==== 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 ASPARTYL PROTEASE 16-APR-96 1TVR . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 . AUTHOR K.DAS,J.DING,Y.HSIOU,E.ARNOLD . 985 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 8.8 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 . 2 0.2 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-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 . 97 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 22.6 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 5 1 3 2 4 1 0 1 2 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 5 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 0 PARALLEL BRIDGES PER LADDER . 9 3 6 2 2 2 0 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 . 3 8 1 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 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 0 125 0, 0.0 2,-0.5 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0-164.4 172.2 -16.1 76.4 2 2 A I - 0 0 47 212,-0.0 116,-0.2 43,-0.0 115,-0.2 -0.931 360.0-119.8-118.2 121.9 170.0 -13.3 75.2 3 3 A S - 0 0 0 114,-0.7 2,-1.9 -2,-0.5 209,-0.1 -0.402 25.8-132.7 -59.7 107.8 167.6 -13.7 72.2 4 4 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.347 47.0 158.2 -64.7 83.8 168.7 -11.0 69.6 5 5 A I - 0 0 16 -2,-1.9 2,-0.1 1,-0.0 158,-0.1 -0.821 56.4 -87.5-112.2 146.1 165.2 -9.7 68.9 6 6 A E - 0 0 175 -2,-0.3 2,-0.1 157,-0.1 157,-0.1 -0.390 56.2-129.8 -49.9 114.4 164.4 -6.2 67.5 7 7 A T - 0 0 78 -2,-0.1 113,-0.1 113,-0.1 -1,-0.1 -0.393 12.9-134.8 -70.0 155.1 164.2 -4.2 70.7 8 8 A V - 0 0 17 111,-0.3 2,-0.7 -2,-0.1 113,-0.6 -0.958 22.7-110.8-119.3 130.1 161.2 -2.0 71.5 9 9 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 601,-0.1 -0.501 35.7-178.1 -61.0 98.4 161.6 1.6 72.9 10 10 A V + 0 0 0 -2,-0.7 2,-0.3 601,-0.0 114,-0.3 -0.754 8.5 178.7 -96.9 147.8 160.4 1.9 76.5 11 11 A K - 0 0 94 -2,-0.3 74,-3.5 601,-0.1 2,-0.2 -0.884 27.2-108.3-144.7 170.4 160.6 5.3 78.2 12 12 A L B -A 84 0A 18 72,-0.3 72,-0.3 -2,-0.3 3,-0.1 -0.595 53.1 -77.7 -95.6 164.3 159.8 7.0 81.4 13 13 A K > - 0 0 51 70,-1.0 3,-2.2 -2,-0.2 2,-0.2 -0.400 63.7 -85.4 -67.1 141.9 156.9 9.4 81.8 14 14 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.257 113.9 9.0 -59.6 115.9 157.5 13.0 80.4 15 15 A G T 3 S+ 0 0 89 1,-0.4 2,-0.1 -2,-0.2 -2,-0.1 -0.100 108.8 112.8 105.2 -24.3 159.3 15.2 82.8 16 16 A M < - 0 0 90 -3,-2.2 -1,-0.4 67,-0.0 2,-0.3 -0.409 52.8-150.0 -84.0 154.4 159.9 12.3 85.1 17 17 A D - 0 0 67 -2,-0.1 -4,-0.1 -3,-0.1 -1,-0.0 -0.852 29.2 -83.2-123.4 156.0 163.3 10.7 86.0 18 18 A G - 0 0 0 -2,-0.3 -1,-0.1 1,-0.1 110,-0.1 -0.087 59.2 -69.9 -60.1 159.9 164.3 7.1 86.9 19 19 A P - 0 0 0 0, 0.0 38,-1.8 0, 0.0 -1,-0.1 0.185 30.3-178.0 -47.6 152.1 164.1 5.5 90.4 20 20 A K B +b 57 0B 