==== 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 16-MAR-96 1RT2 . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.REN,R.ESNOUF,A.HOPKINS,B.WILLCOX,Y.JONES,C.ROSS, . 945 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 632 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 14.7 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 . 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 . 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 . 82 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 1 1 1 0 1 1 5 0 1 2 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 7 4 5 0 4 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 . 4 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 0 134 0, 0.0 2,-0.2 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 140.1 4.9 -52.0 50.1 2 2 A I - 0 0 52 43,-0.1 116,-0.2 1,-0.1 115,-0.1 -0.589 360.0 -46.8-130.5-168.7 6.9 -50.3 47.4 3 3 A S - 0 0 6 114,-2.5 2,-1.4 -2,-0.2 210,-0.2 -0.461 31.3-149.1 -74.7 131.9 8.8 -51.0 44.1 4 4 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.575 55.4 127.4 -94.6 68.1 11.4 -53.8 43.8 5 5 A I S S- 0 0 32 -2,-1.4 2,-0.2 208,-0.0 158,-0.0 -0.809 70.2 -79.1-121.5 166.3 13.5 -51.9 41.3 6 6 A E - 0 0 156 -2,-0.3 2,-0.3 1,-0.1 115,-0.1 -0.460 46.5-128.8 -67.0 128.5 17.2 -51.1 41.1 7 7 A T - 0 0 12 -2,-0.2 113,-0.1 113,-0.1 -1,-0.1 -0.644 21.3-119.9 -80.4 133.2 18.0 -48.1 43.3 8 8 A V - 0 0 20 -2,-0.3 2,-0.8 111,-0.3 113,-0.5 -0.473 31.6-113.2 -70.5 140.3 20.0 -45.3 41.5 9 9 A P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.734 38.5-170.7 -82.8 113.3 23.3 -44.8 43.2 10 10 A V - 0 0 7 -2,-0.8 2,-0.3 111,-0.1 114,-0.1 -0.782 7.7-172.8-104.8 145.7 23.4 -41.3 44.8 11 11 A K - 0 0 149 -2,-0.3 74,-2.2 581,-0.1 2,-0.2 -0.938 34.1-101.0-132.7 149.8 26.4 -39.6 46.3 12 12 A L B S-A 84 0A 19 -2,-0.3 3,-0.5 72,-0.2 72,-0.3 -0.550 71.7 -63.1 -71.2 142.4 26.5 -36.3 48.3 13 13 A K S S- 0 0 69 70,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.005 81.9 -86.9 -30.0 102.2 27.7 -33.4 46.1 14 14 A P S S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 70,-0.1 -0.007 115.8 28.5 -23.0 81.9 31.2 -34.9 45.5 15 15 A G S S+ 0 0 72 -3,-0.5 2,-0.2 -2,-0.1 -2,-0.1 0.716 99.4 69.6 129.2 36.5 32.9 -33.6 48.6 16 16 A M - 0 0 110 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.525 63.4-101.8-146.5-149.5 30.8 -32.9 51.8 17 17 A D - 0 0 71 -2,-0.2 -4,-0.1 110,-0.0 0, 0.0 -0.982 39.9 -84.4-150.0 156.3 28.7 -34.5 54.6 18 18 A G - 0 0 3 -2,-0.3 110,-0.1 1,-0.1 62,-0.1 -0.200 51.7-102.1 -61.0 151.7 25.1 -35.0 55.5 19 19 A P - 0 0 4 0, 0.0 38,-2.2 0, 0.0 2,-0.3 -0.176 35.6-178.4 -72.3 168.0 23.1 -32.2 57.2 20 20 A K + 0 0 101 36,-0.3 2,-0.3 2,-0.0 38,-0.1 -0.874 7.7 161.1-167.4 132.6 22.2 -32.0 60.9 21 21 A V - 0 0 75 -2,-0.3 2,-0.6 3,-0.0 3,-0.0 -0.985 48.0 -91.5-154.8 154.6 20.1 -29.4 62.8 22 22 A K - 0 0 151 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.651 