==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 17-AUG-98 1BQM . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.HSIOU,K.DAS,J.DING,E.ARNOLD . 986 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 95 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 20.9 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 4 1 0 4 0 0 1 2 1 1 2 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 5 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 0 PARALLEL BRIDGES PER LADDER . 9 3 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 5 3 1 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 63 0, 0.0 44,-0.1 0, 0.0 214,-0.1 0.000 360.0 360.0 360.0 70.7 170.9 -19.2 78.3 2 2 A I - 0 0 100 42,-0.6 116,-0.2 1,-0.1 115,-0.1 0.099 360.0-132.5 -40.2 141.0 170.3 -15.9 76.6 3 3 A S - 0 0 12 114,-2.1 210,-0.2 2,-0.1 -1,-0.1 -0.640 6.7-135.4 -97.5 153.5 168.3 -16.0 73.3 4 4 A P + 0 0 92 0, 0.0 2,-0.3 0, 0.0 209,-0.1 -0.268 60.8 133.9-100.7 40.9 169.5 -14.1 70.1 5 5 A I S S- 0 0 10 207,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.696 71.5 -88.5 -94.8 148.5 165.9 -12.8 69.4 6 6 A E - 0 0 120 -2,-0.3 -1,-0.1 157,-0.1 2,-0.0 -0.357 53.2-140.2 -55.2 110.6 165.0 -9.2 68.5 7 7 A T - 0 0 52 -2,-0.3 113,-0.1 113,-0.1 -1,-0.1 -0.257 9.9-115.2 -74.3 162.3 164.6 -7.6 71.8 8 8 A V - 0 0 9 111,-0.4 113,-0.9 113,-0.0 2,-0.6 -0.868 19.2-120.3-107.9 139.0 161.8 -5.1 72.7 9 9 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 111,-0.0 -0.641 31.3-172.0 -76.6 107.2 162.2 -1.3 73.7 10 10 A V - 0 0 16 -2,-0.6 2,-0.3 75,-0.0 113,-0.1 -0.772 4.4-179.8-104.9 146.8 160.9 -0.6 77.2 11 11 A K - 0 0 159 -2,-0.3 74,-3.1 75,-0.0 2,-0.4 -0.898 25.8-119.0-139.7 164.8 160.5 3.0 78.7 12 12 A L B -A 84 0A 24 72,-0.3 72,-0.3 -2,-0.3 3,-0.1 -0.865 50.5 -83.8-106.0 144.7 159.3 4.6 81.9 13 13 A K > - 0 0 72 70,-1.7 3,-2.0 -2,-0.4 -1,-0.1 -0.145 60.1 -93.5 -48.9 133.7 156.4 7.0 81.9 14 14 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.158 113.2 35.5 -51.1 140.4 157.6 10.5 81.0 15 15 A G T 3 S+ 0 0 92 1,-0.4 -2,-0.1 -3,-0.1 2,-0.1 -0.018 106.2 95.6 100.3 -24.9 158.5 12.7 83.9 16 16 A M < - 0 0 103 -3,-2.0 -1,-0.4 67,-0.1 2,-0.3 -0.275 53.4-159.9 -97.2 175.5 159.8 9.6 85.8 17 17 A D - 0 0 58 -3,-0.1 -4,-0.1 -2,-0.1 66,-0.1 -0.961 37.6 -79.5-147.6 158.9 163.0 7.9 86.6 18 18 A G - 0 0 2 -2,-0.3 62,-0.1 1,-0.1 110,-0.1 -0.149 56.6 -93.5 -59.8 159.2 164.0 4.4 87.7 19 19 A P - 0 0 2 0, 0.0 38,-0.8 0, 0.0 2,-0.3 -0.145 34.4-164.0 -69.4 164.0 163.7 3.5 91.4 20 20 A K + 0 0 131 36,-0.2 2,-0.2 2,-0.0 36,-0.1 -0.937 23.9 137.3-155.3 123.5 166.5 3.7 93.9 21 21 A V - 0 0 64 -2,-0.3 2,-0.2 37,-0.0 37,-0.0 -0.520 39.3-134.6-137.6-148.8 166.7 2.1 97.3 22 22 A K - 0 0 158 -2,-0.2 2,-0.1 35,-0.1 35,-0.1 -0.619 33.9-124.8 179.6 119.3 169.2 0.2 99.5 23 23 A Q - 0 0 30 108,-0.3 3,-0.1 35,-0.3 -2,-0.0 -0.394 31.8 -77.3 -86.1 165.5 168.1 -3.0 101.2 24 24 A W - 0 0 82 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.339 60.9-112.4 -56.8 96.6 168.0 -4.3 104.7 25 25 A P - 0 