 113 113 A D G 3 S+ 0 0 85 -3,-0.2 102,-0.3 1,-0.2 -1,-0.2 -0.044 95.1 108.6 -68.2 41.9 161.4 -18.8 82.1 114 114 A A G X + 0 0 0 -2,-3.1 3,-3.4 -3,-0.6 -1,-0.2 0.971 64.4 46.7 -85.4 -68.0 160.3 -16.8 79.0 115 115 A Y G X S+ 0 0 54 -3,-0.6 3,-1.1 -4,-0.3 34,-0.9 0.756 109.1 60.0 -50.5 -25.0 159.9 -13.2 79.8 116 116 A F G 3 S+ 0 0 13 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.673 98.4 59.6 -77.7 -14.3 163.2 -13.3 81.6 117 117 A S G < S+ 0 0 0 -3,-3.4 -114,-3.2 -115,-0.1 -1,-0.3 0.086 88.7 96.2 -97.4 19.9 164.8 -14.4 78.3 118 118 A V S < S- 0 0 2 -3,-1.1 31,-1.5 -116,-0.2 -116,-0.1 -0.942 76.3-119.1-119.9 123.2 163.7 -11.2 76.6 119 119 A P B -I 148 0F 9 0, 0.0 2,-0.4 0, 0.0 -111,-0.3 -0.156 23.9-137.9 -55.6 146.1 165.8 -8.1 76.1 120 120 A L - 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0 0 130 1,-0.2 -2,-0.0 -2,-0.1 -534,-0.0 -0.744 58.5 -34.5-142.2 94.7 113.0 4.9 79.1 939 419 B T - 0 0 80 -2,-0.3 -1,-0.2 1,-0.1 -535,-0.0 0.932 49.3-135.1 68.8 106.5 109.3 5.4 78.6 940 420 B P - 0 0 38 0, 0.0 4,-0.3 0, 0.0 5,-0.2 -0.760 12.4-152.9 -89.5 121.8 107.7 8.7 77.4 941 421 B P S S- 0 0 79 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.950 80.8 -25.2 -55.3 -88.5 104.5 9.6 79.5 942 422 B L S > S+ 0 0 23 1,-0.1 4,-1.2 2,-0.1 5,-0.2 0.356 113.6 102.0-107.1 2.3 102.4 11.6 77.1 943 423 B V H > S+ 0 0 25 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.665 91.0 37.9 -60.8 -17.1 105.3 12.8 75.0 944 424 B K H 4 S+ 0 0 58 -4,-0.3 -1,-0.2 -3,-0.2 4,-0.2 0.803 112.4 53.2 -98.5 -44.6 104.4 10.2 72.3 945 425 B L H 4 S+ 0 0 88 -4,-0.3 -2,-0.2 1,-0.2 3,-0.1 0.622 111.1 55.2 -66.2 -12.2 100.6 10.5 72.5 946 426 B W H < S+ 0 0 2 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.944 105.5 43.7 -84.5 -60.8 101.3 14.2 72.0 947 427 B Y < 0 0 32 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.216 360.0 360.0 -73.9 16.9 103.3 14.3 68.8 948 428 B Q 0 0 96 -4,-0.2 -183,-0.4 -3,-0.1 -3,-0.1 -0.439 360.0 360.0 -70.1 360.0 100.9 11.7 67.2