==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-FEB-08 3C6U . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR Y.YAN,S.PRASAD . 962 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 618 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 14.0 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 . 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 . 76 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 25.4 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 3 2 1 1 1 0 1 1 1 0 5 0 4 0 1 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 4 3 7 2 2 3 4 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 . 5 1 4 2 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 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 0 A S 0 0 71 0, 0.0 214,-0.1 0, 0.0 113,-0.0 0.000 360.0 360.0 360.0 140.0 29.5 1.2 32.6 2 1 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 214,-0.1 -0.185 360.0-142.5 -57.9 153.2 31.9 2.6 29.9 3 2 A I - 0 0 53 212,-0.1 116,-0.2 116,-0.0 211,-0.1 -0.670 37.8-103.6-123.5 74.8 33.4 6.1 30.6 4 3 A S - 0 0 4 114,-0.9 210,-0.2 -2,-0.4 209,-0.1 0.615 15.5-140.8 5.8 122.3 33.5 7.8 27.2 5 4 A P + 0 0 80 0, 0.0 -1,-0.2 0, 0.0 209,-0.1 0.529 64.0 125.3 -73.9 -6.5 37.0 8.0 25.6 6 5 A I - 0 0 20 207,-0.3 158,-0.0 1,-0.1 207,-0.0 0.043 68.1 -84.0 -58.8 161.6 36.0 11.5 24.4 7 6 A E - 0 0 162 1,-0.1 2,-0.3 157,-0.1 -1,-0.1 -0.070 45.5-112.0 -61.6 163.3 37.9 14.8 25.0 8 7 A T - 0 0 37 113,-0.1 -1,-0.1 111,-0.0 113,-0.1 -0.759 13.2-128.7-105.6 145.5 37.4 16.9 28.1 9 8 A V - 0 0 16 -2,-0.3 113,-0.5 111,-0.2 2,-0.2 -0.800 30.8-124.8 -91.6 111.0 35.8 20.3 28.6 10 9 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 597,-0.0 -0.383 31.6-164.3 -59.5 122.9 38.2 22.5 30.4 11 10 A V - 0 0 8 -2,-0.2 2,-0.3 74,-0.0 113,-0.0 -0.873 6.8-171.8-111.6 144.5 36.4 23.8 33.5 12 11 A K - 0 0 139 -2,-0.4 74,-2.1 595,-0.1 2,-0.1 -0.946 22.0-116.9-134.0 154.4 37.4 26.8 35.6 13 12 A L B -A 85 0A 24 -2,-0.3 72,-0.3 72,-0.2 3,-0.1 -0.345 50.8 -78.5 -81.9 169.1 36.3 28.3 38.9 14 13 A K > - 0 0 64 70,-3.5 3,-1.5 1,-0.1 -1,-0.1 -0.555 64.1 -88.1 -74.3 129.9 34.9 31.8 39.1 15 14 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.034 112.2 13.8 -38.0 131.3 37.7 34.5 39.0 16 15 A G T 3 S+ 0 0 93 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.597 108.9 109.7 74.1 11.4 39.2 35.4 42.4 17 16 A M < - 0 0 68 -3,-1.5 -1,-0.3 67,-0.1 2,-0.3 -0.882 54.4-149.9-120.4 151.8 37.6 32.4 43.9 18 17 A D - 0 0 68 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.767 35.3 -81.8-115.5 162.3 39.0 29.1 45.2 19 18 A G - 0 0 2 -2,-0.3 -1,-0.2 1,-0.1 62,-0.1 0.008 61.1 -82.8 -53.8 165.8 37.5 25.6 