==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-AUG-00 1FKO . COMPND 2 MOLECULE: HIV-1 RT, A-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.REN,J.MILTON,K.L.WEAVER,S.A.SHORT,D.I.STUART,D.K.STAMMERS . 946 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 14.6 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 . 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 . 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 . 63 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 25.7 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 1 3 2 1 2 0 0 1 2 2 2 1 2 1 1 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 6 4 5 4 1 4 2 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 2 4 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 78 0, 0.0 2,-0.3 0, 0.0 214,-0.2 0.000 360.0 360.0 360.0 98.5 4.3 -51.1 46.3 2 2 A I - 0 0 77 42,-0.2 116,-0.2 212,-0.1 115,-0.1 -0.756 360.0-116.5-100.1 142.6 8.1 -51.2 46.0 3 3 A S - 0 0 9 114,-3.0 210,-0.2 -2,-0.3 209,-0.1 -0.505 10.8-160.1 -83.0 140.6 10.1 -51.2 42.7 4 4 A P + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 209,-0.1 0.310 54.7 119.3 -94.3 0.7 12.4 -54.1 41.4 5 5 A I S S- 0 0 23 207,-0.3 2,-0.1 1,-0.1 158,-0.0 -0.354 76.7 -92.7 -67.8 152.7 14.4 -51.9 39.0 6 6 A E - 0 0 153 1,-0.1 -1,-0.1 157,-0.0 2,-0.1 -0.399 45.9-111.0 -67.6 142.9 18.1 -51.6 39.6 7 7 A T - 0 0 22 113,-0.1 113,-0.1 -2,-0.1 -1,-0.1 -0.407 21.1-115.9 -79.0 151.1 19.2 -48.6 41.7 8 8 A V - 0 0 19 111,-0.4 113,-0.3 -2,-0.1 2,-0.2 -0.754 34.0-119.4 -86.7 120.3 21.2 -45.6 40.5 9 9 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.433 37.6-171.2 -62.1 123.7 24.6 -45.5 42.2 10 10 A V - 0 0 10 -2,-0.2 2,-0.3 74,-0.0 113,-0.1 -0.911 9.7-174.4-122.4 147.7 24.8 -42.3 44.1 11 11 A K - 0 0 140 -2,-0.3 74,-1.3 584,-0.1 2,-0.1 -0.978 27.1-109.8-139.4 151.8 27.8 -40.6 45.9 12 12 A L B -A 84 0A 24 -2,-0.3 72,-0.3 72,-0.2 3,-0.2 -0.335 54.3 -75.6 -75.8 161.8 28.2 -37.6 48.1 13 13 A K S > S- 0 0 62 70,-2.7 3,-1.1 1,-0.2 -1,-0.2 -0.153 77.0 -61.2 -55.2 152.9 30.1 -34.5 46.9 14 14 A P T 3 S- 0 0 131 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.101 119.3 -10.6 -41.7 107.3 33.9 -34.8 46.7 15 15 A G T 3 S+ 0 0 85 -3,-0.2 2,-0.3 1,-0.2 -2,-0.1 0.927 100.3 127.7 66.4 49.9 35.1 -35.4 50.2 16 16 A M < - 0 0 85 -3,-1.1 2,-0.3 67,-0.1 -1,-0.2 -0.942 45.1-138.1-132.3 155.7 32.0 -34.8 52.3 17 17 A D - 0 0 55 -2,-0.3 3,-0.1 1,-0.2 -4,-0.1 -0.855 29.7 -87.4-118.1 153.3 30.2 -36.9 55.0 18 18 A G - 0 0 3 -2,-0.3 2,-0.2 1,-0.1 -1,-0.2 0.250 58.0 -70.4 -46.2 171.8 26.6 -37.6 55.7 19 19 A P - 0 0 0 0, 0.0 38,-3.5 0, 0.0 2,-0.2 -0.498 36.4-174.2 -73.0 131.3 24.2 -35.5 57.9 20 20 A K B +b 57 0B 135 36,-0.3 38,-0.2 -2,-0.2 2,-0.1 -0.587 32.6 146.1-124.2 65.7 24.7 -35.5 61.6 21 21 A V - 0 0 50 36,-2.5 2,-0.1 -2,-0.2 37,-0.1 -0.409 44.3-110.1 -97.3 174.9 21.6 -33.5 62.7 22 