104 36,-0.3 2,-1.5 2,-0.1 38,-0.3 -0.120 26.2 153.7-143.7 26.3 166.3 6.3 93.4 21 21 A V - 0 0 37 36,-1.3 2,-0.1 38,-0.0 58,-0.0 -0.517 28.4-165.6 -61.9 88.8 164.7 3.7 95.6 22 22 A K - 0 0 161 -2,-1.5 2,-0.4 35,-0.2 -2,-0.1 -0.455 12.7-128.7 -74.3 163.7 167.7 3.3 97.8 23 23 A Q - 0 0 27 35,-0.1 3,-0.1 -2,-0.1 -1,-0.0 -0.930 11.0-110.2-126.2 145.8 167.6 0.2 100.0 24 24 A W - 0 0 217 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.526 63.6 -85.3 -66.2 118.8 168.1 -0.7 103.6 25 25 A P - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.080 55.3-121.8 -31.3 121.6 171.4 -2.7 103.8 26 26 A L - 0 0 19 1,-0.1 2,-0.3 -3,-0.1 5,-0.2 -0.144 29.9 -76.5 -75.2 164.6 170.8 -6.4 103.0 27 27 A T >> - 0 0 67 1,-0.1 3,-2.4 3,-0.1 4,-0.8 -0.419 33.7-146.4 -59.2 115.8 171.4 -9.6 104.9 28 28 A E H >>>S+ 0 0 76 -2,-0.3 4,-2.4 1,-0.3 3,-1.7 0.934 104.2 54.1 -52.4 -48.4 175.1 -10.5 104.6 29 29 A E H 345S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.640 122.3 32.0 -57.7 -18.3 174.2 -14.2 104.6 30 30 A K H <45S+ 0 0 28 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.3 0.279 111.0 65.0-121.4 4.8 172.0 -13.1 101.6 31 31 A I H XX5S+ 0 0 6 -3,-1.7 4,-1.4 -4,-0.8 3,-1.2 0.835 106.7 41.5 -92.2 -44.8 174.2 -10.3 100.3 32 32 A K H >X5S+ 0 0 168 -4,-2.4 4,-2.3 1,-0.3 3,-1.6 0.984 111.5 59.5 -62.6 -47.6 177.0 -12.6 99.3 33 33 A A H 34 S+ 0 0 3 -3,-1.2 4,-1.9 2,-0.1 3,-0.9 0.865 108.8 43.2 -80.9 -39.7 173.3 -11.8 95.9 35 35 A V H S+ 0 0 49 -3,-0.9 4,-1.5 -5,-0.3 -1,-0.2 0.490 119.6 52.8-134.6 -31.0 173.3 -15.7 91.9 38 38 A C H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.886 103.4 57.5 -73.9 -47.5 173.8 -12.4 90.1 39 39 A T H X S+ 0 0 48 -4,-2.4 4,-3.0 2,-0.3 5,-0.3 0.900 106.9 50.6 -51.5 -38.7 177.3 -13.3 88.9 40 40 A E H > S+ 0 0 104 -5,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.963 114.4 42.7 -64.9 -45.9 175.6 -16.3 87.2 41 41 A M H <>S+ 0 0 39 -4,-1.5 5,-2.2 1,-0.2 6,-1.1 0.787 115.7 51.1 -69.0 -26.4 173.0 -13.8 85.7 42 42 A E H <5S+ 0 0 62 -4,-3.2 3,-0.4 4,-0.2 -2,-0.2 0.859 113.0 42.0 -79.0 -39.1 175.9 -11.4 84.9 43 43 A K H <5S+ 0 0 145 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.730 107.8 60.3 -78.2 -24.0 178.0 -14.1 83.2 44 44 A E T <5S- 0 0 74 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.500 119.9-125.2 -75.8 -4.8 174.7 -15.2 81.6 45 45 A G T 5S+ 0 0 24 -3,-0.4 -3,-0.2 -6,-0.2 -2,-0.1 0.432 84.0 112.2 77.1 4.6 175.1 -11.6 80.4 46 46 A K S - 0 0 162 5,-0.5 3,-2.3 -2,-0.3 5,-0.1 -0.677 39.6 -23.5-138.5-175.0 160.4 -20.0 97.4 66 66 A K T 3 S- 0 0 64 1,-0.3 3,-0.2 -2,-0.2 -1,-0.2 -0.004 125.0 -19.0 -40.7 118.9 158.4 -23.2 96.8 67 67 A D T 3 S- 0 0 155 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.789 89.6-169.1 45.6 41.6 160.6 -26.2 97.6 68 68 A S < + 0 0 48 -3,-2.3 -1,-0.2 1,-0.2 