0 110 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.022 37.8-151.1 -38.8 117.9 171.6 -5.3 105.2 26 26 A L - 0 0 37 107,-0.3 2,-0.2 -3,-0.1 -3,-0.0 -0.463 5.9-121.3 -92.1 167.8 171.8 -9.1 105.5 27 27 A T >> - 0 0 35 -2,-0.2 4,-1.5 109,-0.0 3,-1.0 -0.704 40.1 -69.1-113.4 165.8 174.2 -11.3 107.4 28 28 A E H >> S+ 0 0 106 1,-0.2 4,-1.6 -2,-0.2 3,-0.5 0.580 122.2 37.3 -8.2 -81.8 176.6 -14.2 106.7 29 29 A E H 3> S+ 0 0 106 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.853 115.5 51.4 -55.0 -44.8 174.4 -17.1 105.7 30 30 A K H <4 S+ 0 0 97 -3,-1.0 4,-0.3 1,-0.3 -1,-0.2 0.850 111.7 47.9 -63.1 -36.6 171.7 -15.2 103.8 31 31 A I H XX S+ 0 0 14 -4,-1.5 4,-2.7 -3,-0.5 3,-0.6 0.772 106.6 57.7 -73.7 -27.7 174.4 -13.5 101.7 32 32 A K H 3X S+ 0 0 158 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.2 0.737 102.5 55.2 -72.4 -20.5 176.0 -16.9 101.1 33 33 A A H 3< S+ 0 0 31 -4,-1.0 4,-0.4 -5,-0.2 -1,-0.2 0.614 115.0 39.3 -86.3 -10.1 172.6 -17.9 99.7 34 34 A L H <> S+ 0 0 8 -3,-0.6 4,-2.8 -4,-0.3 5,-0.2 0.773 109.2 54.9-106.1 -38.0 172.8 -15.0 97.2 35 35 A V H X S+ 0 0 62 -4,-2.7 4,-2.1 2,-0.2 -3,-0.2 0.886 108.2 52.5 -66.0 -36.3 176.4 -15.0 96.2 36 36 A E H < S+ 0 0 135 -4,-0.9 -1,-0.2 -5,-0.2 4,-0.2 0.975 116.0 37.5 -64.1 -52.0 176.2 -18.6 95.2 37 37 A I H >4 S+ 0 0 37 -4,-0.4 3,-1.2 1,-0.2 4,-0.3 0.948 118.7 48.1 -66.7 -48.8 173.2 -18.2 93.0 38 38 A C H >X S+ 0 0 2 -4,-2.8 4,-1.3 1,-0.2 3,-0.8 0.843 106.3 54.0 -63.0 -39.6 174.1 -14.8 91.5 39 39 A T T 3< S+ 0 0 37 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.307 115.8 40.8 -81.2 8.6 177.8 -15.5 90.5 40 40 A E T <4 S+ 0 0 95 -3,-1.2 4,-0.4 -4,-0.2 -1,-0.2 0.217 108.6 60.3-130.1 0.1 176.7 -18.5 88.5 41 41 A M T <4>S+ 0 0 28 -3,-0.8 5,-2.7 -4,-0.3 6,-0.7 0.681 105.4 49.4 -96.2 -26.0 173.7 -16.7 87.1 42 42 A E T ><5S+ 0 0 56 -4,-1.3 3,-1.0 3,-0.2 -3,-0.1 0.748 104.7 58.3 -79.4 -31.0 176.2 -14.2 85.7 43 43 A K T 3 5S+ 0 0 142 1,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 0.833 107.0 47.1 -68.4 -33.8 178.1 -17.1 84.2 44 44 A E T 3 5S- 0 0 83 -4,-0.4 -42,-0.6 -43,-0.0 -1,-0.3 0.304 119.8-121.0 -90.9 10.9 175.0 -18.1 82.4 45 45 A G T < 5S+ 0 0 22 -3,-1.0 -3,-0.2 -44,-0.1 -2,-0.1 0.607 77.1 123.5 62.7 20.6 174.8 -14.4 81.4 46 46 A K S + 0 0 24 -2,-0.6 3,-0.6 91,-0.1 -1,-0.2 0.862 45.7 22.6 -78.5-104.6 179.7 -1.5 90.0 52 52 A P T 3 S+ 0 0 121 0, 0.0 89,-0.0 0, 0.0 91,-0.0 0.053 102.1 43.5 -62.0 172.8 180.1 2.4 90.0 53 53 A E T 3 S+ 0 0 187 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.359 87.1 98.8 70.7 -4.0 178.3 5.1 87.9 54 54 A N < - 0 0 20 -3,-0.6 -1,-0.1 1,-0.1 73,-0.0 -0.968 50.4-172.9-115.0 116.8 174.8 3.5 88.3 55 55 A P + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.623 51.7 87.3 -83.9 -13.7 172.8 5.3 91.0 56 56 A Y + 0 0 36 70,-0.1 2,-0.3 -36,-0.1 -36,-0.2 0.323 47.7 173.0 -76.2-162.5 169.7 3.0 91.2 57 57 A N - 0 0 5 -38,-0.8 73,-0.2 72,-0.2 72,-0.1 -0.952 16.9-159.0 172.8 175.6 168.8 -0.2 93.2 58 58 A T - 0 0 6 -2,-0.3 73,-0.8 73,-0.1 -35,-0.3 -0.925 