==== 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/HYDROLASE INHIBITOR 12-AUG-05 2AOE . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (B . AUTHOR Y.TIE,P.I.BOROSS,Y.F.WANG,L.GADDIS,F.LIU,X.CHEN,J.TOZSER, . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.7 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 . 22 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.5 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 3 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 0 0 2 1 3 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 84 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.5 -0.6 38.8 18.1 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.980 360.0-157.3-111.5 122.6 -0.4 36.6 21.1 3 3 A I E -A 197 0A 31 194,-4.2 194,-2.6 -2,-0.5 2,-0.1 -0.894 1.2-152.3-107.0 119.4 0.6 33.1 20.2 4 4 A T - 0 0 71 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.438 13.8-134.8 -82.9 167.1 -0.3 30.3 22.5 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.105 73.4 108.0-115.2 22.6 1.9 27.2 22.4 6 6 A W S S+ 0 0 179 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.831 94.2 25.4 -62.8 -30.7 -0.7 24.4 22.4 7 7 A K S S- 0 0 161 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.788 110.8 -72.1-123.9 169.4 0.4 23.9 18.8 8 8 A R - 0 0 134 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.437 49.1-117.4 -61.6 134.4 3.5 24.7 16.9 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.542 48.9 171.3 -78.5 81.6 3.9 28.5 16.3 10 10 A L E +D 23 0B 76 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.791 6.1 174.2 -97.2 135.5 3.8 28.5 12.5 11 11 A V E -D 22 0B 18 11,-2.9 11,-2.6 -2,-0.4 2,-0.4 -0.910 33.4-107.0-135.0 162.4 3.6 31.6 10.5 12 12 A T E -D 21 0B 85 -2,-0.3 55,-2.7 9,-0.2 2,-0.3 -0.758 38.2-175.3 -88.0 136.1 3.6 32.6 6.9 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.3 -2,-0.4 2,-0.4 -0.862 19.3-144.4-124.2 160.0 6.8 34.4 5.7 14 14 A K E +DE 19 65B 105 51,-2.0 51,-2.8 -2,-0.3 2,-0.3 -0.997 29.3 160.5-127.9 123.1 7.8 36.0 2.4 15 15 A I E > -DE 18 64B 1 3,-2.3 3,-2.4 -2,-0.4 49,-0.1 -0.990 67.9 -2.0-143.4 132.4 11.5 35.6 1.4 16 16 A G T 3 S- 0 0 48 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.800 130.0 -59.0 57.7 27.9 13.0 36.0 -2.0 17 17 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.447 115.0 117.6 80.4 2.1 9.5 36.6 -3.3 18 18 A Q E < -D 15 0B 77 -3,-2.4 -3,-2.3 2,-0.0 2,-0.5 -0.856 61.6-134.7-106.0 135.4 8.4 33.2 -2.1 19 19 A L E +D 14 0B 131 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.783 35.4 166.4 -85.2 132.4 5.7 32.4 0.5 20 20 A K E -D 13 0B 30 -7,-2.3 -7,-3.0 -2,-0.5 2,-0.4 -0.935 35.8-120.7-136.2 159.8 6.8 29.8 3.0 21 21 A E E +D 12 0B 125 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.829 37.8 178.4 -95.8 141.1 5.6 28.5 6.3 22 22 A A E -D 11 0B 2 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.4 -0.988 27.4-119.3-145.8 154.8 8.1 28.8 9.2 23 23 A L E -Df 10 84B 21 60,-2.8 62,-3.1 -2,-0.3 2,-0.7 -0.783 21.4-131.8 -93.9 130.1 8.4 28.0 12.9 24 24 A L E - f 0 85B 1 -15,-2.6 2,-0.6 -2,-0.4 62,-0.2 -0.759 34.0-173.9 -82.6 113.6 9.0 30.8 15.4 25 25 A D > - 0 0 3 60,-2.9 3,-1.7 -2,-0.7 62,-0.3 -0.862 26.4-179.0-125.1 99.3 11.8 29.2 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.683 86.4 63.5 -70.2 -14.4 13.1 31.0 20.5 27 27 A G T 3 S+ 0 0 2 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.396 87.7 85.5 -87.5 3.8 15.6 28.1 20.9 28 28 A A < - 0 0 0 -3,-1.7 59,-2.9 57,-0.2 60,-0.2 -0.913 56.9-165.1-109.4 125.1 17.4 29.0 17.6 29 29 A D S S+ 0 0 29 172,-3.3 59,-1.2 -2,-0.5 2,-0.2 0.861 78.3 38.5 -65.4 -35.6 20.1 31.6 17.5 30 30 A D S S- 0 0 38 171,-0.5 2,-0.4 57,-0.2 57,-0.2 -0.728 82.4-113.3-120.2 159.4 19.8 31.8 13.7 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.7 -2,-0.2 2,-0.4 -0.858 33.6-171.3 -97.3 130.4 17.2 31.7 11.0 32 32 A V E -gH 76 84B 0 52,-1.8 52,-3.0 -2,-0.4 2,-0.3 -0.996 3.3-173.0-133.6 124.8 17.4 28.7 8.7 33 33 A I E -g 77 0B 0 43,-3.1 45,-2.1 -2,-0.4 47,-0.2 -0.899 29.9-103.1-120.4 145.9 15.4 28.1 5.5 34 34 A E - 0 0 81 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.059 68.9 -54.0 -57.1 164.4 15.1 25.1 3.3 35 35 A E S S+ 0 0 112 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.189 