55.8-111.2 -73.4 116.4 18.3 -29.1 66.1 23 23 A Q - 0 0 20 -2,-0.6 -1,-0.1 1,-0.1 3,-0.1 -0.303 32.9-108.9 -51.2 121.4 14.7 -30.1 65.3 24 24 A W - 0 0 165 36,-0.2 -1,-0.1 1,-0.1 36,-0.1 -0.378 41.8-111.2 -56.8 114.0 12.5 -27.0 65.5 25 25 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.229 38.9-162.1 -52.4 136.8 10.3 -27.6 68.6 26 26 A L - 0 0 27 108,-0.1 35,-0.0 1,-0.1 -3,-0.0 -0.819 21.4 -97.3-121.1 161.7 6.7 -28.3 67.8 27 27 A T > - 0 0 78 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.242 36.2-110.9 -72.7 161.6 3.4 -28.2 69.9 28 28 A E H > S+ 0 0 154 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.833 119.3 59.6 -62.3 -31.6 2.0 -31.4 71.4 29 29 A E H > S+ 0 0 123 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.941 110.8 38.7 -61.1 -50.5 -0.8 -31.1 68.8 30 30 A K H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.993 113.6 53.5 -63.1 -62.5 1.6 -31.3 65.9 31 31 A I H X S+ 0 0 16 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.811 105.6 56.7 -39.8 -45.9 3.9 -33.9 67.4 32 32 A K H >X S+ 0 0 137 -4,-2.1 4,-1.4 2,-0.2 3,-1.3 0.975 108.7 43.7 -53.7 -61.2 0.9 -36.2 68.0 33 33 A A H 3X S+ 0 0 7 -4,-1.5 4,-2.0 1,-0.3 3,-0.3 0.900 108.0 63.0 -52.9 -41.4 -0.2 -36.2 64.3 34 34 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.796 101.2 49.2 -56.9 -33.4 3.4 -36.6 63.3 35 35 A V H X S+ 0 0 124 -4,-1.4 4,-2.0 -3,-0.3 3,-0.6 0.983 113.4 43.7 -52.2 -60.7 0.5 -41.4 63.4 37 37 A I H >X S+ 0 0 39 -4,-2.0 4,-2.4 1,-0.3 3,-0.5 0.920 111.8 50.1 -49.0 -63.7 1.9 -40.5 60.0 38 38 A C H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.795 110.9 50.4 -51.4 -33.2 5.4 -41.8 60.5 39 39 A T H S+ 0 0 6 -4,-2.4 5,-2.6 1,-0.2 4,-0.8 0.853 107.0 61.2 -54.1 -43.6 4.7 -44.9 56.5 42 42 A E H ><5S+ 0 0 32 -4,-1.9 3,-0.5 -5,-0.3 -1,-0.2 0.926 110.3 40.3 -52.6 -45.5 6.9 -47.1 58.6 43 43 A K H 3<5S+ 0 0 148 -4,-2.1 -2,-0.2 -3,-0.4 -1,-0.2 0.863 107.2 59.2 -73.5 -37.2 4.6 -50.0 57.8 44 44 A E H 3<5S- 0 0 69 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.659 120.3-117.8 -63.6 -11.7 4.1 -49.1 54.2 45 45 A G T <<5S+ 0 0 25 -4,-0.8 -3,-0.2 -3,-0.5 -2,-0.1 0.540 82.1 119.0 85.8 14.5 7.9 -49.5 54.3 46 46 A K S - 0 0 39 -2,-0.3 3,-1.0 1,-0.1 2,-0.8 -0.619 39.7-107.0 -93.2 155.7 19.6 -46.0 65.9 52 52 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.174 100.4 90.5 -63.9 17.2 21.6 -43.1 67.6 53 53 A E T 3 + 0 0 183 -2,-0.8 3,-0.1 1,-0.0 -2,-0.0 0.317 61.7 102.2 -95.4 8.2 24.6 -43.8 65.3 54 54 A N < - 0 0 21 -3,-1.0 -4,-0.0 1,-0.2 -1,-0.0 -0.799 46.0-179.4 -97.1 103.5 23.1 -41.3 62.8 55 55 A P + 0 0 69 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.707 62.4 84.0 -71.2 -17.5 25.0 -38.0 63.0 56 56 A Y + 0 0 31 70,-0.1 -36,-0.3 -3,-0.1 2,-0.3 -0.430 52.1 163.1 -88.8 158.8 22.7 -36.6 60.3 57 57 A N - 0 0 6 -38,-2.2 73,-0.3 70,-0.2 72,-0.1 -0.876 20.2-155.2-173.6 142.0 19.2 -35.1 60.6 58 58 A T B -c 130 0B 0 