==== 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 03-MAY-95 1RTJ . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.REN,R.ESNOUF,C.ROSS,Y.JONES,D.STAMMERS,D.STUART . 969 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 13.9 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 0.8 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 . 3 0.3 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 . 66 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 2 1 2 2 0 0 1 1 1 2 2 3 0 2 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 9 4 3 1 2 4 3 2 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 . 5 2 2 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 90 0, 0.0 44,-0.1 0, 0.0 214,-0.1 0.000 360.0 360.0 360.0 151.3 3.6 -48.6 47.8 2 2 A I - 0 0 95 42,-0.9 116,-0.1 1,-0.1 44,-0.1 0.156 360.0-134.3 -44.8 174.6 7.4 -49.5 47.9 3 3 A S - 0 0 28 2,-0.1 2,-0.6 210,-0.1 210,-0.1 -0.915 30.7-129.0-150.7 166.3 8.9 -51.3 44.9 4 4 A P + 0 0 87 0, 0.0 2,-0.4 0, 0.0 209,-0.1 -0.492 69.4 131.5 -95.6 47.4 11.0 -54.0 43.0 5 5 A I - 0 0 14 -2,-0.6 2,-0.6 207,-0.0 -2,-0.1 -0.942 69.6-104.1-109.9 133.4 12.6 -51.2 41.0 6 6 A E - 0 0 148 -2,-0.4 115,-0.1 1,-0.1 0, 0.0 -0.459 38.7-133.1 -58.3 104.2 16.4 -51.0 40.6 7 7 A T - 0 0 15 -2,-0.6 113,-0.1 113,-0.1 -1,-0.1 -0.281 15.5-128.8 -54.0 141.8 17.6 -48.1 42.9 8 8 A V - 0 0 18 111,-0.4 113,-0.4 1,-0.0 2,-0.2 -0.805 23.7-114.0-100.2 136.5 20.0 -45.6 41.4 9 9 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 587,-0.0 -0.496 34.7-167.3 -69.0 134.8 23.3 -44.9 43.3 10 10 A V - 0 0 6 -2,-0.2 2,-0.3 75,-0.0 113,-0.0 -0.987 7.6-174.0-132.5 139.0 23.6 -41.3 44.6 11 11 A K - 0 0 126 -2,-0.4 74,-2.0 75,-0.1 2,-0.1 -0.730 27.2-102.0-120.8 167.4 26.5 -39.4 46.0 12 12 A L B -A 84 0A 25 -2,-0.3 72,-0.3 72,-0.2 3,-0.2 -0.294 50.5 -75.1 -86.2 172.0 27.0 -36.1 47.7 13 13 A K S S- 0 0 60 70,-2.3 3,-0.2 72,-0.2 -1,-0.1 -0.480 85.4 -52.5 -68.3 139.6 28.3 -32.8 46.2 14 14 A P S S- 0 0 114 0, 0.0 -1,-0.2 0, 0.0 70,-0.0 0.215 121.6 -19.7 -19.0 97.9 32.2 -32.9 45.7 15 15 A G S S+ 0 0 84 -3,-0.2 2,-0.3 1,-0.2 -2,-0.1 0.991 102.0 142.3 55.9 71.7 33.6 -33.8 49.0 16 16 A M - 0 0 99 -3,-0.2 2,-0.3 67,-0.1 -1,-0.2 -0.861 43.0-128.8-135.3 166.6 30.6 -33.0 51.3 17 17 A D - 0 0 77 -2,-0.3 -4,-0.1 1,-0.0 3,-0.1 -0.828 34.1 -96.8-113.8 157.6 28.8 -34.3 54.4 18 18 A G - 0 0 0 -2,-0.3 62,-0.1 1,-0.1 110,-0.0 -0.420 55.7 -79.1 -70.5 154.6 25.1 -35.0 55.0 19 19 A P - 0 0 0 0, 0.0 38,-1.8 0, 0.0 -1,-0.1 -0.049 36.9-177.1 -56.7 141.7 22.9 -32.3 56.7 20 20 A K B +b 57 0B 106 36,-0.2 2,-0.6 -3,-0.1 38,-0.2 -0.612 25.0 146.1-142.0 73.5 22.9 -31.7 60.4 21 21 A V - 0 0 42 36,-0.8 58,-0.0 -2,-0.1 35,-0.0 -0.956 48.5-121.0-116.0 106.3 