==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 17-SEP-95 1REV . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.REN,R.ESNOUF,A.HOPKINS,C.ROSS,Y.JONES,D.STAMMERS,D.STUART . 937 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 13.7 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 . 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 . 60 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 25.3 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 1 3 2 1 1 0 1 0 1 0 3 2 4 0 0 2 2 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 . 9 2 7 0 3 4 2 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 . 4 0 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 4 A P 0 0 150 0, 0.0 2,-0.3 0, 0.0 114,-0.1 0.000 360.0 360.0 360.0 170.2 15.3 -57.6 36.2 2 5 A I - 0 0 25 207,-0.1 2,-0.3 1,-0.0 158,-0.0 -0.723 360.0 -93.6-109.1 155.3 17.2 -54.8 34.6 3 6 A E - 0 0 147 -2,-0.3 2,-0.2 1,-0.1 -1,-0.0 -0.529 48.1-114.4 -65.9 127.6 20.9 -54.3 34.2 4 7 A T - 0 0 45 -2,-0.3 113,-0.1 113,-0.1 -1,-0.1 -0.467 19.8-136.1 -70.4 129.5 22.3 -52.2 37.1 5 8 A V - 0 0 11 111,-0.3 113,-0.7 -2,-0.2 2,-0.4 -0.778 22.5-125.6 -88.1 119.2 23.7 -48.8 36.3 6 9 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 571,-0.0 -0.540 28.0-167.4 -69.5 121.7 27.0 -48.2 38.1 7 10 A V - 0 0 8 -2,-0.4 2,-0.3 77,-0.0 572,-0.1 -0.829 4.2-172.1-109.7 148.7 27.0 -45.0 40.2 8 11 A K - 0 0 141 -2,-0.3 74,-2.0 571,-0.1 2,-0.1 -0.936 26.1-111.9-135.4 157.0 30.1 -43.3 41.8 9 12 A L B -A 81 0A 21 -2,-0.3 72,-0.3 72,-0.2 3,-0.1 -0.469 52.7 -82.2 -83.2 161.7 30.5 -40.4 44.2 10 13 A K > - 0 0 74 70,-3.2 3,-0.8 1,-0.1 -1,-0.1 -0.465 68.3 -84.6 -61.9 137.4 32.1 -37.2 42.9 11 14 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.156 112.8 22.0 -49.7 132.3 35.9 -37.8 42.9 12 15 A G T 3 S+ 0 0 89 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.743 100.3 111.9 82.1 26.6 37.6 -37.1 46.3 13 16 A M < - 0 0 82 -3,-0.8 -1,-0.3 67,-0.1 2,-0.3 -0.947 52.4-146.0-134.2 152.8 34.5 -37.4 48.5 14 17 A D - 0 0 82 -2,-0.3 3,-0.1 1,-0.1 -4,-0.1 -0.700 39.2 -86.0-108.8 162.1 33.1 -39.8 51.1 15 18 A G - 0 0 3 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.168 59.1 -73.7 -65.9 165.4 29.5 -40.7 51.7 16 19 A P - 0 0 0 0, 0.0 38,-2.2 0, 0.0 -1,-0.1 -0.334 41.2-178.9 -63.5 132.7 27.1 -38.6 53.8 17 20 A K B +b 54 0B 114 36,-0.3 2,-0.4 -3,-0.1 38,-0.2 -0.437 27.0 152.0-128.8 54.0 27.7 -38.9 57.6 18 21 A V - 0 0 50 36,-1.9 2,-0.0 1,-0.1 0, 0.0 -0.732 