80.9 130.9 -55.5 131.5 17.0 25.1 -0.0 36 36 A M - 0 0 18 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.919 55.2 -97.3-164.8 165.4 16.3 28.2 -2.2 37 37 A S - 0 0 93 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.807 36.0-178.9 -96.4 139.4 18.2 30.8 -4.1 38 38 A L - 0 0 16 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.949 29.5-102.9-130.8 154.0 18.9 34.2 -2.6 39 39 A P S S+ 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.387 74.4 20.0 -77.7 157.3 20.7 37.2 -4.1 40 40 A G S S- 0 0 66 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.181 96.4 -30.0 86.2-168.9 24.3 38.3 -3.3 41 41 A R - 0 0 227 19,-0.1 19,-0.5 -2,-0.1 2,-0.3 -0.410 54.0-174.2 -82.7 156.3 27.3 36.6 -1.8 42 42 A W E -I 59 0B 128 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.924 11.3-150.9-142.9 166.9 27.3 33.8 0.8 43 43 A K E -I 58 0B 110 15,-1.3 15,-3.1 -2,-0.3 2,-0.1 -0.975 29.5-101.1-140.0 149.5 29.7 31.9 2.9 44 44 A P E +I 57 0B 78 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.452 42.0 173.4 -73.9 148.0 29.6 28.3 4.2 45 45 A K E -I 56 0B 77 11,-2.1 11,-2.9 -2,-0.1 2,-0.4 -0.971 25.8-137.0-148.4 151.5 28.7 27.7 7.8 46 46 A M E -I 55 0B 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.962 22.3-173.7-110.5 132.8 28.0 24.7 10.1 47 47 A I E -I 54 0B 4 7,-2.4 7,-2.4 -2,-0.4 2,-0.3 -0.959 5.7-158.2-127.8 146.5 25.0 24.8 12.5 48 48 A G E +I 53 0B 0 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.789 24.3 133.3-126.5 163.0 24.1 22.3 15.1 49 49 A G E > -I 52 0B 4 3,-1.7 3,-2.2 -2,-0.3 100,-0.1 -0.864 66.8 -13.4-173.9-157.3 21.2 21.1 17.1 50 50 A I T 3 S+ 0 0 14 1,-0.3 101,-2.2 -2,-0.3 102,-0.7 -0.387 132.4 23.0 -61.8 135.1 19.6 17.8 18.1 51 51 A G T 3 S- 0 0 31 128,-0.5 2,-0.3 100,-0.2 -1,-0.3 0.340 121.3 -87.4 93.8 -12.6 21.1 15.2 15.9 52 52 A G E < -I 49 0B 27 -3,-2.2 -3,-1.7 100,-0.1 2,-0.3 -0.817 65.1 -27.3 115.2-153.2 24.3 17.0 15.0 53 53 A F E -I 48 0B 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.764 36.7-165.9-110.9 151.7 25.3 19.5 12.4 54 54 A I E -I 47 0B 22 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.945 26.1-118.4-128.4 153.8 24.4 20.5 8.9 55 55 A K E +I 46 0B 137 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.797 39.3 173.6 -89.3 133.8 26.2 22.6 6.4 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.857 33.1-113.9-134.0 165.0 24.4 25.8 5.2 57 57 A R E -IJ 44 77B 51 20,-2.6 20,-2.4 -2,-0.3 2,-0.6 -0.921 28.5-143.8-101.9 127.4 25.0 28.9 3.1 58 58 A Q E -IJ 43 76B 30 -15,-3.1 -15,-1.3 -2,-0.5 2,-0.5 -0.856 17.5-176.5 -99.2 117.8 25.0 32.2 5.0 59 59 A Y E -IJ 42 75B 10 16,-2.6 16,-2.6 -2,-0.6 3,-0.3 -0.960 12.8-149.0-111.6 130.3 23.5 35.2 3.3 60 60 A D E + 0 0 70 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.621 68.3 20.1 -99.5 161.7 23.6 38.6 5.0 61 61 A Q E S+ 0 0 161 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.894 77.2 160.1 52.6 50.3 21.3 41.5 4.8 62 62 A I E - J 0 73B 13 11,-2.8 11,-2.0 -3,-0.3 2,-0.4 -0.856 33.5-137.6 -98.0 133.6 18.3 39.6 3.6 63 63 A I E + J 0 72B 94 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.775 24.4 178.7 -94.1 138.1 14.8 41.0 4.0 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-2.3 -2,-0.4 2,-0.6 -0.991 24.2-139.6-132.4 141.3 12.0 38.7 5.2 65 65 A E E -EJ 14 70B 82 -51,-2.8 -51,-2.0 -2,-0.4 2,-0.6 -0.935 20.7-167.1 -98.1 123.5 8.4 39.4 5.9 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.0 -2,-0.6 -53,-0.2 -0.951 70.4 -32.4-117.5 110.2 7.2 37.5 9.0 67 67 A A T 3 S- 0 0 42 -55,-2.7 -1,-0.2 -2,-0.6 -54,-0.1 0.874 129.2 -44.3 48.2 41.8 3.5 37.4 9.6 68 68 A G T 3 S+ 0 0 52 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.407 117.5 112.9 87.0 2.2 3.3 40.8 8.0 69 69 A H E < - J 0 66B 70 -3,-2.0 -3,-3.1 2,-0.0 2,-0.2 -0.902 59.8-139.1-110.0 121.3 6.3 42.3 9.7 70 70 A K E + J 0 65B 135 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.495 28.2 167.9 -77.5 143.8 9.4 43.2 7.7 71 71 A A E - J 0 64B 4 -7,-2.3 -7,-2.6 -2,-0.2 2,-0.4 -0.987 20.3-148.2-146.6 155.9 12.8 42.4 9.2 72 72 A I E + J 0 63B 74 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.984 40.2 96.1-127.5 143.4 16.3 42.3 7.8 73 73 A G E - 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