==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-AUG-10 3O9D . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER,M.N.L.NALAM . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.4 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 . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 23 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 2 2 3 0 0 2 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 . 0 0 1 0 0 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 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 68 0, 0.0 198,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 167.7 27.6 22.1 34.7 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.956 360.0-163.5-103.7 129.3 23.8 22.5 34.5 3 3 A I E -A 197 0A 32 194,-3.3 194,-2.6 -2,-0.5 2,-0.1 -0.963 3.6-155.2-122.8 117.4 22.9 25.6 32.6 4 4 A T - 0 0 69 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.371 16.3-130.0 -83.4 173.0 19.4 27.2 32.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.145 76.3 103.7-122.4 20.2 18.1 29.4 30.1 6 6 A W S S+ 0 0 187 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.753 95.5 34.8 -68.8 -24.6 16.7 32.5 31.7 7 7 A K S S- 0 0 67 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.862 110.3 -83.1-119.0 160.4 20.0 34.1 30.3 8 8 A R - 0 0 136 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.423 44.9-116.6 -59.0 134.1 21.8 33.3 27.0 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.439 51.6 167.9 -74.4 73.3 24.0 30.3 27.5 10 10 A L E +D 23 0B 74 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.672 7.1 176.4 -87.4 137.7 27.3 32.1 26.9 11 11 A V E -D 22 0B 12 11,-2.8 11,-2.9 -2,-0.3 2,-0.4 -0.950 33.0-108.4-136.9 159.3 30.5 30.4 27.7 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.741 36.9-170.7 -85.4 134.9 34.2 31.2 27.4 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.0 -2,-0.4 2,-0.4 -0.863 15.0-143.5-119.5 157.8 36.0 29.1 24.7 14 14 A R E +DE 19 65B 108 51,-2.2 51,-2.3 -2,-0.3 2,-0.3 -0.995 29.2 159.6-124.3 125.5 39.7 28.8 24.0 15 15 A I E > -DE 18 64B 1 3,-2.3 3,-2.2 -2,-0.4 49,-0.1 -0.990 67.2 -3.2-150.2 132.6 40.8 28.5 20.4 16 16 A G T 3 S- 0 0 54 47,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.845 129.9 -59.0 51.2 34.2 44.1 29.1 18.6 17 17 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.540 115.1 113.6 74.1 8.9 45.3 30.3 22.1 18 18 A Q E < -D 15 0B 121 -3,-2.2 -3,-2.3 2,-0.0 2,-0.5 -0.883 62.0-132.0-115.0 144.5 42.7 33.0 22.3 19 19 A L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.830 34.0 164.8 -94.2 131.5 39.7 33.4 24.7 20 20 A K E -D 13 0B 56 -7,-2.0 -7,-3.0 -2,-0.5 2,-0.4 -0.914 36.1-116.4-137.8 161.1 36.3 34.3 23.2 21 21 A E E +D 12 0B 119 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.872 37.4 178.1-100.6 134.5 32.7 34.2 24.3 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.8 -2,-0.4 2,-0.5 -0.959 26.6-120.2-140.0 156.2 30.4 31.8 22.4 23 23 A L E -Df 10 84B 11 60,-2.8 62,-3.0 -2,-0.3 2,-0.7 -0.829 21.1-129.4-101.4 124.7 26.8 30.8 22.6 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.656 35.4-174.1 -72.7 116.2 25.8 27.2 23.2 25 25 A D > + 0 0 18 60,-2.7 3,-2.0 -2,-0.7 62,-0.3 -0.806 25.2 177.8-129.0 90.1 23.4 26.7 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.702 84.8 62.5 -66.4 -19.3 21.4 23.4 20.2 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.449 88.8 86.1 -82.2 -4.1 19.6 24.8 17.1 28 28 A A < - 0 0 12 -3,-2.0 59,-3.1 57,-0.2 60,-0.2 -0.898 57.3-166.5-101.5 123.5 22.9 25.0 15.2 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.866 78.6 39.2 -63.9 -40.9 24.2 21.8 13.3 30 30 A D S S- 0 0 67 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.750 84.2-113.1-117.2 158.9 27.5 23.5 12.9 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.3 2,-0.4 -0.815 34.9-175.3 -92.3 124.5 29.9 25.7 14.9 32 32 A V E -gH 76 84B 2 52,-1.4 52,-2.9 -2,-0.5 2,-0.3 -0.985 2.8-170.9-129.0 123.0 30.3 29.1 13.4 