44.6-111.4 -97.3 138.9 24.8 -36.7 58.8 19 22 A K - 0 0 142 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 -0.246 26.8-119.7 -64.1 147.3 23.0 -36.9 62.2 20 23 A Q - 0 0 26 36,-0.1 3,-0.1 35,-0.1 -1,-0.1 -0.753 31.2-114.5 -90.6 130.5 19.4 -38.0 62.4 21 24 A W - 0 0 91 -2,-0.4 36,-0.1 36,-0.2 -1,-0.1 -0.325 40.9 -91.8 -62.8 145.4 17.0 -35.4 64.0 22 25 A P - 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.342 53.1-145.4 -57.9 136.1 15.5 -36.5 67.3 23 26 A L - 0 0 35 -3,-0.1 2,-0.4 35,-0.0 35,-0.0 -0.802 10.3-112.7-113.4 156.1 12.2 -38.1 66.5 24 27 A T >> - 0 0 71 -2,-0.3 4,-2.7 1,-0.1 3,-1.0 -0.682 26.4-126.8 -81.8 130.8 8.8 -38.3 68.1 25 28 A E H 3> S+ 0 0 109 -2,-0.4 4,-2.9 1,-0.3 5,-0.3 0.889 111.8 57.4 -40.7 -51.8 7.8 -41.8 69.4 26 29 A E H 3> S+ 0 0 107 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.886 111.7 41.7 -47.2 -47.1 4.6 -41.5 67.4 27 30 A K H <> S+ 0 0 63 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.931 109.6 56.6 -70.7 -43.9 6.7 -41.0 64.3 28 31 A I H X S+ 0 0 11 -4,-2.7 4,-2.9 1,-0.3 5,-0.3 0.921 105.9 52.6 -53.0 -45.2 9.3 -43.7 65.2 29 32 A K H X S+ 0 0 111 -4,-2.9 4,-1.5 1,-0.2 -1,-0.3 0.900 110.8 47.7 -57.9 -41.2 6.4 -46.2 65.4 30 33 A A H X S+ 0 0 6 -4,-1.3 4,-2.3 -5,-0.3 -2,-0.2 0.908 111.8 49.6 -67.4 -41.6 5.3 -45.1 61.9 31 34 A L H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.927 106.8 53.4 -64.3 -47.8 8.9 -45.4 60.5 32 35 A V H X S+ 0 0 53 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.900 111.6 48.3 -54.8 -41.6 9.5 -48.8 61.9 33 36 A E H X S+ 0 0 142 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.937 114.0 43.8 -63.2 -52.1 6.3 -50.0 60.2 34 37 A I H X S+ 0 0 36 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.931 114.6 50.1 -61.2 -46.0 7.1 -48.4 56.8 35 38 A C H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.877 108.6 51.3 -62.8 -39.0 10.7 -49.6 56.8 36 39 A T H X S+ 0 0 67 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.931 107.8 54.3 -62.9 -43.3 9.7 -53.2 57.7 37 40 A E H X S+ 0 0 94 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.938 109.7 47.2 -53.5 -49.6 7.2 -53.1 54.8 38 41 A M H <>S+ 0 0 31 -4,-2.2 5,-2.0 1,-0.2 6,-1.1 0.796 111.4 50.8 -65.2 -32.1 10.0 -52.1 52.4 39 42 A E H ><5S+ 0 0 53 -4,-1.8 3,-1.2 3,-0.2 -1,-0.2 0.856 107.6 51.3 -74.8 -38.5 12.4 -54.8 53.8 40 43 A K H 3<5S+ 0 0 169 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.873 111.6 49.8 -63.5 -34.5 9.8 -57.5 53.3 41 44 A E T 3<5S- 0 0 98 