==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-SEP-07 2R8N . COMPND 2 MOLECULE: POL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR R.M.COMAN,A.H.ROBBINS,R.MCKENNA,B.M.DUNN . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 30.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 . 14 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 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 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 0 133 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.4 50.5 57.9 -7.1 2 2 A Q - 0 0 181 2,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.990 360.0-164.0-112.0 116.2 50.1 57.8 -3.4 3 3 A I - 0 0 76 -2,-0.5 2,-0.1 6,-0.0 0, 0.0 -0.907 5.2-153.7-112.5 119.1 46.7 56.3 -2.6 4 4 A T - 0 0 89 -2,-0.6 3,-0.2 1,-0.1 -2,-0.0 -0.370 16.0-131.7 -81.7 171.1 45.1 56.7 0.8 5 5 A L S S+ 0 0 120 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.056 71.1 111.3-119.9 20.2 42.6 54.2 2.0 6 6 A W S S+ 0 0 240 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.796 91.4 27.8 -66.6 -26.4 39.6 56.2 3.3 7 7 A K S S- 0 0 175 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.831 111.9 -74.4-122.4 168.2 37.6 54.8 0.4 8 8 A R - 0 0 200 -2,-0.3 2,-2.4 1,-0.1 -2,-0.1 -0.406 50.3-116.1 -55.9 134.9 38.0 51.5 -1.6 9 9 A P + 0 0 26 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.403 51.2 166.8 -80.9 71.9 41.1 51.8 -3.8 10 10 A L E +A 23 0A 73 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.685 8.7 179.3 -85.5 135.3 39.3 51.5 -7.1 11 11 A V E -A 22 0A 16 11,-2.8 11,-2.6 -2,-0.4 2,-0.4 -0.933 31.6-113.6-133.1 157.5 41.2 52.5 -10.2 12 12 A S E -A 21 0A 78 -2,-0.3 55,-0.6 9,-0.2 2,-0.4 -0.794 38.7-169.3 -83.6 133.5 40.6 52.6 -13.9 13 13 A I E -AB 20 66A 1 7,-3.2 7,-2.4 -2,-0.4 2,-0.5 -0.943 20.6-137.6-127.0 148.8 42.7 50.1 -15.8 14 14 A K E +AB 19 65A 110 51,-2.3 51,-1.8 -2,-0.4 2,-0.3 -0.924 38.2 152.4 -97.2 128.9 43.5 49.5 -19.4 15 15 A V E > -AB 18 64A 3 3,-2.2 3,-2.3 -2,-0.5 49,-0.1 -0.952 61.8 -2.6-157.1 132.7 43.4 45.8 -20.4 16 16 A G T 3 S- 0 0 39 47,-0.6 21,-0.2 -2,-0.3 3,-0.1 0.766 125.9 -57.8 60.8 29.4 42.7 44.0 -23.7 17 17 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.589 121.8 97.0 73.1 9.7 41.9 47.2 -25.5 18 18 A Q E < S-A 15 0A 116 -3,-2.3 -3,-2.2 2,-0.0 2,-0.4 -0.711 71.5-123.4-119.2 171.1 39.2 47.9 -23.0 19 19 A I E +A 14 0A 99 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.981 32.5 174.0-116.7 132.1 38.8 50.0 -19.8 20 20 A K E -A 13 0A 49 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.4 -0.939 29.5-124.8-131.4 157.2 37.8 48.3 -16.6 21 21 A E E +A 12 0A 124 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.852 38.5 170.6 -99.0 139.9 37.4 49.4 -13.0 22 22 A A E -A 11 0A 0 