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.4 -2,-0.4 47,-0.2 -0.847 28.8-104.5-113.4 148.2 32.7 31.8 14.6 34 34 A E - 0 0 88 -2,-0.3 -1,-0.1 43,-0.2 48,-0.0 -0.150 67.1 -55.0 -61.8 163.2 33.0 35.5 13.7 35 35 A E S S+ 0 0 117 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.108 80.1 136.8 -47.9 131.0 35.8 36.6 11.4 36 36 A M - 0 0 20 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.951 53.6 -99.4-163.7 165.0 39.2 35.5 12.8 37 37 A N + 0 0 145 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.851 37.2 176.4 -94.5 132.7 42.5 34.0 11.7 38 38 A L - 0 0 16 -2,-0.5 -2,-0.0 2,-0.1 39,-0.0 -0.990 29.3-111.0-129.4 147.2 43.0 30.3 12.2 39 39 A P + 0 0 102 0, 0.0 -23,-0.0 0, 0.0 2,-0.0 -0.253 68.8 20.6 -73.7 160.4 46.1 28.3 11.0 40 40 A G S S- 0 0 63 19,-0.1 -2,-0.1 2,-0.0 2,-0.0 -0.173 96.3 -17.1 88.1-173.6 46.2 25.7 8.3 41 41 A K - 0 0 93 19,-0.1 19,-0.4 -2,-0.0 2,-0.3 -0.301 55.3-178.7 -67.1 144.0 44.1 24.7 5.3 42 42 A W - 0 0 128 17,-0.1 17,-0.2 -2,-0.0 -2,-0.0 -0.966 15.9-142.9-138.0 162.1 40.5 25.8 4.9 43 43 A K E -I 58 0B 46 15,-1.9 15,-3.3 -2,-0.3 2,-0.2 -0.977 24.2-115.8-120.8 137.1 37.8 25.2 2.3 44 44 A P E +I 57 0B 110 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.522 47.0 163.4 -65.6 136.3 35.2 27.7 1.0 45 45 A K E -I 56 0B 27 11,-2.5 11,-2.8 -2,-0.2 2,-0.4 -0.922 30.0-133.1-145.8 167.5 31.7 26.6 2.0 46 46 A M E -I 55 0B 126 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.986 19.1-175.6-126.0 139.8 28.1 28.0 2.2 47 47 A I E -I 54 0B 23 7,-2.0 7,-2.7 -2,-0.4 2,-0.4 -0.977 15.0-137.5-132.0 153.2 25.7 27.6 5.1 48 48 A G E +I 53 0B 44 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.859 23.7 166.2-110.7 140.2 22.1 28.7 5.6 49 49 A G E > -I 52 0B 26 3,-2.9 3,-0.8 -2,-0.4 102,-0.1 -0.481 58.7 -63.6-127.7-154.9 20.4 30.2 8.6 50 50 A I T 3 S+ 0 0 31 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.833 131.9 41.7 -70.2 -29.5 17.2 32.0 9.4 51 51 A G T 3 S- 0 0 24 99,-2.1 2,-0.3 1,-0.3 100,-0.2 0.411 121.9 -84.6-100.5 0.0 18.0 35.0 7.1 52 52 A G E < -I 49 0B 27 -3,-0.8 -3,-2.9 98,-0.6 -1,-0.3 -0.892 64.9 -33.9 127.8-158.0 19.5 33.2 4.1 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.713 44.5-172.9-109.2 148.5 22.9 31.9 3.1 54 54 A I E -I 47 0B 18 -7,-2.7 -7,-2.0 -2,-0.3 2,-0.4 -0.895 26.5-113.4-129.4 163.0 26.4 33.1 3.8 55 55 A K E +I 46 0B 167 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.824 39.0 176.5 -93.2 136.7 29.9 32.1 2.7 56 56 A V E -I 45 0B 7 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.5 -0.894 32.3-119.3-133.2 164.3 32.2 30.6 5.4 57 57 A R E -IJ 44 77B 46 20,-2.3 20,-2.2 -2,-0.3 2,-0.7 -0.937 29.7-143.7-101.7 124.5 35.7 29.2 5.6 58 58 A Q E -IJ 43 76B 64 -15,-3.3 -15,-1.9 -2,-0.5 2,-0.5 -0.846 16.1-172.9 -96.7 115.5 35.7 25.6 6.8 59 59 A Y E - J 0 75B 6 16,-2.8 16,-2.7 -2,-0.7 3,-0.4 -0.943 13.5-149.2-104.2 126.7 38.5 24.6 9.1 60 60 A D E + 0 0 90 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.604 65.9 8.4 -97.6 151.6 38.7 20.9 10.0 61 61 A Q E S+ 0 0 163 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.856 78.5 165.9 54.0 47.3 40.0 19.1 13.1 62 62 A I E - J 0 73B 22 11,-2.9 11,-2.4 -3,-0.4 2,-0.2 -0.838 34.3-128.1 -94.6 123.9 40.4 22.3 15.2 63 63 A P E + J 0 72B 80 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 -0.509 33.3 171.7 -69.4 140.5 40.9 22.0 18.9 64 64 A I E -EJ 15 71B 4 7,-2.8 7,-2.1 -2,-0.2 2,-0.6 -0.967 23.8-148.0-155.0 125.6 38.6 24.1 21.0 65 65 A E E -EJ 14 70B 73 -51,-2.3 -51,-2.2 -2,-0.3 2,-0.6 -0.879 15.2-167.6-103.4 122.1 38.1 24.1 24.8 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.0 -2,-0.6 -53,-0.2 -0.948 72.4 -26.2-118.3 109.3 34.6 25.0 25.8 67 67 A C T 3 S- 0 0 62 -55,-2.2 -1,-0.2 -2,-0.6 -54,-0.1 0.876 128.5 -49.1 53.6 37.7 34.0 25.7 29.5 68 68 A G T 3 S+ 0 0 57 -56,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.479 115.3 116.4 84.9 1.6 37.0 23.6 30.3 69 69 A H E < - 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