45.4 20 19 A P - 0 0 0 0, 0.0 38,-1.4 0, 0.0 -1,-0.1 -0.366 35.1-174.4 -75.3 156.0 35.2 24.8 48.2 21 20 A K B +b 58 0B 117 36,-0.3 2,-0.4 -3,-0.1 38,-0.2 -0.583 20.7 164.7-147.0 72.0 36.4 23.7 51.7 22 21 A V - 0 0 39 36,-2.5 2,-0.1 -2,-0.1 0, 0.0 -0.803 36.3-116.8 -99.8 136.5 33.2 22.7 53.6 23 22 A K - 0 0 156 -2,-0.4 2,-0.5 1,-0.1 35,-0.0 -0.435 26.4-121.7 -72.1 141.5 33.3 20.7 56.8 24 23 A Q - 0 0 29 -2,-0.1 -1,-0.1 36,-0.1 109,-0.0 -0.721 17.4-133.9 -87.9 126.8 31.7 17.3 57.0 25 24 A W - 0 0 177 -2,-0.5 2,-0.4 36,-0.2 36,-0.2 -0.433 34.0-106.3 -68.9 149.7 28.9 16.7 59.5 26 25 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.665 39.0-151.8 -84.6 137.3 29.5 13.5 61.3 27 26 A L - 0 0 18 -2,-0.4 110,-0.3 108,-0.2 35,-0.0 -0.638 20.1 -92.8-104.6 164.5 27.1 10.7 60.2 28 27 A T > - 0 0 69 -2,-0.2 4,-2.5 1,-0.1 3,-0.4 -0.165 39.9-106.8 -66.4 164.5 25.6 7.6 62.0 29 28 A E H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.899 119.8 56.5 -60.9 -40.5 27.3 4.3 61.7 30 29 A E H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.826 111.5 43.4 -60.2 -34.3 24.6 3.0 59.4 31 30 A K H > S+ 0 0 35 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.908 109.9 52.6 -79.1 -45.5 25.3 5.9 57.0 32 31 A I H X S+ 0 0 13 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.878 111.5 51.9 -58.4 -33.3 29.1 5.7 57.1 33 32 A K H X S+ 0 0 115 -4,-2.1 4,-1.9 -5,-0.2 3,-0.4 0.983 108.6 47.3 -65.5 -57.3 28.6 2.1 56.2 34 33 A A H >X S+ 0 0 3 -4,-1.8 4,-3.3 1,-0.3 3,-0.5 0.926 111.9 50.3 -48.8 -54.2 26.3 2.7 53.2 35 34 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.3 -1,-0.3 0.857 108.7 52.7 -57.3 -34.7 28.6 5.4 51.8 36 35 A V H 3X S+ 0 0 52 -4,-1.6 4,-1.5 -3,-0.4 -1,-0.3 0.845 112.8 45.0 -69.1 -32.3 31.6 3.0 52.1 37 36 A E H S+ 0 0 18 -4,-2.3 5,-1.7 1,-0.2 6,-0.6 0.913 112.7 49.3 -53.2 -47.9 31.9 3.7 42.3 43 42 A E H ><5S+ 0 0 53 -4,-2.8 3,-1.5 4,-0.2 -1,-0.2 0.914 108.7 53.8 -59.2 -43.2 35.6 3.6 42.6 44 43 A K H 3<5S+ 0 0 170 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.940 108.8 48.0 -55.3 -52.3 35.7 0.1 41.1 45 44 A E T 3<5S- 0 0 84 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.417 119.2-112.8 -72.2 2.3 33.7 1.3 38.1 46 45 A G T < 5S+ 0 0 32 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.359 84.8 121.5 82.8 -4.7 36.2 4.2 37.8 47 46 A K S + 0 0 3 -2,-1.4 4,-2.8 1,-0.2 5,-0.2 0.151 40.1 117.3 -85.5 20.7 27.5 20.6 45.6 79 78 A R H > S+ 0 0 175 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 77.7 40.6 -52.7 -55.4 26.1 24.0 46.6 80 79 A E H 4 S+ 0 0 69 -3,-0.5 4,-0.4 2,-0.2 -1,-0.2 0.787 116.5 49.0 -67.7 -29.9 29.4 25.7 47.4 81 80 A L H >> S+ 0 0 0 -4,-0.2 4,-1.1 2,-0.2 3,-0.8 0.893 