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.5 -0.983 31.7-115.9-151.2 159.8 39.3 47.3 -10.5 23 23 A L E -Ac 10 84A 30 60,-2.9 62,-3.0 -2,-0.3 2,-0.8 -0.829 21.9-131.5-100.5 126.3 40.3 47.2 -6.8 24 24 A L E - c 0 85A 32 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.678 37.0-176.1 -76.2 110.5 43.9 47.3 -5.7 25 25 A D > + 0 0 47 60,-2.8 3,-1.9 -2,-0.8 62,-0.3 -0.839 28.9 179.7-126.2 97.6 43.9 44.4 -3.3 26 26 A T T 3 S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.661 86.6 65.0 -67.6 -18.5 47.0 43.5 -1.2 27 27 A G T 3 S+ 0 0 69 59,-0.0 2,-0.4 60,-0.0 -1,-0.3 0.397 89.7 80.6 -79.5 -5.1 44.9 40.7 0.3 28 28 A A < - 0 0 19 -3,-1.9 59,-3.1 57,-0.2 60,-0.2 -0.920 59.3-161.5-109.9 130.5 44.7 38.9 -3.1 29 29 A D S S+ 0 0 96 -2,-0.4 59,-1.5 57,-0.2 2,-0.2 0.865 76.9 38.7 -69.0 -39.2 47.4 36.7 -4.5 30 30 A D S S- 0 0 58 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.665 78.4-115.1-119.8 164.7 46.0 36.9 -8.1 31 31 A T - 0 0 0 43,-0.4 45,-2.8 -2,-0.2 2,-0.4 -0.897 31.5-175.1-104.7 124.5 44.4 39.3 -10.5 32 32 A V E +dE 76 84A 15 52,-1.6 52,-2.7 -2,-0.5 2,-0.4 -0.986 4.7 177.0-130.1 124.7 40.8 38.4 -11.5 33 33 A I E -d 77 0A 0 43,-2.6 45,-1.5 -2,-0.4 2,-0.3 -0.988 20.1-135.8-130.6 135.1 38.8 40.3 -14.1 34 34 A E S S+ 0 0 62 -2,-0.4 49,-0.1 43,-0.2 43,-0.1 -0.758 73.6 3.5 -90.4 143.0 35.3 39.6 -15.4 35 35 A E S S+ 0 0 149 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.929 83.1 134.9 61.1 57.8 34.2 39.6 -19.0 36 36 A I - 0 0 12 -3,-0.3 2,-0.5 -18,-0.0 -1,-0.2 -0.995 48.8-136.2-139.2 135.6 37.3 40.4 -21.1 37 37 A A - 0 0 89 -2,-0.4 0, 0.0 -21,-0.2 0, 0.0 -0.785 31.9-178.8 -87.7 123.8 38.6 38.8 -24.3 38 38 A L - 0 0 19 -2,-0.5 2,-0.1 2,-0.1 24,-0.0 -0.935 22.6-115.6-125.8 150.1 42.4 38.2 -24.0 39 39 A P + 0 0 94 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.444 66.5 38.4 -83.5 162.5 44.9 36.8 -26.4 40 40 A G S S- 0 0 66 -2,-0.1 2,-0.5 19,-0.1 -2,-0.1 -0.382 93.9 -41.5 97.0-178.3 46.9 33.6 -26.1 41 41 A R - 0 0 228 -2,-0.1 19,-0.5 19,-0.1 2,-0.2 -0.736 56.2-165.6 -86.6 126.7 46.5 30.1 -24.7 42 42 A W - 0 0 119 -2,-0.5 17,-0.2 17,-0.1 15,-0.1 -0.701 6.8-160.8-106.0 163.6 44.5 29.9 -21.5 43 43 A K E -F 58 0A 118 15,-1.2 15,-3.2 -2,-0.2 2,-0.1 -0.976 30.9 -99.8-137.1 149.3 44.2 27.0 -19.1 44 44 A P E -F 57 0A 87 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.381 38.1-172.3 -68.0 148.5 41.5 26.5 -16.5 45 45 A K E -F 56 0A 68 11,-2.3 11,-2.6 -2,-0.1 2,-0.5 -0.994 18.1-139.9-138.3 138.0 42.4 27.4 -12.9 46 46 A M E -F 55 0A 95 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.870 29.7-179.0 -97.3 123.7 40.4 26.7 -9.7 47 47 A I E +F 54 0A 32 7,-2.8 7,-2.3 -2,-0.5 2,-0.7 -0.807 43.0 32.8-121.8 168.7 40.5 29.6 -7.3 48 48 A G E -F 53 0A 70 