==== 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 1BQN . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.HSIOU,K.DAS,J.DING,E.ARNOLD . 988 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 62.8 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 . 105 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 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 . 102 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 22.1 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 7 1 2 0 2 1 0 1 2 1 3 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 13 2 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 4 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 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 66 0, 0.0 2,-0.2 0, 0.0 214,-0.2 0.000 360.0 360.0 360.0 66.2 171.6 -20.3 78.8 2 2 A I - 0 0 91 42,-0.4 116,-0.2 1,-0.1 115,-0.1 -0.547 360.0-122.1 -77.9 140.3 170.8 -16.9 77.3 3 3 A S - 0 0 13 114,-2.6 210,-0.3 -2,-0.2 -1,-0.1 -0.211 6.0-137.0 -76.5 165.5 168.7 -16.7 74.1 4 4 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 209,-0.1 -0.428 59.1 126.9-118.9 52.0 169.9 -15.0 70.9 5 5 A I S S- 0 0 17 207,-0.1 2,-0.5 1,-0.0 158,-0.1 -0.820 72.2 -86.8-119.5 153.1 166.6 -13.2 70.0 6 6 A E - 0 0 136 -2,-0.3 115,-0.1 157,-0.1 -1,-0.0 -0.416 52.7-141.5 -52.8 106.5 165.5 -9.7 69.2 7 7 A T - 0 0 49 -2,-0.5 113,-0.1 113,-0.1 -1,-0.1 -0.173 11.0-112.7 -70.7 167.3 164.8 -8.1 72.6 8 8 A V - 0 0 10 111,-0.4 2,-0.5 602,-0.0 113,-0.3 -0.843 26.2-117.9-110.8 137.7 162.0 -5.8 73.4 9 9 A P + 0 0 56 0, 0.0 2,-0.4 0, 0.0 601,-0.0 -0.706 32.8 177.3 -73.8 109.7 162.4 -2.0 74.4 10 10 A V + 0 0 12 -2,-0.5 2,-0.3 75,-0.0 113,-0.1 -0.899 12.0 174.7-128.1 143.8 161.3 -0.7 77.7 11 11 A K - 0 0 169 -2,-0.4 74,-1.8 601,-0.1 2,-0.2 -0.760 37.8-106.6-127.6 168.5 161.4 2.6 79.4 12 12 A L B -A 84 0A 13 -2,-0.3 72,-0.3 72,-0.3 3,-0.1 -0.648 60.8 -64.5 -96.8 159.5 159.9 3.5 82.8 13 13 A K S > S- 0 0 69 70,-3.1 3,-1.9 -2,-0.2 -1,-0.2 -0.197 75.0 -88.1 -48.1 125.5 156.7 5.6 82.9 14 14 A P T 3 S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.039 113.4 17.7 -36.4 132.7 157.8 9.1 81.5 15 15 A G T 3 S+ 0 0 90 1,-0.3 -2,-0.1 -3,-0.1 2,-0.0 -0.262 103.7 103.6 94.7 -47.3 159.1 11.4 84.3 16 16 A M < - 0 0 105 -3,-1.9 -1,-0.3 -2,-0.6 2,-0.2 -0.245 58.4-144.2 -70.7 156.0 159.7 8.6 86.8 17 17 A D - 0 0 53 1,-0.1 66,-0.1 -3,-0.1 -4,-0.1 -0.708 26.3 -89.6-116.3 168.3 163.1 7.1 87.6 18 18 A G - 0 0 0 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.360 57.5 -92.5 -72.0 155.2 164.4 3.7 88.4 19 19 A P - 0 0 0 0, 0.0 38,-1.1 0, 0.0 2,-0.4 -0.338 31.4-162.3 -72.1 151.3 164.4 2.8 92.1 20 20 A K + 0 0 115 36,-0.3 2,-0.2 -3,-0.1 36,-0.1 -0.987 24.9 151.8-136.5 119.5 167.3 3.4 94.6 21 21 A V - 0 0 51 -2,-0.4 2,-0.3 37,-0.1 37,-0.1 -0.596 36.2-138.1-130.3-170.0 167.3 1.5 97.8 22 22 A K - 0 0 191 -2,-0.2 2,-0.1 35,-0.1 -2,-0.0 -0.844 30.4-129.4-160.2 117.9 169.6 0.0 100.5 23 23 A Q - 0 0 58 -2,-0.3 3,-0.1 35,-0.2 -2,-0.0 -0.436 28.3 -88.2 -78.0 156.3 168.8 -3.4 101.9 24 24 A W - 0 0 77 