==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JUL-01 1JLB . COMPND 2 MOLECULE: HIV-1 RT A-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR J.REN,C.NICHOLS,L.BIRD,P.CHAMBERLAIN,K.WEAVER,S.SHORT, . 955 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 614 64.3 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 . 143 15.0 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 . 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 . 1 0.1 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 . 52 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 25.7 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+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 0 3 3 1 1 1 1 0 1 3 2 2 3 0 0 0 3 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 . 7 4 5 3 1 4 3 2 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 0 5 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 0 105 0, 0.0 211,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 59.1 3.5 -50.2 47.6 2 2 A I - 0 0 72 42,-0.1 116,-0.2 209,-0.1 115,-0.1 -0.471 360.0-122.5 -80.2 167.8 7.3 -50.0 47.7 3 3 A S - 0 0 14 114,-1.3 2,-1.2 -2,-0.2 207,-0.1 -0.861 7.4-127.1-122.2 155.5 8.7 -51.4 44.4 4 4 A P + 0 0 100 0, 0.0 2,-0.4 0, 0.0 114,-0.1 -0.456 64.3 132.9 -90.9 60.5 11.1 -54.1 43.3 5 5 A I - 0 0 24 -2,-1.2 -2,-0.1 204,-0.1 155,-0.0 -0.927 66.4 -98.9-119.6 139.2 13.3 -51.8 41.2 6 6 A E - 0 0 159 -2,-0.4 2,-0.2 1,-0.1 115,-0.1 -0.266 43.8-126.9 -48.2 123.0 17.1 -51.3 41.0 7 7 A T - 0 0 29 113,-0.1 113,-0.1 1,-0.1 -1,-0.1 -0.507 19.1-119.2 -77.5 148.6 18.0 -48.3 43.1 8 8 A V - 0 0 12 111,-0.3 113,-0.4 -2,-0.2 2,-0.1 -0.775 29.4-113.0 -90.6 124.4 20.1 -45.6 41.5 9 9 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.300 40.0-175.6 -57.5 125.4 23.4 -45.0 43.1 10 10 A V + 0 0 9 -2,-0.1 2,-0.3 74,-0.0 114,-0.2 -0.990 4.7 179.5-130.2 135.9 23.5 -41.6 44.7 11 11 A K - 0 0 139 -2,-0.4 74,-1.7 590,-0.1 2,-0.0 -0.944 29.1-100.3-135.7 157.0 26.4 -39.8 46.4 12 12 A L B -A 84 0A 25 -2,-0.3 3,-0.3 72,-0.2 72,-0.3 -0.311 53.7 -80.0 -72.6 155.4 27.2 -36.5 48.1 13 13 A K S > S- 0 0 61 70,-3.4 3,-1.5 1,-0.2 -1,-0.1 -0.023 76.1 -57.8 -49.2 157.2 29.0 -33.6 46.5 14 14 A P T 3 S- 0 0 127 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.155 118.9 -16.7 -45.0 105.8 32.8 -33.9 46.2 15 15 A G T 3 S+ 0 0 87 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.868 100.4 128.4 65.6 43.1 34.0 -34.2 49.8 16 16 A M < - 0 0 94 -3,-1.5 2,-0.3 67,-0.2 -1,-0.2 -0.809 45.9-134.3-122.1 168.0 31.1 -33.1 51.8 17 17 A D - 0 0 64 -2,-0.3 3,-0.1 1,-0.2 -4,-0.1 -0.898 30.5 -85.1-123.8 155.8 29.2 -34.7 54.7 18 18 A G - 0 0 3 -2,-0.3 -1,-0.2 1,-0.1 110,-0.1 0.240 59.6 -70.1 -47.0 171.6 25.6 -35.3 55.5 19 19 A P + 0 0 0 0, 0.0 38,-1.2 0, 0.0 -1,-0.1 -0.327 40.5 178.8 -69.5 147.7 23.2 -32.8 57.2 20 20 A K B +b 57 0B 122 36,-0.3 2,-0.3 -3,-0.1 38,-0.1 -0.522 24.2 143.2-149.1 71.4 23.6 -31.9 60.9 21 21 A V - 0 0 45 36,-1.5 2,-0.0 -2,-0.0 0, 0.0 -0.886 