111.0 51.0 -75.9 -37.6 31.2 24.2 44.4 82 81 A N H 3< S+ 0 0 36 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.863 106.9 53.9 -65.4 -36.0 28.4 25.3 42.1 83 82 A K T 3< S+ 0 0 111 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.645 114.6 42.1 -72.4 -14.5 28.6 28.8 43.6 84 83 A R T <4 S+ 0 0 51 -3,-0.8 -70,-3.5 -4,-0.4 2,-0.2 0.504 94.0 100.0-108.4 -10.6 32.3 28.8 42.7 85 84 A T B < S-A 13 0A 0 -4,-1.1 -72,-0.2 -3,-0.3 3,-0.1 -0.559 80.8-104.4 -80.7 141.8 32.1 27.2 39.3 86 85 A Q - 0 0 23 -74,-2.1 2,-0.2 -2,-0.2 -1,-0.1 -0.158 41.1 -99.5 -57.1 157.4 32.2 29.3 36.1 87 86 A D - 0 0 69 -74,-0.1 2,-0.2 520,-0.1 -1,-0.1 -0.559 40.9-150.7 -80.3 145.1 28.9 29.9 34.3 88 87 A F - 0 0 20 -2,-0.2 519,-0.2 67,-0.1 2,-0.1 -0.626 28.3 -79.9-109.3 173.6 28.3 27.7 31.3 89 88 A W - 0 0 44 517,-2.8 2,-0.4 -2,-0.2 -1,-0.1 -0.473 59.8 -91.5 -72.1 145.5 26.5 28.2 28.0 90 89 A E - 0 0 113 519,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.432 38.2-138.6 -61.3 114.9 22.7 27.8 28.3 91 90 A V S S- 0 0 56 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.864 76.8 -9.7 -36.8-101.1 22.0 24.1 27.5 92 91 A Q - 0 0 48 602,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.906 59.5-157.4-107.3 132.1 18.9 24.2 25.3 93 92 A L S S+ 0 0 86 -2,-0.5 2,-0.2 -3,-0.2 -1,-0.1 -0.108 76.0 3.8 -98.8 35.5 17.1 27.5 25.1 94 93 A G S S- 0 0 24 597,-0.1 -1,-0.0 596,-0.1 0, 0.0 -0.863 72.4-113.6 163.1 165.0 13.7 25.9 24.1 95 94 A I - 0 0 79 -2,-0.2 596,-0.1 -3,-0.1 597,-0.1 -0.977 37.7 -96.0-128.9 139.2 12.0 22.6 23.6 96 95 A P - 0 0 9 0, 0.0 595,-0.1 0, 0.0 594,-0.1 -0.162 33.4-140.5 -51.3 132.9 10.6 20.9 20.5 97 96 A H > - 0 0 24 1,-0.1 3,-3.2 593,-0.1 4,-0.2 -0.884 11.4-133.1-101.0 125.9 7.0 21.5 19.9 98 97 A P G > S+ 0 0 0 0, 0.0 3,-3.2 0, 0.0 222,-0.3 0.853 105.9 61.8 -37.3 -52.4 5.1 18.4 18.5 99 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 220,-0.1 219,-0.1 0.559 100.5 55.7 -57.9 -9.5 3.4 20.5 15.9 100 99 A G G < S+ 0 0 2 -3,-3.2 2,-0.4 590,-0.1 -1,-0.3 0.381 85.6 105.4-102.9 -1.1 6.8 21.3 14.5 101 100 A L < - 0 0 30 -3,-3.2 219,-2.2 -4,-0.2 2,-0.3 -0.679 66.4-136.7 -84.5 134.0 7.7 17.7 14.1 102 101 A K - 0 0 82 -2,-0.4 2,-0.2 217,-0.2 219,-0.1 -0.627 29.3-100.4 -87.7 144.4 7.6 16.3 10.5 103 102 A K - 0 0 110 -2,-0.3 2,-0.3 217,-0.2 -1,-0.1 -0.474 45.1-170.3 -65.5 131.6 6.1 12.9 9.8 104 103 A K - 0 0 59 133,-0.2 89,-0.2 -2,-0.2 3,-0.2 -0.943 31.0-122.7-126.0 147.5 8.7 10.2 9.5 105 104 A K S S- 0 0 139 -2,-0.3 2,-0.4 87,-0.3 88,-0.2 0.958 94.2 -0.6 -50.3 -61.6 8.5 6.6 8.4 106 105 A S E -G 192 0E 37 86,-1.8 86,-1.6 88,-0.1 2,-0.4 -0.998 64.2-170.8-137.8 138.3 9.9 5.2 11.6 107 106 A V E -G 191 0E 59 -2,-0.4 