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.866 48.0-175.8 95.2-116.7 39.1 30.3 -3.9 49 49 A G + 0 0 34 3,-2.7 2,-1.2 -2,-0.7 4,-0.2 -0.023 50.2 107.4 109.0 -25.2 38.9 27.3 -1.7 50 50 A I S S- 0 0 177 1,-0.2 -1,-0.1 2,-0.1 3,-0.0 -0.718 108.3 -10.6 -90.4 96.7 37.2 28.8 1.3 51 51 A G S S- 0 0 91 -2,-1.2 2,-0.3 -3,-0.1 -1,-0.2 0.276 137.8 -33.4 101.2 -12.2 33.7 27.3 1.0 52 52 A G S S- 0 0 43 2,-0.0 -3,-2.7 0, 0.0 2,-0.3 -0.875 70.2 -88.9 146.1 174.9 34.3 26.0 -2.6 53 53 A F E -F 48 0A 130 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.915 20.3-147.8-122.2 153.1 36.2 26.8 -5.7 54 54 A I E -F 47 0A 90 -7,-2.3 -7,-2.8 -2,-0.3 2,-0.4 -0.955 19.5-130.8-115.6 135.9 35.4 28.8 -8.9 55 55 A K E +F 46 0A 143 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.737 33.8 169.8 -85.0 132.6 36.8 27.9 -12.3 56 56 A V E -F 45 0A 3 -11,-2.6 -11,-2.3 -2,-0.4 2,-0.5 -0.843 36.6-107.0-133.3 168.7 38.5 30.7 -14.2 57 57 A R E -FG 44 77A 103 20,-2.6 20,-2.8 -2,-0.3 2,-0.6 -0.916 30.0-145.5-101.6 124.4 40.6 31.0 -17.4 58 58 A Q E -FG 43 76A 30 -15,-3.2 -15,-1.2 -2,-0.5 2,-0.5 -0.811 16.8-177.1 -95.9 121.3 44.3 31.7 -16.8 59 59 A Y E - G 0 75A 10 16,-2.5 16,-2.6 -2,-0.6 3,-0.3 -0.949 13.6-150.0-115.3 130.0 46.0 33.9 -19.3 60 60 A D E + 0 0 79 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.587 67.0 18.9 -98.3 158.0 49.8 34.6 -18.9 61 61 A Q E S+ 0 0 165 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.872 76.9 162.0 53.8 51.0 51.9 37.6 -19.9 62 62 A I E - G 0 73A 10 11,-2.7 11,-2.3 -3,-0.3 2,-0.5 -0.789 33.7-131.6 -97.2 139.0 49.0 40.1 -20.2 63 63 A I E + G 0 72A 95 -2,-0.4 -47,-0.6 9,-0.2 2,-0.3 -0.779 28.0 174.4 -93.8 127.7 49.7 43.8 -20.2 64 64 A I E -BG 15 71A 2 7,-2.8 7,-2.2 -2,-0.5 2,-0.4 -0.873 16.1-150.3-121.5 162.8 47.7 46.1 -18.0 65 65 A E E +BG 14 70A 42 -51,-1.8 -51,-2.3 -2,-0.3 2,-0.4 -0.994 14.0 176.8-137.5 133.6 48.1 49.8 -17.4 66 66 A I E > S-BG 13 69A 9 3,-2.5 3,-2.3 -2,-0.4 -53,-0.1 -0.997 73.8 -12.7-137.1 126.6 47.1 51.7 -14.2 67 67 A C T 3 S- 0 0 85 -55,-0.6 -1,-0.1 -2,-0.4 3,-0.1 0.850 130.6 -51.5 49.9 41.5 47.7 55.4 -13.6 68 68 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.461 115.5 114.6 82.7 -1.5 50.0 55.5 -16.6 69 69 A K E < - G 0 66A 107 -3,-2.3 -3,-2.5 2,-0.0 2,-0.2 -0.914 55.1-144.7-111.3 130.2 52.2 52.6 -15.5 70 70 A K E - G 0 65A 136 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.606 17.0-179.0 -93.5 150.2 52.3 49.3 -17.4 71 71 A A E - G 0 64A 4 -7,-2.2 -7,-2.8 -2,-0.2 2,-0.4 -0.989 13.1-150.3-147.0 143.3 52.6 45.9 -15.8 72 72 A I E + G 0 63A 81 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.961 41.3 98.4-121.9 131.5 52.8 42.4 -17.3 73 73 A G E - G 0 62A 14 -11,-2.3 -11,-2.7 -2,-0.4 2,-0.3 -0.978 66.6 -35.8 179.1-170.2 51.5 39.3 -15.7 74 74 A T E - 0 