29.9-103.0-170.0 152.6 166.2 -2.9 94.3 59 59 A P - 0 0 11 0, 0.0 17,-0.6 0, 0.0 2,-0.5 -0.605 20.6-140.7 -89.0 159.9 165.9 -5.4 97.2 60 60 A V E -C 75 0C 11 -2,-0.2 2,-0.5 15,-0.2 15,-0.2 -0.952 4.7-159.5-123.2 116.3 166.4 -9.2 97.2 61 61 A F E -C 74 0C 128 13,-2.5 13,-2.5 -2,-0.5 2,-0.5 -0.790 12.0-149.6 -90.4 127.6 164.2 -11.6 99.2 62 62 A A + 0 0 19 -2,-0.5 2,-0.9 11,-0.2 10,-0.2 -0.319 32.2 175.1 -94.8 54.1 166.2 -14.8 99.8 63 63 A I - 0 0 37 -2,-0.5 2,-2.4 11,-0.2 -2,-0.1 -0.462 26.8-171.6 -71.4 95.2 162.9 -16.9 99.8 64 64 A K - 0 0 54 -2,-0.9 4,-0.2 2,-0.1 -1,-0.1 -0.462 30.8-148.0 -82.1 72.9 163.2 -20.7 100.0 65 65 A K > - 0 0 118 -2,-2.4 2,-2.2 1,-0.2 3,-0.7 -0.063 66.8 -11.8 -46.0 136.4 159.5 -21.1 99.3 66 66 A K T 3 S- 0 0 217 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 -0.464 125.0 -60.2 71.1 -73.9 157.9 -24.1 101.0 67 67 A D T 3 - 0 0 88 -2,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.117 69.2-167.1 159.2 62.9 161.3 -25.7 102.0 68 68 A S < - 0 0 59 -3,-0.7 3,-0.1 -4,-0.2 4,-0.1 -0.112 26.8-134.2 -67.3 159.0 163.4 -26.4 98.8 69 69 A T S S+ 0 0 155 1,-0.2 2,-0.5 2,-0.1 -1,-0.1 0.817 96.9 51.3 -80.8 -32.2 166.5 -28.5 98.7 70 70 A K S S- 0 0 70 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.928 97.5-111.5-111.1 124.2 168.3 -25.9 96.5 71 71 A W - 0 0 56 -2,-0.5 2,-0.3 -3,-0.1 -8,-0.1 -0.200 37.7-172.7 -56.0 134.7 168.3 -22.3 97.7 72 72 A R - 0 0 40 -10,-0.2 2,-0.2 -4,-0.1 -7,-0.1 -0.955 7.6-158.9-132.0 149.7 166.3 -19.8 95.7 73 73 A K - 0 0 24 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.663 3.2-159.5-118.7 177.5 165.9 -15.9 95.7 74 74 A L E -C 61 0C 56 -13,-2.5 -13,-2.5 -2,-0.2 2,-0.7 -0.827 10.4-147.3-165.3 116.4 163.3 -13.4 94.4 75 75 A V E -C 60 0C 5 -2,-0.3 2,-0.8 -15,-0.2 -15,-0.2 -0.807 20.5-134.7 -91.1 114.3 163.9 -9.8 93.7 76 76 A D - 0 0 76 -2,-0.7 2,-1.2 -17,-0.6 3,-0.4 -0.537 19.1-173.4 -79.0 105.6 160.8 -7.7 94.4 77 77 A F + 0 0 14 -2,-0.8 77,-0.2 74,-0.3 -1,-0.1 -0.775 38.0 130.1 -95.9 84.5 160.1 -5.2 91.7 78 78 A R S S+ 0 0 128 -2,-1.2 4,-0.4 2,-0.1 -1,-0.2 0.758 74.6 42.4-102.3 -40.1 157.3 -3.3 93.3 79 79 A E S > S+ 0 0 62 -3,-0.4 4,-1.5 2,-0.2 3,-0.3 0.767 113.6 51.3 -77.9 -32.1 158.6 0.2 92.7 80 80 A L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.940 100.0 64.8 -70.7 -44.3 159.8 -0.4 89.2 81 81 A N H 4 S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.734 104.8 46.3 -49.8 -26.7 156.4 -1.8 88.3 82 82 A K H 4 S+ 0 0 118 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.927 113.3 47.7 -81.8 -47.2 155.0 1.7 88.9 83 83 A R H < S+ 0 0 68 -4,-1.5 -70,-1.7 -71,-0.1 -2,-0.2 0.803 93.6 88.4 -65.4 -34.6 157.6 3.6 87.0 84 84 A T B < S-A 12 0A 0 -4,-2.4 -72,-0.3 -72,-0.3 -67,-0.0 -0.201 82.9 -97.6 -68.0 161.4 157.7 1.5 83.8 85 85 A Q - 0 0 29 -74,-3.1 2,-0.4 1,-0.1 -1,-0.1 0.105 43.6 -90.9 -68.0 177.5 155.4 2.1 80.7 86 86 A D - 0 0 54 524,-0.1 2,-0.2 -74,-0.0 -1,-0.1 -0.836 38.8-158.4 -95.9 138.2 152.2 0.3 80.0 87 87 A F - 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