49.2-106.9-116.7 149.1 20.9 -29.3 61.9 22 22 A K - 0 0 187 -2,-0.3 2,-0.4 1,-0.1 35,-0.0 -0.319 30.7-117.5 -72.3 155.2 19.0 -29.1 65.2 23 23 A Q - 0 0 36 36,-0.1 -1,-0.1 1,-0.1 38,-0.1 -0.801 28.8-118.0 -95.7 128.6 15.3 -29.9 65.4 24 24 A W - 0 0 146 -2,-0.4 2,-0.2 36,-0.2 36,-0.1 -0.173 32.1-103.7 -61.5 157.2 12.9 -27.2 66.4 25 25 A P - 0 0 115 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.540 42.5-145.1 -80.6 151.0 10.8 -27.5 69.6 26 26 A L - 0 0 33 108,-0.2 5,-0.1 109,-0.2 35,-0.0 -0.937 10.6-116.6-131.9 149.7 7.2 -28.5 69.2 27 27 A T > - 0 0 71 -2,-0.4 4,-1.1 1,-0.1 5,-0.2 -0.036 43.1-103.7 -60.3 168.7 3.7 -28.0 70.7 28 28 A E H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.904 123.9 45.2 -64.8 -39.1 1.9 -31.0 72.2 29 29 A E H > S+ 0 0 107 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.685 108.0 54.6 -81.1 -17.4 -0.3 -31.2 69.1 30 30 A K H > S+ 0 0 53 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.700 116.1 40.1 -86.3 -18.7 2.6 -30.8 66.5 31 31 A I H X S+ 0 0 15 -4,-1.1 4,-2.1 -3,-0.2 5,-0.2 0.878 111.3 55.6 -90.6 -48.6 4.4 -33.8 68.2 32 32 A K H X S+ 0 0 113 -4,-2.5 4,-1.9 -5,-0.2 3,-0.3 0.935 111.3 46.2 -44.6 -58.1 1.3 -35.9 68.7 33 33 A A H >X S+ 0 0 5 -4,-1.2 4,-2.1 1,-0.2 3,-0.7 0.965 110.2 49.3 -50.6 -67.5 0.5 -35.7 65.1 34 34 A L H 3X S+ 0 0 2 -4,-0.9 4,-2.1 1,-0.3 -1,-0.2 0.774 108.3 56.9 -48.3 -29.1 3.9 -36.4 63.6 35 35 A V H 3X S+ 0 0 63 -4,-2.1 4,-1.9 -3,-0.3 -1,-0.3 0.962 112.0 41.5 -67.8 -47.6 4.1 -39.4 66.0 36 36 A E H XX S+ 0 0 129 -4,-1.9 4,-1.5 -3,-0.7 3,-0.8 0.994 116.5 46.5 -58.5 -68.2 0.9 -40.8 64.4 37 37 A I H >X S+ 0 0 41 -4,-2.1 4,-1.5 1,-0.3 3,-0.6 0.866 115.5 46.4 -41.3 -52.3 1.7 -40.0 60.8 38 38 A C H 3X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.3 0.816 106.1 57.0 -65.7 -33.4 5.2 -41.4 61.1 39 39 A T H S+ 0 0 18 -4,-1.5 5,-1.6 1,-0.3 6,-1.1 0.736 113.2 67.0 -55.6 -18.8 4.6 -44.8 57.0 42 42 A E H ><5S+ 0 0 52 -4,-1.6 3,-1.2 -5,-0.3 -1,-0.3 0.960 105.2 40.7 -63.2 -49.1 6.8 -46.6 59.6 43 43 A K H <<5S+ 0 0 134 -4,-1.7 -2,-0.2 -3,-1.2 -1,-0.2 0.830 109.4 60.2 -67.3 -33.0 4.4 -49.5 59.3 44 44 A E T 3<5S- 0 0 77 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.495 113.0-120.6 -74.0 -2.0 4.2 -49.1 55.5 45 45 A G T < 5S+ 0 0 27 -3,-1.2 -3,-0.2 -5,-0.3 -2,-0.1 0.470 82.0 119.9 76.5 0.4 8.0 -49.7 55.5 46 46 A K S - 0 0 27 -2,-0.3 3,-0.6 88,-0.1 -1,-0.1 0.098 46.6 -76.2 -89.5-156.1 19.8 -45.5 66.5 52 52 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.498 108.8 88.9 -84.3 -5.7 22.5 -43.1 67.6 53 53 A E T 3 S+ 0 0 169 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.450 75.0 81.8 -72.8 3.0 25.0 -44.4 65.0 54 54 A N < - 0 0 15 -3,-0.6 -1,-0.1 1,-0.1 -4,-0.0 -0.935 56.9-176.9-114.3 110.6 23.6 -41.8 62.7 55 55 A P + 0 0 79 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.340 55.0 92.5 -84.8 1.8 25.1 -38.3 63.3 56 56 A Y + 0 0 16 70,-0.3 -36,-0.3 -36,-0.1 2,-0.3 -0.426 48.1 176.3 -95.0 171.4 22.9 -36.5 60.7 57 57 A N B -b 