0 39 -2,-0.3 2,-0.5 -13,-0.2 -43,-0.4 -0.557 42.5-167.2 -77.3 135.8 48.8 36.7 -15.3 75 75 A V E - G 0 59A 0 -16,-2.6 -16,-2.5 -2,-0.3 2,-0.5 -0.988 8.6-151.9-121.5 126.7 45.2 37.7 -15.6 76 76 A L E -dG 32 58A 2 -45,-2.8 -43,-2.6 -2,-0.5 2,-0.5 -0.857 12.0-156.0 -95.2 130.6 42.5 35.2 -14.5 77 77 A V E +dG 33 57A 2 -20,-2.8 -20,-2.6 -2,-0.5 -43,-0.2 -0.922 41.8 93.3-112.0 123.7 39.2 35.8 -16.3 78 78 A G S S- 0 0 10 -45,-1.5 -22,-0.1 -2,-0.5 2,-0.1 -0.979 77.2 -38.8 174.4-179.4 36.0 34.6 -14.7 79 79 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 -46,-0.0 -0.346 59.5 156.6 -65.8 133.5 33.1 35.7 -12.6 80 80 A T - 0 0 21 -2,-0.1 -46,-0.1 1,-0.1 3,-0.1 -0.933 44.6-134.5-154.7 135.1 34.0 38.1 -9.7 81 81 A P S S+ 0 0 142 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.813 99.0 16.3 -60.7 -30.8 31.8 40.6 -7.9 82 82 A V S S- 0 0 55 -3,-0.1 2,-0.2 -59,-0.0 -60,-0.1 -0.993 91.0-110.2-139.0 138.8 34.6 43.2 -8.1 83 83 A N - 0 0 25 -62,-0.4 -60,-2.9 -2,-0.3 2,-0.4 -0.566 39.9-148.8 -70.3 136.9 37.6 43.1 -10.5 84 84 A I E -cE 23 32A 18 -52,-2.7 -52,-1.6 -62,-0.2 2,-0.8 -0.952 19.6-159.8-119.5 127.7 40.7 42.5 -8.4 85 85 A I E -c 24 0A 0 -62,-3.0 -60,-2.8 -2,-0.4 -57,-0.2 -0.921 32.5-170.1 -99.3 105.4 44.3 43.7 -8.9 86 86 A G >> - 0 0 0 -2,-0.8 4,-2.5 -62,-0.2 3,-1.4 -0.255 38.5 -82.5 -94.4-177.8 46.3 41.3 -6.8 87 87 A R H 3> S+ 0 0 115 -59,-3.1 4,-2.7 -62,-0.3 5,-0.3 0.787 119.9 67.4 -60.2 -31.1 49.8 41.0 -5.6 88 88 A N H 3> S+ 0 0 37 -59,-1.5 4,-0.6 1,-0.2 -1,-0.3 0.883 114.3 31.3 -58.8 -35.7 51.1 39.4 -8.9 89 89 A M H <> S+ 0 0 0 -3,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.817 114.7 59.2 -88.0 -36.5 50.3 42.7 -10.7 90 90 A L H <>S+ 0 0 11 -4,-2.5 5,-2.6 1,-0.2 4,-0.4 0.914 105.6 50.8 -59.9 -37.1 51.0 45.1 -7.7 91 91 A T H ><5S+ 0 0 87 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.903 107.8 52.1 -65.4 -39.9 54.5 43.8 -7.5 92 92 A Q H 3<5S+ 0 0 110 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.837 108.4 52.5 -65.5 -30.7 55.0 44.4 -11.3 93 93 A L T 3<5S- 0 0 19 -4,-1.8 -1,-0.3 -22,-0.1 -2,-0.2 0.549 114.9-118.4 -77.5 -9.7 53.8 48.0 -10.8 94 94 A G T < 5 + 0 0 54 -3,-1.2 2,-0.4 -4,-0.4 -3,-0.2 0.818 55.5 167.3 73.0 30.4 56.4 48.5 -8.0 95 95 A C < + 0 0 65 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.663 9.2 177.3 -85.2 131.7 53.5 49.0 -5.5 96 96 A T - 0 0 99 -2,-0.4 2,-0.4 2,-0.0 -5,-0.0 -0.871 30.8-120.6-124.7 160.1 54.3 49.0 -1.8 97 97 A L - 0 0 116 -2,-0.3 2,-0.4 -71,-0.0 -2,-0.0 -0.870 35.0-170.0 -93.2 136.1 52.4 49.6 1.5 98 98 A N 0 0 126 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.992 360.0 360.0-135.4 131.3 53.8 52.5 3.5 99 99 A F 0 0 270 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.290 360.0 360.0-156.1 360.0 53.2 53.6 7.0