22 A K - 0 0 130 -2,-0.1 2,-0.5 35,-0.1 -1,-0.1 -0.334 20.6-120.4 -95.5 179.4 19.4 -33.7 65.8 23 23 A Q - 0 0 33 36,-0.2 3,-0.1 -2,-0.1 38,-0.0 -0.873 36.1-120.7-128.2 96.0 15.8 -34.8 66.2 24 24 A W - 0 0 119 -2,-0.5 2,-0.3 1,-0.1 36,-0.1 0.153 29.5-101.4 -34.7 140.7 13.7 -32.0 67.6 25 25 A P - 0 0 120 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.528 49.5-158.5 -69.4 131.0 11.9 -32.6 70.9 26 26 A L - 0 0 21 -2,-0.3 2,-0.1 108,-0.2 35,-0.0 -0.697 16.0-106.2-115.9 167.8 8.2 -33.4 70.1 27 27 A T > - 0 0 87 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.407 41.0-104.1 -81.6 161.0 4.8 -33.4 71.8 28 28 A E H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 107,-0.1 0.907 123.4 46.4 -51.9 -43.0 3.1 -36.7 72.9 29 29 A E H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.970 109.0 50.2 -64.9 -57.9 0.9 -36.3 69.8 30 30 A K H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 116.4 44.0 -51.2 -38.5 3.5 -35.5 67.2 31 31 A I H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.901 108.6 57.7 -73.8 -41.1 5.5 -38.5 68.3 32 32 A K H X S+ 0 0 95 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.920 110.0 45.7 -53.0 -47.3 2.4 -40.7 68.5 33 33 A A H X S+ 0 0 4 -4,-2.6 4,-3.1 2,-0.2 3,-0.5 0.986 109.7 50.4 -60.6 -64.8 1.7 -40.0 64.8 34 34 A L H X S+ 0 0 2 -4,-1.8 4,-3.9 1,-0.3 5,-0.3 0.857 108.5 54.1 -42.0 -48.4 5.2 -40.5 63.4 35 35 A V H X S+ 0 0 65 -4,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.940 113.3 42.2 -54.5 -50.2 5.5 -43.8 65.2 36 36 A E H X S+ 0 0 126 -4,-1.7 4,-1.1 -3,-0.5 -2,-0.2 0.966 116.8 48.5 -60.4 -53.6 2.2 -45.0 63.6 37 37 A I H >X S+ 0 0 36 -4,-3.1 4,-1.7 1,-0.2 3,-1.2 0.937 113.2 45.6 -51.4 -56.8 3.2 -43.5 60.2 38 38 A C H 3X S+ 0 0 1 -4,-3.9 4,-2.9 1,-0.3 -1,-0.2 0.914 108.4 56.7 -55.1 -47.1 6.7 -45.0 60.2 39 39 A T H 3X S+ 0 0 73 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.3 0.747 105.6 55.9 -57.4 -23.6 5.3 -48.4 61.3 40 40 A E H S+ 0 0 22 -4,-1.7 5,-1.7 1,-0.2 4,-1.7 0.748 111.4 68.8 -69.4 -21.3 5.9 -47.6 55.6 42 42 A E H <5S+ 0 0 56 -4,-2.9 3,-0.4 -5,-0.3 -1,-0.2 0.961 105.7 38.6 -58.1 -52.1 8.1 -49.9 57.8 43 43 A K H <5S+ 0 0 147 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.7 57.9 -68.4 -31.2 5.9 -52.8 56.9 44 44 A E H <5S- 0 0 75 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.777 114.5-120.2 -69.1 -26.0 5.6 -51.5 53.3 45 45 A G T <5S+ 0 0 22 -4,-1.7 -3,-0.2 -3,-0.4 -2,-0.1 0.385 79.7 124.2 99.0 -1.2 9.3 -51.7 53.1 46 46 A K S - 0 0 22 -2,-0.4 3,-0.9 1,-0.1 -1,-0.1 0.072 39.7 -86.7 -72.9-176.5 21.4 -49.8 64.4 52 52 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.592 109.8 90.4 -68.0 -10.0 23.8 -47.6 66.3 53 53 A E T 3 S+ 0 0 151 1,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.379 70.7 84.4 -69.4 7.2 26.3 -48.2 63.6 54 54 A N < - 0 0 17 -3,-0.9 -1,-0.1 1,-0.1 -4,-0.0 -0.909 53.6-177.2-118.0 105.4 24.9 -45.2 61.8 55 55 A P + 0 0 82 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.235 57.7 92.6 -82.8 12.4 26.4 -41.8 62.9 56 56 A Y + 0 0 22 70,-0.2 -36,-0.3 -36,-0.1 2,-0.3 -0.609 46.3 168.1-105.0 167.0 24.1 -39.8 60.6 57 57 A N B -b 20 0B 12 -38,-3.5 -36,-2.5 -2,-0.2 73,-0.2 -0.909 17.9-158.5-174.2 147.8 20.7 -38.2 61.2 58 58 A T B -d 130 0C 0 71,-0.7 73,-0.5 -2,-0.3 19,-0.1 -0.996 36.7-100.5-135.2 137.2 18.3 -35.8 59.6 59 59 A P - 0 0 3 0, 0.0 17,-2.3 0, 0.0 2,-0.3 -0.348 36.9-159.2 -60.6 129.2 15.5 -33.8 61.4 60 60 A V E -F 75 0D 1 71,-0.3 2,-0.2 15,-0.2 15,-0.2 -0.823 8.6-166.5-110.3 150.5 12.1 -35.3 61.1 61 61 A F E -F 74 0D 56 13,-3.0 13,-1.2 -2,-0.3 2,-0.4 -0.781 17.2-139.2-131.7 174.7 8.8 -33.5 61.6 62 62 A A E +F 73 0D 16 -2,-0.2 2,-0.4 11,-0.2 11,-0.2 -0.951 23.2 171.1-140.6 115.6 5.0 -33.9 62.0 63 63 A I E -F 72 0D 80 9,-2.3 2,-1.3 -2,-0.4 9,-1.1 -0.989 35.9-124.2-129.0 134.0 2.4 -31.7 60.3 64 64 A K - 0 0 75 -2,-0.4 7,-0.2 7,-0.2 3,-0.1 -0.634 37.0-125.0 -77.5 96.5 -1.3 -32.2 60.2 65 65 A K > - 0 0 57 -2,-1.3 3,-1.7 5,-0.4 5,-0.2 -0.148 34.2-105.3 -43.0 123.5 -1.9 -32.1 56.4 66 66 A K T 3 S+ 0 0 196 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 -0.238 104.5 28.7 -57.7 144.5 -4.5 -29.4 55.9 67 67 A D T 3 S+ 0 0 175 -3,-0.1 2,-0.5 1,-0.0 -1,-0.2 0.015 114.3 73.5 91.6 -22.5 -8.1 -30.5 55.1 68 68 A S < - 0 0 40 -3,-1.7 -1,-0.0 2,-0.2 0, 0.0 -0.984 67.3-155.4-125.1 120.8 -7.4 -33.7 57.1 69 69 A T + 0 0 121 -2,-0.5 2,-0.2 -3,-0.1 -3,-0.1 0.372 69.7 108.2 -73.7 7.3 -7.3 -33.6 60.9 70 70 A K S S- 0 0 128 -5,-0.2 -5,-0.4 1,-0.1 2,-0.2 -0.563 79.0-103.3 -85.0 149.3 -5.1 -36.7 60.4 71 71 A W - 0 0 52 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.473 37.1-177.6 -78.8 145.2 -1.4 -36.6 61.1 72 72 A R E -F 63 0D 130 -9,-1.1 -9,-2.3 -2,-0.2 2,-0.1 -0.934 13.4-136.7-135.5 155.9 1.2 -36.4 58.3 73 73 A K E -F 62 0D 37 -2,-0.3 2,-0.2 -11,-0.2 -11,-0.2 -0.397 12.4-170.1-108.2-175.0 5.0 -36.4 58.4 74 74 A L E -F 61 0D 89 -13,-1.2 -13,-3.0 -2,-0.1 2,-0.5 -0.819 10.9-148.4-175.0 134.2 7.9 -34.6 56.6 75 75 A V E -F 60 0D 15 -2,-0.2 2,-1.0 -15,-0.2 -15,-0.2 -0.952 12.8-140.5-117.4 131.1 11.7 -35.0 56.5 76 76 A D + 0 0 26 -17,-2.3 3,-0.4 -2,-0.5 4,-0.2 -0.710 28.8 164.4 -92.2 92.8 14.2 -32.1 56.2 77 77 A F > + 0 0 4 -2,-1.0 4,-3.3 74,-0.2 5,-0.4 0.347 36.6 119.3 -89.6 6.8 17.0 -33.2 53.9 78 78 A R H > S+ 0 0 161 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.872 80.2 45.7 -34.7 -57.0 18.3 -29.7 53.2 79 79 A E H > S+ 0 0 64 -3,-0.4 4,-1.9 1,-0.2 3,-0.4 0.931 114.8 47.5 -55.9 -49.2 21.6 -30.6 54.7 80 80 A L H > S+ 0 0 0 1,-0.2 4,-1.1 -4,-0.2 -2,-0.2 0.957 106.4 57.2 -58.1 -51.9 21.7 -33.9 52.8 81 81 A N H < S+ 0 0 39 -4,-3.3 -1,-0.2 1,-0.3 3,-0.2 0.801 106.9 50.3 -50.0 -33.7 20.8 -32.1 49.5 82 82 A K H < S+ 0 0 120 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.939 111.4 46.9 -70.2 -46.9 23.8 -29.9 49.9 83 83 A R H < S+ 0 0 58 -4,-1.9 -70,-2.7 -3,-0.2 -2,-0.2 0.526 95.9 100.8 -73.1 -6.7 26.1 -32.8 50.5 84 84 A T B < S-A 12 0A 0 -4,-1.1 -72,-0.2 -72,-0.3 -74,-0.0 -0.530 77.1-106.9 -85.9 148.5 24.7 -34.8 47.6 85 85 A Q - 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0 0 28 -2,-0.5 3,-3.5 1,-0.1 4,-0.5 -0.827 12.2-130.1 -95.1 128.6 5.2 -26.6 23.7 97 97 A P G > S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 222,-0.3 0.811 106.3 67.3 -41.8 -40.1 1.6 -27.4 22.8 98 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 220,-0.1 221,-0.1 0.621 97.6 56.5 -61.0 -8.5 2.2 -26.3 19.2 99 99 A G G < S+ 0 0 5 -3,-3.5 -1,-0.3 219,-0.1 2,-0.1 0.642 86.4 99.2 -96.3 -16.7 4.5 -29.3 19.0 100 100 A L < - 0 0 36 -3,-1.8 219,-2.9 -4,-0.5 2,-0.2 -0.358 69.4-131.1 -70.1 148.4 1.8 -31.8 20.0 101 101 A K B -g 319 0E 109 217,-0.2 2,-0.2 1,-0.1 219,-0.2 -0.634 30.6 -93.5 -97.7 159.1 0.1 -33.9 17.3 102 102 A K - 0 0 123 217,-0.8 2,-0.3 -2,-0.2 135,-0.2 -0.521 45.2-173.6 -75.9 137.6 -3.7 -34.3 17.1 103 103 A N - 0 0 25 133,-1.8 89,-0.2 -2,-0.2 3,-0.1 -0.944 33.0-138.7-131.4 152.2 -5.2 -37.3 18.8 104 104 A K S S+ 0 0 134 87,-1.4 2,-0.3 -2,-0.3 88,-0.2 0.952 92.7 3.6 -71.4 -48.0 -8.7 -38.9 19.0 105 105 A S E +H 191 0F 21 86,-2.2 86,-3.0 88,-0.1 2,-0.3 -0.975 63.7 174.7-140.7 151.5 -8.2 -39.6 22.7 106 106 A V E -H 190 0F 32 -2,-0.3 2,-0.3 84,-0.3 84,-0.3 -0.989 5.8-170.1-152.9 151.4 -5.7 -38.9 25.4 107 107 A T E -H 189 0F 3 82,-2.6 82,-2.5 -2,-0.3 2,-0.5 -0.993 18.0-133.5-144.5 146.5 -5.5 -39.5 29.2 108 108 A V E -HI 188 223F 3 115,-0.9 2,-0.7 -2,-0.3 115,-0.6 -0.874 12.0-155.5-105.1 134.4 -3.1 -38.3 31.8 109 109 A L E -H 187 0F 0 78,-3.6 78,-0.6 -2,-0.5 2,-0.5 -0.881 7.2-153.7-113.8 101.6 -1.7 -40.7 34.4 110 110 A D E +H 186 0F 59 -2,-0.7 76,-0.2 76,-0.2 3,-0.1 -0.610 17.7 174.7 -73.9 120.7 -0.6 -39.0 37.5 111 111 A V > + 0 0 5 74,-3.2 3,-0.9 -2,-0.5 2,-0.5 0.856 23.4 142.0 -93.4 -45.5 2.1 -41.2 39.1 112 112 A G G > + 0 0 19 73,-1.2 3,-1.5 1,-0.3 -1,-0.1 -0.156 66.2 49.0 45.4 -93.4 3.1 -38.9 42.0 113 113 A D G > S+ 0 0 126 -2,-0.5 3,-1.2 1,-0.3 4,-0.3 0.598 81.9 101.3 -51.1 -13.9 3.7 -41.2 45.0 114 114 A A G X> + 0 0 0 -3,-0.9 3,-1.9 1,-0.3 4,-1.4 0.710 63.6 76.6 -47.1 -24.3 5.9 -43.3 42.6 115 115 A Y G X4 S+ 0 0 25 -3,-1.5 3,-1.4 1,-0.3 34,-0.7 0.976 93.2 48.8 -50.2 -59.9 8.9 -41.6 44.3 116 116 A F G <4 S+ 0 0 43 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.501 106.4 62.6 -58.9 -3.6 8.4 -43.8 47.3 117 117 A S G <4 S+ 0 0 4 -3,-1.9 -114,-3.0 -4,-0.3 -1,-0.3 0.817 84.4 82.5 -92.3 -34.7 8.2 -46.7 44.8 118 118 A V S << S- 0 0 3 -4,-1.4 31,-3.4 -3,-1.4 2,-0.1 -0.596 83.0-123.5 -79.4 123.3 11.8 -46.4 43.4 119 119 A P B -K 148 0G 11 0, 0.0 -111,-0.4 0, 0.0 29,-0.3 -0.355 23.2-129.0 -64.9 136.5 14.5 -48.1 45.5 120 120 A L - 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