3,-0.1 -0.444 27.3 174.5 -65.5 109.8 163.6 -24.0 97.3 69 69 A T S S+ 0 0 139 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.233 77.5 41.4 -94.9 11.4 166.8 -26.1 97.2 70 70 A K S S- 0 0 147 -5,-0.1 -5,-0.5 0, 0.0 2,-0.3 -0.986 92.2 -98.3-155.9 155.3 168.4 -22.7 96.5 71 71 A W - 0 0 26 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.2 -0.554 39.3-139.4 -80.1 135.6 168.3 -19.0 97.6 72 72 A R E -E 63 0D 41 -9,-2.5 -9,-2.9 -2,-0.3 2,-0.2 -0.713 0.8-131.6-107.6 154.4 166.3 -16.5 95.4 73 73 A K E -E 62 0D 37 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.613 21.1-172.9 -94.8 151.1 166.8 -12.9 94.2 74 74 A L E +E 61 0D 53 -13,-2.1 -13,-1.9 -2,-0.2 2,-0.1 -0.945 20.4 152.1-153.4 125.5 164.2 -10.1 94.4 75 75 A V - 0 0 11 -2,-0.3 2,-0.5 -15,-0.3 77,-0.2 -0.588 18.4-170.0-151.3 81.4 164.0 -6.5 93.1 76 76 A D - 0 0 82 -17,-0.2 2,-0.6 -2,-0.1 3,-0.3 -0.647 8.0-160.9 -79.7 121.9 160.5 -5.1 92.4 77 77 A F > + 0 0 1 75,-1.0 4,-2.9 -2,-0.5 77,-0.2 -0.408 41.0 139.6 -93.7 51.1 160.7 -1.9 90.6 78 78 A R H > S+ 0 0 123 -2,-0.6 4,-0.7 2,-0.2 -1,-0.2 0.579 74.2 53.9 -75.0 -2.0 157.2 -0.8 91.5 79 79 A E H >> S+ 0 0 76 -3,-0.3 3,-1.6 2,-0.2 4,-1.0 0.889 114.3 37.5 -82.9 -72.1 158.7 2.7 92.0 80 80 A L H >4 S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 -2,-0.2 0.797 108.9 68.6 -44.8 -38.1 160.3 2.9 88.6 81 81 A N H >< S+ 0 0 1 -4,-2.9 3,-1.4 1,-0.3 -1,-0.3 0.912 102.2 42.0 -50.4 -49.0 157.2 1.1 87.3 82 82 A K H << S+ 0 0 127 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.653 114.2 53.1 -74.0 -15.8 155.0 4.1 87.9 83 83 A R T << S+ 0 0 55 -4,-1.0 -70,-1.0 -3,-0.7 2,-0.4 0.262 96.6 90.6 -96.8 7.0 157.8 6.3 86.5 84 84 A T B < S-A 12 0A 0 -3,-1.4 -72,-0.3 -72,-0.3 70,-0.0 -0.870 89.3-101.2-104.5 137.2 157.8 4.0 83.4 85 85 A Q - 0 0 25 -74,-3.5 2,-0.4 -2,-0.4 -1,-0.1 0.141 43.5 -95.1 -49.5 170.5 155.6 4.9 80.4 86 86 A D - 0 0 55 526,-0.1 -1,-0.1 -74,-0.1 2,-0.1 -0.794 43.6-158.0 -96.5 136.2 152.2 3.0 79.9 87 87 A F - 0 0 21 -2,-0.4 2,-0.2 1,-0.1 525,-0.1 -0.280 31.4 -70.7-101.2-172.6 152.2 -0.1 77.5 88 88 A W - 0 0 59 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.572 67.1 -89.2 -79.2 141.1 149.8 -2.0 75.5 89 89 A E - 0 0 80 -2,-0.2 3,-0.3 1,-0.1 -1,-0.1 -0.392 33.8-133.2 -56.1 121.9 147.4 -4.0 77.6 90 90 A V S S- 0 0 71 1,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.889 76.2 -36.8 -36.4 -68.1 149.0 -7.4 78.2 91 91 A Q - 0 0 79 3,-0.0 2,-0.6 -3,-0.0 -1,-0.2 -0.689 53.0-177.9-169.3 111.0 145.8 -9.1 77.4 92 92 A L + 0 0 110 -3,-0.3 2,-0.1 -2,-0.2 604,-0.0 -0.976 64.8 60.6-110.2 121.3 142.3 -8.3 78.1 93 93 A G - 0 0 16 -2,-0.6 602,-0.1 602,-0.0 0, 0.0 -0.097 65.5-142.5 129.3 130.4 140.2 -11.2 76.8 94 94 A I - 0 0 62 -2,-0.1 2,-2.7 136,-0.0 603,-0.1 -0.981 24.5-121.0-121.6 128.7 140.3 -14.8 77.7 95 