20 0B 17 -38,-1.2 -36,-1.5 70,-0.2 73,-0.3 -0.876 16.9-162.2-174.9 141.6 19.6 -34.8 61.0 58 58 A T B -d 130 0C 1 71,-0.9 73,-0.8 -2,-0.3 2,-0.5 -0.976 36.2-106.0-128.7 140.0 17.0 -32.8 59.1 59 59 A P - 0 0 5 0, 0.0 17,-2.4 0, 0.0 2,-0.4 -0.534 30.6-155.5 -70.4 117.6 14.3 -30.7 60.6 60 60 A V E -F 75 0D 0 -2,-0.5 15,-0.2 71,-0.4 2,-0.2 -0.750 13.5-169.1 -92.8 140.6 10.8 -32.2 60.4 61 61 A F E -F 74 0D 59 13,-4.1 13,-1.7 -2,-0.4 2,-0.3 -0.683 13.9-141.2-120.8 176.4 7.8 -29.8 60.5 62 62 A A E +F 73 0D 16 11,-0.2 2,-0.4 -2,-0.2 11,-0.2 -0.907 22.1 167.0-147.3 114.3 4.1 -30.1 60.9 63 63 A I E -F 72 0D 78 9,-1.1 2,-0.9 -2,-0.3 9,-0.6 -0.994 36.2-126.3-131.0 124.7 1.5 -28.1 59.0 64 64 A K - 0 0 89 -2,-0.4 7,-0.2 7,-0.2 4,-0.1 -0.594 35.5-125.7 -72.7 104.3 -2.2 -28.9 58.9 65 65 A K - 0 0 83 -2,-0.9 3,-0.5 5,-0.2 5,-0.4 -0.212 30.6-100.2 -54.0 133.9 -3.0 -29.0 55.1 66 66 A K S S+ 0 0 183 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 -0.185 105.8 29.8 -57.5 144.2 -5.8 -26.7 54.1 67 67 A D S S+ 0 0 172 -3,-0.1 -1,-0.2 1,-0.0 2,-0.1 0.823 113.0 71.2 71.1 35.1 -9.2 -28.3 53.5 68 68 A S - 0 0 28 -3,-0.5 2,-1.4 -4,-0.1 -1,-0.0 -0.551 68.2-155.1-177.1 99.5 -8.5 -31.0 56.0 69 69 A T S S+ 0 0 124 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.1 -0.102 70.9 104.3 -76.9 39.4 -8.4 -30.0 59.7 70 70 A K S S- 0 0 132 -2,-1.4 2,-0.3 -5,-0.4 -5,-0.2 -0.778 78.5-102.6-115.2 160.0 -6.1 -33.0 60.0 71 71 A W - 0 0 59 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.657 34.1-178.6 -93.9 146.6 -2.4 -32.8 60.4 72 72 A R E -F 63 0D 116 -9,-0.6 -9,-1.1 -2,-0.3 2,-0.3 -0.853 18.8-122.6-132.2 164.8 0.3 -33.5 57.7 73 73 A K E -F 62 0D 28 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.758 16.1-170.6-116.7 165.0 4.1 -33.5 57.8 74 74 A L E -F 61 0D 75 -13,-1.7 -13,-4.1 -2,-0.3 2,-0.4 -0.978 8.2-155.6-151.8 131.1 7.0 -31.7 56.0 75 75 A V E -F 60 0D 19 -2,-0.3 2,-1.0 -15,-0.2 -15,-0.2 -0.939 15.0-138.0-114.1 133.4 10.7 -32.3 56.1 76 76 A D + 0 0 31 -17,-2.4 3,-0.5 -2,-0.4 4,-0.3 -0.688 28.2 166.8 -94.1 89.8 13.3 -29.6 55.3 77 77 A F > + 0 0 4 -2,-1.0 4,-3.9 1,-0.2 5,-0.3 0.175 37.0 120.0 -86.0 17.0 16.1 -31.0 53.0 78 78 A R H > S+ 0 0 164 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 82.7 39.2 -46.1 -52.0 17.5 -27.6 52.1 79 79 A E H >> S+ 0 0 61 -3,-0.5 4,-2.0 2,-0.2 3,-0.6 0.962 115.0 51.0 -65.8 -53.1 20.8 -28.5 53.6 80 80 A L H 3> S+ 0 0 0 -4,-0.3 4,-1.1 1,-0.3 -2,-0.2 0.915 109.8 52.8 -51.7 -42.4 20.8 -32.1 52.4 81 81 A N H 3< S+ 0 0 40 -4,-3.9 3,-0.3 1,-0.2 -1,-0.3 0.845 104.2 54.4 -63.5 -34.2 20.1 -30.8 48.9 82 82 A K H << S+ 0 0 120 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.904 112.3 45.7 -65.8 -36.4 23.0 -28.5 49.0 83 83 A R H < S+ 0 0 52 -4,-2.0 -70,-3.4 -3,-0.1 2,-0.3 0.586 93.4 97.6 -82.4 -11.9 25.2 -31.5 49.8 84 84 A T B < S-A 12 0A 0 -4,-1.1 -72,-0.2 -3,-0.3 67,-0.0 -0.577 78.9-107.1 -84.2 141.2 23.8 -33.9 47.2 85 85 A Q - 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