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.463 53.6-106.7 -64.2 117.6 168.6 -4.5 105.5 25 25 A P - 0 0 137 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.251 44.1-167.5 -56.2 129.3 172.1 -5.6 106.6 26 26 A L - 0 0 48 108,-0.2 2,-0.0 107,-0.2 -3,-0.0 -0.753 9.3-119.7-120.5 163.1 172.3 -9.4 106.8 27 27 A T > - 0 0 28 -2,-0.3 4,-1.9 109,-0.1 5,-0.2 0.003 39.9 -72.7 -91.9-169.6 174.8 -11.9 108.3 28 28 A E H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 107,-0.0 0.851 122.1 47.2 -51.7 -56.5 177.0 -14.8 107.4 29 29 A E H > S+ 0 0 90 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.815 112.8 47.5 -67.3 -34.5 174.4 -17.5 106.8 30 30 A K H 4 S+ 0 0 76 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.906 112.7 48.6 -76.0 -37.4 172.1 -15.3 104.6 31 31 A I H >X S+ 0 0 18 -4,-1.9 4,-3.0 1,-0.2 3,-1.2 0.884 104.5 58.6 -71.4 -37.4 174.9 -14.0 102.4 32 32 A K H 3X S+ 0 0 157 -4,-2.0 4,-1.4 1,-0.3 5,-0.3 0.929 102.8 53.2 -58.9 -45.6 176.5 -17.4 101.7 33 33 A A H 3< S+ 0 0 15 -4,-1.1 4,-0.3 1,-0.2 -1,-0.3 0.687 116.6 41.2 -64.5 -15.7 173.3 -18.7 100.2 34 34 A L H <> S+ 0 0 17 -3,-1.2 4,-3.4 -4,-0.4 5,-0.3 0.819 108.5 52.5-101.8 -41.2 173.3 -15.7 97.9 35 35 A V H X S+ 0 0 58 -4,-3.0 4,-2.6 2,-0.2 3,-0.2 0.994 115.3 45.8 -54.5 -63.4 176.9 -15.2 96.8 36 36 A E H X S+ 0 0 141 -4,-1.4 4,-1.3 1,-0.3 -1,-0.2 0.802 114.2 51.1 -43.8 -43.4 176.9 -18.9 95.8 37 37 A I H > S+ 0 0 50 -5,-0.3 4,-0.8 -4,-0.3 -1,-0.3 0.970 111.3 43.1 -66.1 -51.2 173.6 -18.3 94.1 38 38 A C H >X S+ 0 0 0 -4,-3.4 4,-3.4 -3,-0.2 3,-0.7 0.885 105.1 65.1 -67.6 -34.4 174.5 -15.3 92.0 39 39 A T H 3X S+ 0 0 35 -4,-2.6 4,-3.2 1,-0.3 -1,-0.2 0.944 106.9 38.2 -54.9 -58.7 177.9 -16.7 90.9 40 40 A E H 3X S+ 0 0 114 -4,-1.3 4,-1.8 1,-0.2 -1,-0.3 0.664 116.7 54.5 -71.9 -4.4 176.6 -19.6 88.8 41 41 A M H <<>S+ 0 0 28 -4,-0.8 5,-3.4 -3,-0.7 6,-0.5 0.857 110.4 43.7 -87.1 -40.9 173.7 -17.4 87.7 42 42 A E H ><5S+ 0 0 55 -4,-3.4 3,-1.3 3,-0.3 -2,-0.2 0.913 111.6 59.7 -64.3 -41.5 176.3 -14.8 86.5 43 43 A K H 3<5S+ 0 0 134 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.917 102.2 47.7 -52.2 -52.0 178.0 -18.1 85.2 44 44 A E T 3<5S- 0 0 69 -4,-1.8 -42,-0.4 1,-0.1 -1,-0.3 0.555 122.3-117.6 -71.6 0.4 175.0 -18.9 83.0 45 45 A G T < 5S+ 0 0 23 -3,-1.3 -3,-0.3 2,-0.1 -2,-0.2 0.738 77.6 133.1 72.2 24.2 175.5 -15.3 82.1 46 46 A K S - 0 0 23 -2,-0.2 3,-1.7 91,-0.1 -1,-0.1 -0.573 40.0 -78.4-118.6-171.9 180.5 -1.3 89.5 52 52 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.847 113.0 82.1 -51.0 -37.2 180.0 1.6 91.9 53 53 A E T 3 + 0 0 174 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.443 66.8 91.5 -51.3 -9.3 178.9 3.6 88.9 54 54 A N < - 0 0 13 -3,-1.7 -1,-0.1 1,-0.2 -4,-0.1 -0.820 57.4-168.2-102.5 106.8 175.4 2.2 88.9 55 55 A P + 0 0 89 0, 0.0 -1,-0.2 0, 0.0 72,-0.0 0.829 58.6 70.8 -49.8 -53.9 173.1 4.5 90.9 56 56 A Y + 0 0 45 -36,-0.1 -36,-0.3 70,-0.1 2,-0.3 -0.241 56.1 170.9 -76.0 158.9 169.8 2.5 91.4 57 57 A N - 0 0 3 -38,-1.1 73,-0.2 73,-0.0 72,-0.1 -0.931 15.4-165.7-156.9 174.5 169.3 -0.7 93.6 58 58 A T - 0 0 3 -2,-0.3 