2,-0.4 84,-0.2 84,-0.3 -0.992 1.1-170.0-129.5 133.7 11.2 6.8 14.9 108 107 A T E -G 190 0E 13 82,-2.4 82,-2.7 -2,-0.4 2,-0.4 -0.983 16.3-141.0-122.9 130.7 13.0 5.1 17.8 109 108 A V E -G 189 0E 12 -2,-0.4 2,-0.5 115,-0.3 115,-0.4 -0.771 16.8-166.4 -91.4 132.6 13.7 6.9 21.1 110 109 A L E -G 188 0E 0 78,-3.7 78,-1.0 -2,-0.4 2,-0.5 -0.894 4.4-167.0-126.1 105.6 17.1 6.2 22.6 111 110 A D E -G 187 0E 49 -2,-0.5 2,-0.3 76,-0.2 76,-0.2 -0.764 22.6-130.5 -91.5 127.2 17.8 7.1 26.2 112 111 A V > - 0 0 3 74,-2.9 3,-0.5 -2,-0.5 2,-0.4 -0.594 24.0-129.4 -74.2 134.4 21.4 7.0 27.2 113 112 A G T 3 S- 0 0 24 103,-1.4 103,-0.4 -2,-0.3 -1,-0.0 -0.722 82.9 -0.3 -88.9 136.5 21.9 5.0 30.4 114 113 A D T 3> S- 0 0 92 -2,-0.4 4,-1.0 3,-0.1 -1,-0.3 0.950 81.4-179.1 51.5 55.8 23.9 6.6 33.2 115 114 A A T X4 S+ 0 0 5 -3,-0.5 3,-1.1 2,-0.2 35,-0.1 0.934 70.5 38.4 -51.4 -65.3 24.5 9.7 31.2 116 115 A Y G >4 S+ 0 0 42 1,-0.3 34,-1.6 2,-0.2 3,-1.5 0.886 116.2 53.1 -58.1 -41.3 26.7 11.9 33.5 117 116 A F G 34 S+ 0 0 32 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.662 99.8 63.6 -71.7 -12.3 28.6 9.0 34.8 118 117 A S G << S+ 0 0 0 -3,-1.1 -114,-0.9 -4,-1.0 -1,-0.3 0.358 96.6 70.0 -91.8 5.1 29.4 7.9 31.2 119 118 A V S < S- 0 0 3 -3,-1.5 31,-1.6 -116,-0.2 -115,-0.1 -0.990 79.5-123.6-133.8 129.6 31.4 11.1 30.6 120 119 A P B -I 149 0F 17 0, 0.0 2,-0.4 0, 0.0 29,-0.3 0.052 19.3-132.2 -57.9 164.6 34.9 12.2 32.0 121 120 A L - 0 0 4 27,-1.3 5,-0.2 -113,-0.1 4,-0.1 -0.988 39.1 -80.3-130.4 134.8 35.6 15.4 33.9 122 121 A D >> - 0 0 21 -113,-0.5 3,-3.0 -2,-0.4 4,-1.5 0.004 41.6-133.4 -33.8 111.1 38.5 17.9 33.3 123 122 A E T 34 S+ 0 0 138 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.796 103.0 49.4 -40.0 -43.8 41.5 16.3 35.1 124 123 A D T 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.449 110.2 50.2 -83.2 0.8 42.5 19.6 36.8 125 124 A F T X> S+ 0 0 1 -3,-3.0 3,-2.0 2,-0.1 4,-0.5 0.649 85.1 85.0-106.0 -23.6 39.0 20.3 38.1 126 125 A R G >< S+ 0 0 35 -4,-1.5 3,-1.2 1,-0.3 21,-0.6 0.788 79.9 70.3 -46.0 -33.2 38.4 16.8 39.6 127 126 A K G >4 S+ 0 0 81 -4,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.813 90.7 55.2 -58.6 -37.0 40.2 18.2 42.7 128 127 A Y G <4 S+ 0 0 40 -3,-2.0 -70,-0.3 1,-0.3 -1,-0.3 0.672 95.7 68.5 -74.1 -14.3 37.4 20.5 43.8 129 128 A T G << S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.1 0.175 72.2 138.8 -87.8 15.3 34.9 17.7 43.8 130 129 A A < + 0 0 0 -3,-1.1 -71,-1.4 16,-0.1 2,-0.3 -0.379 25.1 172.4 -64.9 137.2 36.7 16.1 46.8 131 130 A F E -dE 59 145C 0 14,-1.7 14,-2.3 -73,-0.3 2,-0.4 -0.894 19.4-136.3-138.9 167.7 34.4 14.7 49.6 132 131 A T E - 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