71,-1.4 73,-0.7 -2,-0.3 2,-0.3 -0.938 33.8-100.7-125.8 143.6 16.7 -32.9 58.7 59 59 A P - 0 0 11 0, 0.0 17,-3.2 0, 0.0 2,-0.3 -0.464 31.8-157.4 -67.7 121.7 13.9 -30.7 60.1 60 60 A V E -E 75 0C 0 71,-0.4 2,-0.3 -2,-0.3 15,-0.2 -0.682 11.7-169.5 -94.4 150.5 10.4 -32.2 60.0 61 61 A F E -E 74 0C 49 13,-1.6 13,-2.2 -2,-0.3 2,-0.6 -0.998 18.5-141.9-144.3 144.0 7.4 -29.8 60.1 62 62 A A E -E 73 0C 1 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.931 21.5-175.9-107.9 115.8 3.6 -30.3 60.5 63 63 A I E -E 72 0C 74 9,-1.5 9,-2.1 -2,-0.6 2,-1.1 -0.955 31.2-122.2-115.1 130.5 1.5 -28.0 58.3 64 64 A K E -E 71 0C 95 -2,-0.5 2,-0.2 7,-0.2 7,-0.2 -0.621 35.5-126.5 -70.7 100.3 -2.3 -27.9 58.5 65 65 A K > - 0 0 62 5,-1.6 4,-2.2 -2,-1.1 2,-1.9 -0.340 10.0-145.1 -52.4 111.4 -3.1 -28.8 54.9 66 66 A K T 4 S+ 0 0 172 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 -0.168 94.8 53.0 -75.0 45.6 -5.4 -26.0 53.9 67 67 A D T 4 S+ 0 0 117 -2,-1.9 -1,-0.2 3,-0.2 -2,-0.1 0.421 121.4 19.3-141.4 -54.4 -7.2 -28.6 51.8 68 68 A S T 4 S- 0 0 70 -3,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.467 92.0-134.7-102.2 -8.2 -8.1 -31.6 54.0 69 69 A T < + 0 0 96 -4,-2.2 2,-0.2 1,-0.2 -3,-0.1 0.473 67.8 112.0 66.1 7.5 -7.8 -29.6 57.3 70 70 A K S S- 0 0 113 -5,-0.2 -5,-1.6 -7,-0.1 2,-0.5 -0.607 80.8 -84.1-104.2 164.9 -5.8 -32.3 59.0 71 71 A W E -E 64 0C 63 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.601 48.5-169.6 -75.3 120.9 -2.1 -32.3 60.1 72 72 A R E -E 63 0C 90 -9,-2.1 -9,-1.5 -2,-0.5 2,-0.3 -0.711 19.3-117.3-107.6 157.4 0.3 -33.2 57.2 73 73 A K E +E 62 0C 28 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.739 28.4 177.2 -96.2 144.3 4.0 -34.0 57.3 74 74 A L E -E 61 0C 81 -13,-2.2 -13,-1.6 -2,-0.3 2,-0.5 -0.900 14.0-156.0-148.3 112.1 6.6 -31.9 55.5 75 75 A V E -E 60 0C 15 -2,-0.3 2,-1.1 76,-0.3 -15,-0.2 -0.798 16.7-135.9 -91.1 130.5 10.3 -32.5 55.7 76 76 A D + 0 0 39 -17,-3.2 3,-0.4 -2,-0.5 4,-0.2 -0.733 28.4 171.7 -88.8 99.6 12.6 -29.5 55.0 77 77 A F > + 0 0 4 -2,-1.1 4,-3.4 1,-0.2 5,-0.3 0.314 39.1 117.1 -91.5 9.9 15.3 -30.8 52.8 78 78 A R H > S+ 0 0 175 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 82.7 43.5 -44.3 -44.3 16.9 -27.4 51.9 79 79 A E H 4 S+ 0 0 70 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.1 0.968 114.9 45.3 -69.2 -53.7 20.2 -28.5 53.6 80 80 A L H >4 S+ 0 0 0 -4,-0.2 3,-1.4 1,-0.2 -2,-0.2 0.924 112.9 54.7 -53.7 -45.0 20.4 -32.0 52.2 81 81 A N H >< S+ 0 0 46 -4,-3.4 3,-1.5 1,-0.3 2,-0.3 0.916 99.6 60.0 -56.3 -43.8 19.5 -30.5 48.9 82 82 A K T 3< S+ 0 0 122 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.131 115.2 34.8 -76.6 27.3 22.4 -28.1 49.1 83 83 A R T < S+ 0 0 34 -3,-1.4 -70,-1.3 -2,-0.3 2,-0.3 0.188 89.1 109.8-160.7 15.9 24.9 -30.9 49.4 84 84 A T B < S-A 12 0A 0 -3,-1.5 -72,-0.2 -72,-0.3 3,-0.1 -0.776 79.3 -94.3-100.1 143.8 23.5 -33.7 47.1 85 85 A Q - 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