73,-0.8 -38,-0.1 2,-0.2 -0.932 28.5 -99.5-160.1 161.9 166.7 -3.1 95.1 59 59 A P - 0 0 17 0, 0.0 17,-0.6 0, 0.0 2,-0.3 -0.656 22.7-134.1 -95.0 165.3 166.7 -5.8 97.8 60 60 A V E -D 75 0C 12 -2,-0.2 2,-0.4 71,-0.2 15,-0.2 -0.836 3.6-155.7-117.0 146.3 166.9 -9.6 97.9 61 61 A F E -D 74 0C 137 13,-4.1 13,-2.7 -2,-0.3 2,-0.1 -0.926 4.7-160.4-116.6 135.4 164.9 -12.2 99.7 62 62 A A + 0 0 9 -2,-0.4 11,-0.2 11,-0.3 10,-0.1 -0.448 34.0 178.7-116.8 57.3 166.8 -15.5 100.3 63 63 A I - 0 0 52 11,-0.1 9,-1.1 8,-0.1 -2,-0.0 0.393 37.0-157.9 -55.4 179.1 163.7 -17.6 100.9 64 64 A K - 0 0 78 7,-0.1 7,-0.1 1,-0.1 -1,-0.0 -0.480 11.7-176.1-161.1 76.4 162.8 -21.2 101.6 65 65 A K S S+ 0 0 213 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.905 81.4 6.5 -45.7 -59.8 159.2 -21.8 100.6 66 66 A K S S- 0 0 83 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.797 100.7-103.1-101.4 -36.4 158.8 -25.5 101.8 67 67 A D + 0 0 92 1,-0.2 2,-0.2 3,-0.1 4,-0.1 0.746 69.4 146.6 106.3 38.7 162.0 -26.4 103.8 68 68 A S - 0 0 93 2,-0.2 -1,-0.2 1,-0.0 -2,-0.0 -0.473 60.2 -92.6 -99.2 172.5 163.6 -28.5 101.0 69 69 A T S S+ 0 0 140 -2,-0.2 2,-0.7 2,-0.0 -1,-0.0 0.745 98.3 72.5 -62.6 -40.7 167.3 -28.9 100.1 70 70 A K S S- 0 0 71 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 -0.724 73.3-144.1 -88.9 111.8 168.0 -26.2 97.4 71 71 A W - 0 0 145 -2,-0.7 2,-0.3 -7,-0.1 -7,-0.1 -0.391 23.6-173.4 -65.9 156.4 168.1 -22.7 98.8 72 72 A R - 0 0 166 -9,-1.1 2,-0.2 -10,-0.1 -39,-0.0 -0.931 10.8-148.4-147.7 164.6 166.7 -20.1 96.5 73 73 A K - 0 0 30 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.3 -0.753 8.8-172.6-128.0 177.4 166.4 -16.3 96.3 74 74 A L E -D 61 0C 57 -13,-2.7 -13,-4.1 -2,-0.2 2,-0.4 -0.919 15.5-143.1-171.9 152.0 164.1 -13.6 95.0 75 75 A V E -D 60 0C 2 -2,-0.3 2,-1.0 -15,-0.2 -15,-0.2 -0.970 17.0-138.0-122.8 129.4 163.8 -9.9 94.5 76 76 A D - 0 0 85 -17,-0.6 2,-2.3 -2,-0.4 3,-0.4 -0.812 10.4-164.9 -91.8 100.4 160.6 -8.0 94.9 77 77 A F > + 0 0 7 -2,-1.0 4,-1.5 74,-0.3 77,-0.3 -0.463 43.2 137.8 -81.5 57.4 160.5 -5.6 92.1 78 78 A R H >> S+ 0 0 142 -2,-2.3 4,-0.9 2,-0.2 3,-0.5 0.978 70.7 36.2 -66.4 -69.9 157.8 -3.9 94.0 79 79 A E H 3> S+ 0 0 60 -3,-0.4 4,-1.8 1,-0.3 3,-0.3 0.739 116.1 54.2 -57.3 -33.1 159.0 -0.3 93.4 80 80 A L H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.950 102.4 57.6 -67.6 -44.2 160.2 -1.0 89.9 81 81 A N H << S+ 0 0 60 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.733 104.8 53.7 -57.8 -24.9 156.7 -2.4 89.0 82 82 A K H < S+ 0 0 143 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.979 116.8 36.7 -70.0 -56.7 155.4 1.0 90.1 83 83 A R H < S+ 0 0 53 -4,-1.8 -70,-3.1 -66,-0.1 -2,-0.2 0.900 90.8 98.0 -60.7 -57.4 157.7 2.8 87.7 84 84 A T B < S-A 12 0A 0 -4,-2.6 -72,-0.3 -72,-0.3 -67,-0.0 0.051 80.7 -95.4 -43.6 141.0 158.1 0.7 84.6 85 85 A Q - 0 0 26 -74,-1.8 2,-0.3 1,-0.1 -72,-0.1 0.125 45.2 -94.5 -50.5 167.0 156.0 1.6 81.5 86 86 A D - 0 0 50 526,-0.1 2,-0.2 -74,-0.1 -1,-0.1 -0.653 39.1-155.4 -88.7 150.3 152.6 -0.2 80.7 87 87 A F - 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