95 A P - 0 0 6 0, 0.0 5,-0.1 0, 0.0 601,-0.1 -0.457 36.0-147.5 -67.0 80.2 139.8 -17.5 75.1 96 96 A H > - 0 0 22 -2,-2.7 3,-1.8 1,-0.1 4,-0.5 -0.312 15.9-122.7 -51.3 122.5 136.7 -18.9 76.8 97 97 A P G > S+ 0 0 0 0, 0.0 3,-2.7 0, 0.0 222,-0.3 0.846 100.0 69.3 -34.1 -64.2 136.8 -22.7 76.1 98 98 A A G 3 S+ 0 0 0 1,-0.3 221,-0.1 251,-0.1 -2,-0.1 0.577 97.0 56.9 -37.1 -22.4 133.4 -23.2 74.4 99 99 A G G < S+ 0 0 5 -3,-1.8 -1,-0.3 219,-0.1 -3,-0.1 0.846 84.9 103.5 -80.0 -36.2 134.7 -21.3 71.4 100 100 A L < - 0 0 44 -3,-2.7 219,-2.4 -4,-0.5 2,-0.2 -0.093 62.4-142.5 -49.8 137.7 137.7 -23.5 70.8 101 101 A K B -f 319 0E 99 217,-0.2 2,-0.4 1,-0.0 219,-0.2 -0.665 33.4 -89.7 -97.9 159.4 137.7 -26.0 67.9 102 102 A K - 0 0 109 217,-0.6 2,-0.4 -2,-0.2 135,-0.1 -0.551 38.0-176.5 -78.5 122.7 139.3 -29.5 68.2 103 103 A K - 0 0 69 -2,-0.4 89,-0.2 133,-0.1 88,-0.1 -0.982 34.6-120.9-113.0 132.2 143.0 -29.8 67.3 104 104 A K S S+ 0 0 127 -2,-0.4 2,-0.3 86,-0.1 88,-0.2 0.609 88.9 6.2 -50.3 -23.5 144.2 -33.5 67.6 105 105 A S - 0 0 19 86,-1.7 86,-0.3 89,-0.1 2,-0.3 -0.960 61.1-170.5-160.6 145.7 146.9 -32.9 70.1 106 106 A V - 0 0 52 -2,-0.3 84,-0.2 84,-0.2 2,-0.1 -0.849 5.4-168.4-146.8 107.1 148.0 -29.9 72.0 107 107 A T E -G 189 0F 5 82,-0.9 82,-1.7 -2,-0.3 2,-0.4 -0.357 13.4-142.4 -84.2 172.4 151.1 -29.7 74.0 108 108 A V E -G 188 0F 14 114,-0.4 2,-0.4 80,-0.2 80,-0.2 -0.983 14.5-156.1-137.8 134.1 151.9 -26.9 76.5 109 109 A L E -G 187 0F 1 78,-1.6 78,-1.4 -2,-0.4 2,-0.3 -0.941 16.4-128.4-118.8 141.3 155.3 -25.5 76.9 110 110 A D E -G 186 0F 79 -2,-0.4 108,-0.4 76,-0.2 76,-0.2 -0.649 14.1-152.1 -79.4 143.0 156.9 -23.8 79.8 111 111 A V > - 0 0 1 74,-2.7 3,-2.4 1,-0.3 4,-0.1 -0.326 27.3-157.0-111.5 43.1 158.5 -20.6 78.4 112 112 A G T 3 - 0 0 13 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.368 59.6 -28.0 18.4-129.0 161.0 -20.7 81.2 113 113 A D T >> S+ 0 0 112 1,-0.2 3,-2.6 102,-0.1 4,-0.6 -0.241 80.9 153.5-104.3 44.2 162.6 -17.4 82.1 114 114 A A H <> + 0 0 3 -3,-2.4 4,-1.1 1,-0.3 -1,-0.2 0.500 58.7 78.7 -54.5 -5.4 162.0 -16.2 78.6 115 115 A Y H 34 S+ 0 0 31 1,-0.2 -1,-0.3 2,-0.2 34,-0.2 0.896 95.4 44.3 -69.7 -37.6 162.0 -12.7 80.1 116 116 A F H <4 S+ 0 0 13 -3,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.643 101.9 64.5 -82.7 -15.5 165.7 -12.7 80.3 117 117 A S H < S+ 0 0 8 -4,-0.6 -114,-0.7 -115,-0.2 -1,-0.2 0.947 97.1 69.7 -70.1 -41.3 166.3 -14.1 76.9 118 118 A V S < S- 0 0 3 -4,-1.1 31,-0.5 -116,-0.2 2,-0.2 -0.402 84.6-131.9 -75.1 146.3 164.7 -10.8 75.6 119 119 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 29,-0.3 -0.556 6.8-122.3 -98.0 170.6 166.6 -7.5 76.0 120 120 A L - 0 0 1 27,-2.9 5,-0.1 -2,-0.2 -113,-0.1 -0.924 44.4 -82.2-120.0 129.1 165.9 -4.0 77.2 121 121 A D - 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