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.393 114.8-123.7 -82.8 2.3 9.5 -56.2 49.8 42 45 A G T < 5S+ 0 0 37 -3,-1.2 -3,-0.2 2,-0.2 -4,-0.1 0.490 78.1 124.5 69.0 3.4 13.3 -56.3 49.5 43 46 A K S - 0 0 37 -2,-0.2 3,-1.6 1,-0.1 -1,-0.0 -0.530 43.0 -90.0 -98.7 172.1 25.5 -54.0 60.4 49 52 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.500 110.6 90.7 -57.8 -6.3 27.5 -51.5 62.5 50 53 A E T 3 + 0 0 178 2,-0.0 -3,-0.0 1,-0.0 0, 0.0 0.915 68.4 81.9 -56.3 -46.5 30.0 -51.7 59.7 51 54 A N < + 0 0 16 -3,-1.6 -4,-0.1 1,-0.1 -1,-0.0 -0.508 50.1 178.7 -73.6 117.1 28.4 -48.7 57.9 52 55 A P + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.592 53.6 98.7 -88.7 -16.5 29.4 -45.2 59.1 53 56 A Y + 0 0 26 70,-0.1 2,-0.3 -36,-0.1 -36,-0.3 -0.440 47.9 173.0 -76.1 148.5 27.2 -43.3 56.6 54 57 A N B -b 17 0B 17 -38,-2.2 -36,-1.9 -2,-0.1 73,-0.3 -0.990 19.2-163.4-156.9 150.4 23.8 -41.9 57.4 55 58 A T B -d 127 0C 0 71,-0.8 73,-0.5 -2,-0.3 19,-0.1 -0.999 33.0-107.3-138.4 129.6 21.0 -39.7 56.0 56 59 A P - 0 0 2 0, 0.0 17,-3.3 0, 0.0 2,-0.3 -0.305 32.1-169.0 -60.1 137.4 18.1 -38.1 58.0 57 60 A V E +F 72 0D 0 71,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.868 5.8 179.1-126.0 153.1 14.6 -39.4 57.7 58 61 A F E -F 71 0D 55 13,-2.2 13,-2.3 -2,-0.3 2,-0.4 -0.980 27.0-114.3-155.7 149.0 11.3 -37.8 58.9 59 62 A A E -F 70 0D 10 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.757 30.7-179.9 -92.7 132.8 7.6 -38.6 58.9 60 63 A I E -F 69 0D 60 9,-2.0 9,-2.0 -2,-0.4 2,-0.3 -0.928 23.8-125.8-128.5 148.6 5.1 -36.5 57.0 61 64 A K E -F 68 0D 85 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.761 36.2-100.5 -96.2 143.7 1.3 -36.9 56.6 62 65 A K > - 0 0 94 5,-1.0 3,-1.8 -2,-0.3 5,-0.2 -0.369 49.9 -88.7 -63.1 138.5 -0.3 -37.0 53.1 63 66 A K T 3 S- 0 0 195 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.238 107.1 -9.4 -53.6 120.6 -1.8 -33.7 51.9 64 67 A D T 3 S+ 0 0 174 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.842 121.9 93.4 54.5 41.5 -5.5 -33.5 53.0 65 68 A S S < S- 0 0 70 -3,-1.8 2,-0.4 2,-0.1 -1,-0.2 -0.903 76.1-122.2-148.2 167.3 -5.4 -37.2 54.2 66 69 A T + 0 0 122 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.706 66.8 86.9-124.1 83.6 -4.6 -38.8 57.5 67 70 A K S S- 0 0 120 -2,-0.4 -5,-1.0 -5,-0.2 2,-0.3 -0.973 70.1 -89.7-164.6 166.5 -1.7 -41.2 57.4 68 71 A W E -F 61 0D 45 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.641 30.0-172.6 -93.5 148.3 2.1 -41.4 57.6 69 72 A R E -F 60 0D 90 -9,-2.0 -9,-2.0 -2,-0.3 2,-0.5 -0.938 20.6-129.0-133.1 152.5 4.8 -41.0 54.9 70 73 A K E -F 59 0D 18 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.906 24.5-177.0-107.9 124.1 8.5 -41.6 55.0 71 74 A L E -F 58 0D 64 -13,-2.3 -13,-2.2 -2,-0.5 2,-0.4 -0.989 9.3-159.7-124.8 128.0 10.8 -38.8 53.6 72 75 A V E -F 57 0D 21 -2,-0.4 2,-1.5 76,-0.3 -15,-0.2 -0.903 18.2-134.3-107.1 134.1 14.6 -39.1 53.4 73 76 A D > + 0 0 30 -17,-3.3 3,-0.5 -2,-0.4 4,-0.3 -0.594 32.5 168.5 -88.4 80.1 16.6 -35.9 53.2 74 77 A F T 3> + 0 0 5 -2,-1.5 4,-2.7 1,-0.2 5,-0.2 0.319 39.5 112.1 -77.3 12.2 19.0 -36.8 50.4 75 78 A R H 3> S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.928 80.8 43.3 -48.3 -57.3 20.4 -33.3 49.9 76 79 A E H X> S+ 0 0 70 -3,-0.5 4,-1.4 1,-0.2 3,-0.7 0.935 113.3 48.9 -56.2 -55.0 23.9 -34.2 51.2 77 80 A L H 3> S+ 0 0 0 -4,-0.3 4,-1.1 1,-0.3 3,-0.3 0.878 109.8 56.3 -54.4 -36.1 24.2 -37.5 49.4 78 81 A N H 3< S+ 0 0 41 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.840 102.0 53.2 -65.4 -36.6 23.1 -35.6 46.3 79 82 A K H << S+ 0 0 109 -4,-1.6 -1,-0.2 -3,-0.7 -2,-0.2 0.806 115.0 43.6 -66.4 -31.1 25.9 -33.1 46.6 80 83 A R H < S+ 0 0 55 -4,-1.4 -70,-3.2 -3,-0.3 -2,-0.2 0.577 93.9 96.0 -89.2 -17.7 28.3 -36.0 46.8 81 84 A T B < S-A 9 0A 0 -4,-1.1 -72,-0.2 -72,-0.3 -74,-0.0 -0.535 81.7-109.6 -76.0 143.4 26.8 -38.1 43.9 82 85 A Q - 0 0 20 -74,-2.0 2,-0.2 -2,-0.2 -1,-0.1 -0.180 38.9 -97.7 -63.0 166.6 28.3 -37.8 40.5 83 86 A D - 0 0 63 496,-0.1 2,-0.2 -74,-0.1 -1,-0.1 -0.539 36.1-152.2 -86.1 154.8 26.4 -36.0 37.7 84 87 A F - 0 0 6 -2,-0.2 495,-0.2 497,-0.1 -77,-0.0 -0.650 34.8-103.0-116.6 174.5 24.4 -38.1 35.2 85 88 A W + 0 0 56 493,-1.1 494,-0.1 -2,-0.2 -1,-0.1 0.879 69.4 176.7 -63.7 -34.2 23.5 -37.2 31.7 86 89 A E - 0 0 80 492,-0.3 2,-0.5 66,-0.1 66,-0.0 0.185 37.3 -41.7 55.4-179.9 20.1 -36.5 33.3 87 90 A V - 0 0 96 2,-0.0 2,-0.1 -3,-0.0 68,-0.1 -0.709 56.6-140.2 -82.6 122.4 17.0 -35.1 31.6 88 91 A Q - 0 0 86 -2,-0.5 -2,-0.0 2,-0.1 -3,-0.0 -0.497 21.7-119.5 -73.6 154.5 17.7 -32.3 29.2 89 92 A L S S+ 0 0 156 -2,-0.1 2,-1.0 2,-0.1 -1,-0.1 0.341 77.1 125.1 -77.9 10.0 15.2 -29.5 29.3 90 93 A G + 0 0 31 573,-0.0 -2,-0.1 2,-0.0 -1,-0.0 -0.601 37.3 173.5 -76.7 102.7 14.5 -30.4 25.6 91 94 A I - 0 0 59 -2,-1.0 2,-0.2 1,-0.0 573,-0.1 -0.793 35.1-100.8-110.9 151.4 10.7 -31.1 25.4 92 95 A P - 0 0 9 0, 0.0 571,-0.1 0, 0.0 287,-0.1 -0.473 30.2-134.4 -72.7 137.0 8.6 -31.7 22.3 93 96 A H > - 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