20.3 -29.1 61.0 22 22 A K - 0 0 186 -2,-0.6 2,-0.4 1,-0.1 35,-0.1 0.059 27.6 -96.5 -49.0 153.3 18.5 -29.7 64.4 23 23 A Q - 0 0 21 36,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.576 37.1-122.0 -75.7 126.1 14.8 -30.2 64.7 24 24 A W - 0 0 155 -2,-0.4 2,-0.3 36,-0.3 36,-0.2 -0.233 38.4 -94.1 -58.3 158.9 12.7 -27.1 65.7 25 25 A P - 0 0 104 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.620 49.4-151.1 -80.4 133.7 10.7 -27.5 68.9 26 26 A L - 0 0 35 -2,-0.3 2,-0.2 108,-0.2 35,-0.0 -0.639 15.7-102.9-110.4 163.4 7.1 -28.6 68.2 27 27 A T > - 0 0 59 -2,-0.2 4,-3.7 1,-0.1 5,-0.2 -0.588 32.5-121.3 -77.8 141.3 3.5 -28.3 69.8 28 28 A E H > S+ 0 0 107 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 120.9 46.2 -46.9 -45.1 2.3 -31.3 71.7 29 29 A E H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.985 110.4 48.5 -59.1 -64.5 -0.5 -31.1 69.1 30 30 A K H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.868 115.4 49.1 -48.7 -33.1 1.8 -30.6 66.1 31 31 A I H X S+ 0 0 10 -4,-3.7 4,-2.9 2,-0.2 3,-0.4 0.994 108.8 48.3 -67.5 -66.9 3.8 -33.6 67.4 32 32 A K H X S+ 0 0 115 -4,-2.8 4,-2.7 1,-0.3 5,-0.2 0.892 113.0 51.5 -33.3 -60.4 0.9 -36.0 68.0 33 33 A A H X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.2 -1,-0.3 0.878 112.1 45.2 -45.0 -53.7 -0.3 -35.1 64.5 34 34 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -3,-0.4 -1,-0.2 0.864 109.8 54.1 -63.4 -42.3 3.2 -35.8 63.0 35 35 A V H X S+ 0 0 50 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.952 110.4 46.4 -58.7 -49.2 3.6 -39.1 64.8 36 36 A E H X S+ 0 0 116 -4,-2.7 4,-2.1 2,-0.3 5,-0.2 0.972 111.8 50.3 -58.5 -52.6 0.3 -40.4 63.5 37 37 A I H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.872 114.4 49.1 -51.8 -38.5 1.2 -39.3 60.0 38 38 A C H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.3 0.929 104.0 52.6 -71.5 -47.4 4.4 -41.1 60.6 39 39 A T H X S+ 0 0 72 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.840 115.3 47.5 -58.9 -28.6 3.2 -44.5 61.9 40 40 A E H X S+ 0 0 111 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.974 113.9 44.1 -70.2 -56.2 1.1 -44.5 58.8 41 41 A M H <>S+ 0 0 18 -4,-2.3 5,-1.5 1,-0.2 6,-0.9 0.738 110.9 56.7 -57.6 -34.4 4.0 -43.5 56.5 42 42 A E H ><5S+ 0 0 23 -4,-3.1 3,-1.1 4,-0.2 -1,-0.2 0.924 108.4 46.0 -65.3 -45.8 6.3 -46.0 58.2 43 43 A K H 3<5S+ 0 0 159 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.742 98.3 65.1 -74.3 -26.4 4.0 -48.9 57.5 44 44 A E T 3<5S- 0 0 89 -4,-1.5 -42,-0.9 1,-0.1 -1,-0.3 0.460 120.4-112.2 -72.7 1.6 3.3 -48.1 53.9 45 45 A G T < 5S+ 0 0 19 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.2 0.537 87.5 118.6 79.1 13.8 7.0 -48.9 53.8 46 46 A K S - 0 0 25 -2,-0.2 3,-1.6 91,-0.1 93,-0.1 -0.508 38.0 -45.1-143.4-150.9 18.5 -44.3 65.7 52 52 A P T 3 S+ 0 0 132 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.883 116.1 67.9 -57.0 -41.1 21.5 -42.7 67.6 53 53 A E T 3 S+ 0 0 182 2,-0.1 3,-0.1 0, 0.0 0, 0.0 0.679 85.2 80.8 -56.5 -18.1 24.0 -44.1 65.1 54 54 A N < - 0 0 17 -3,-1.6 -4,-0.0 1,-0.2 73,-0.0 -0.857 59.1-180.0 -92.5 118.1 22.4 -41.8 62.5 55 55 A P + 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.611 49.4 98.8 -88.3 -17.8 24.0 -38.4 63.2 56 56 A Y + 0 0 23 70,-0.2 2,-0.3 -3,-0.1 -36,-0.2 -0.105 44.5 163.3 -74.1 164.8 22.1 -36.7 60.4 57 57 A N B -b 20 0B 12 -38,-1.8 -36,-0.8 70,-0.2 73,-0.2 -0.974 21.9-168.3-170.9 165.0 18.9 -34.5 60.5 58 58 A T - 0 0 0 -2,-0.3 73,-0.7 -38,-0.2 2,-0.3 -0.939 42.5 -95.5-155.7 150.9 16.6 -32.1 58.8 59 59 A P - 0 0 4 0, 0.0 17,-2.4 0, 0.0 2,-0.4 -0.640 31.2-153.9 -81.2 136.1 13.8 -30.1 60.4 60 60 A V E -D 75 0D 0 -2,-0.3 2,-0.3 71,-0.3 -36,-0.3 -0.866 14.7-165.9-105.5 141.0 10.3 -31.5 60.1 61 61 A F E -D 74 0D 35 13,-3.3 13,-2.5 -2,-0.4 2,-0.5 -0.867 15.7-135.7-125.1 161.2 7.5 -29.0 60.2 62 62 A A E -D 73 0D 13 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.936 17.3-173.0-125.8 106.2 3.7 -29.3 60.7 63 63 A I E -D 72 0D 57 9,-1.6 9,-2.3 -2,-0.5 2,-1.5 -0.883 17.2-148.7-102.4 114.9 1.4 -27.2 58.4 64 64 A K E -D 71 0D 79 -2,-0.6 2,-0.9 7,-0.2 7,-0.2 -0.719 20.2-167.8 -80.2 92.7 -2.3 -27.3 59.4 65 65 A K E >>> -D 70 0D 86 -2,-1.5 3,-1.6 5,-0.8 5,-0.7 -0.845 16.2-149.0 -86.9 111.0 -3.5 -26.9 55.8 66 66 A K T 345S+ 0 0 148 -2,-0.9 -1,-0.1 1,-0.3 5,-0.1 0.106 81.2 94.2 -67.5 24.4 -7.2 -26.1 56.2 67 67 A D T 345S- 0 0 137 -2,-0.3 -1,-0.3 3,-0.2 -3,-0.0 0.679 116.6 -0.0 -85.1 -28.1 -7.7 -27.9 52.8 68 68 A S T <45S- 0 0 66 -3,-1.6 -2,-0.2 2,-0.2 3,-0.1 0.071 101.4-130.8-143.2 11.0 -8.4 -31.1 54.7 69 69 A T T <5S+ 0 0 91 -4,-0.6 2,-0.3 1,-0.1 -3,-0.2 0.782 71.3 104.7 27.0 59.7 -8.0 -29.5 58.2 70 70 A K E + 0 0 24 -17,-2.4 3,-0.8 -2,-0.5 4,-0.4 -0.510 28.4 170.4 -74.9 81.7 13.0 -29.2 54.8 77 77 A F T 3> + 0 0 4 -2,-1.6 4,-4.0 1,-0.2 77,-0.2 0.403 46.9 109.4 -77.5 13.3 15.4 -30.8 52.4 78 78 A R H 3> S+ 0 0 135 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.907 84.0 38.7 -52.4 -49.5 16.9 -27.4 51.7 79 79 A E H X> S+ 0 0 51 -3,-0.8 4,-1.1 2,-0.2 3,-0.8 0.941 115.5 49.7 -74.2 -43.3 20.1 -28.4 53.5 80 80 A L H >4 S+ 0 0 0 -4,-0.4 3,-1.2 1,-0.3 4,-0.4 0.967 109.8 55.8 -58.5 -39.5 20.2 -31.9 52.3 81 81 A N H >< S+ 0 0 40 -4,-4.0 3,-0.5 1,-0.3 -1,-0.3 0.742 99.9 56.5 -64.0 -27.8 19.7 -30.5 48.8 82 82 A K H << S+ 0 0 121 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.770 112.6 44.1 -72.1 -25.9 22.7 -28.2 49.0 83 83 A R T << S+ 0 0 58 -3,-1.2 -70,-2.3 -4,-1.1 2,-0.3 0.357 93.1 102.2 -99.0 3.3 24.9 -31.2 49.7 84 84 A T B < S-A 12 0A 0 -3,-0.5 -72,-0.2 -4,-0.4 -74,-0.0 -0.660 76.2-105.3 -92.6 146.7 23.4 -33.6 47.1 85 85 A Q - 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0 0 16 1,-0.1 3,-3.5 286,-0.1 4,-0.3 -0.899 9.3-135.8-104.3 124.4 3.9 -27.0 22.9 97 97 A P G > S+ 0 0 4 0, 0.0 3,-1.4 0, 0.0 222,-0.3 0.758 104.6 61.7 -42.0 -32.3 0.3 -28.2 22.3 98 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 251,-0.1 251,-0.1 0.528 97.5 59.2 -78.6 -5.4 0.6 -27.4 18.5 99 99 A G G < S+ 0 0 1 -3,-3.5 -1,-0.3 219,-0.1 2,-0.2 0.371 82.3 108.2 -96.7 -6.9 3.4 -30.0 18.4 100 100 A L S < S- 0 0 21 -3,-1.4 219,-2.1 -4,-0.3 2,-0.3 -0.532 73.1-124.1 -72.4 135.1 1.1 -32.8 19.6 101 101 A K B -e 319 0E 42 -2,-0.2 2,-0.8 217,-0.2 219,-0.1 -0.664 30.4-106.4 -85.2 137.1 0.1 -35.3 17.0 102 102 A K - 0 0 88 217,-1.2 2,-0.4 -2,-0.3 -1,-0.1 -0.615 39.8-169.7 -69.5 105.8 -3.6 -35.7 16.5 103 103 A K - 0 0 53 -2,-0.8 89,-0.2 133,-0.2 88,-0.0 -0.876 29.5-131.7-101.0 136.0 -4.7 -39.0 18.1 104 104 A K S S+ 0 0 126 -2,-0.4 2,-0.3 1,-0.1 88,-0.2 0.720 99.5 19.2 -55.6 -21.3 -8.2 -40.4 17.5 105 105 A S E S-F 191 0F 15 86,-2.4 86,-2.3 89,-0.1 2,-0.4 -0.991 72.9-172.0-149.3 147.9 -8.3 -40.9 21.3 106 106 A V E +F 190 0F 35 -2,-0.3 2,-0.3 84,-0.3 84,-0.3 -0.997 5.2 179.9-149.5 136.9 -6.2 -39.4 24.0 107 107 A T E -F 189 0F 24 82,-3.6 82,-2.6 -2,-0.4 2,-0.4 -0.920 9.3-160.9-134.2 151.0 -5.9 -40.1 27.7 108 108 A V E -F 188 0F 9 115,-0.4 2,-0.4 -2,-0.3 80,-0.2 -0.941 8.0-158.6-140.6 115.2 -3.7 -38.3 30.3 109 109 A L E -F 187 0F 0 78,-2.3 78,-2.8 -2,-0.4 2,-1.3 -0.825 17.3-133.8-101.4 131.4 -2.9 -39.9 33.6 110 110 A D E +F 186 0F 55 -2,-0.4 3,-0.2 76,-0.2 76,-0.2 -0.693 27.6 173.7 -85.1 95.9 -1.7 -38.0 36.7 111 111 A V > + 0 0 4 -2,-1.3 3,-1.3 74,-1.2 4,-0.5 -0.017 34.0 132.7 -88.5 25.2 1.2 -40.1 37.8 112 112 A G G > + 0 0 8 73,-0.5 3,-1.4 1,-0.3 -1,-0.2 0.917 69.6 34.7 -42.4 -81.1 1.9 -37.4 40.3 113 113 A D G > S+ 0 0 97 1,-0.3 3,-1.2 -3,-0.2 -1,-0.3 0.399 91.4 98.2 -63.5 6.2 2.4 -39.4 43.6 114 114 A A G X S+ 0 0 3 -3,-1.3 3,-1.8 1,-0.3 -1,-0.3 0.858 73.1 65.1 -61.6 -34.6 4.0 -42.2 41.6 115 115 A Y G X S+ 0 0 30 -3,-1.4 3,-1.1 -4,-0.5 34,-0.5 0.766 91.2 63.0 -58.9 -28.3 7.4 -40.7 42.6 116 116 A F G < S+ 0 0 11 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.367 99.4 57.1 -81.1 5.8 6.7 -41.5 46.3 117 117 A S G < S+ 0 0 5 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.457 83.2 95.4-113.3 -3.0 6.6 -45.2 45.2 118 118 A V S < S- 0 0 3 -3,-1.1 31,-2.3 -4,-0.3 42,-0.1 -0.735 77.8-124.2 -89.1 123.9 10.2 -45.2 43.8 119 119 A P B -H 148 0G 13 0, 0.0 -111,-0.4 0, 0.0 29,-0.3 -0.317 20.3-121.8 -71.2 156.6 12.7 -46.5 46.3 120 120 A L - 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