==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-AUG-10 3O9E . 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) . 9797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 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 . 70 35.4 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 . 25 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 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 4 1 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 69 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 167.9 27.7 22.2 34.6 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.953 360.0-163.3-102.2 128.5 23.9 22.6 34.4 3 3 A I E -A 197 0A 28 194,-3.1 194,-2.4 -2,-0.5 2,-0.1 -0.965 3.5-153.7-120.8 119.6 22.9 25.7 32.5 4 4 A T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.348 15.0-131.0 -85.5 173.1 19.5 27.2 32.8 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.2 185,-0.1 0.165 75.9 103.6-122.8 20.5 18.0 29.4 30.0 6 6 A W S S+ 0 0 186 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.777 95.6 33.5 -70.6 -23.8 16.6 32.5 31.6 7 7 A K S S- 0 0 162 -3,-0.2 0, 0.0 180,-0.0 0, 0.0 -0.848 110.2 -80.8-120.5 163.6 19.8 34.2 30.2 8 8 A R - 0 0 129 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.428 44.8-119.4 -59.8 133.8 21.7 33.4 26.9 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.450 51.0 165.3 -78.1 72.9 24.0 30.4 27.5 10 10 A L E +D 23 0B 79 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.741 8.6 176.1 -90.5 136.5 27.2 32.2 26.8 11 11 A V E -D 22 0B 14 11,-2.7 11,-2.6 -2,-0.4 2,-0.4 -0.922 33.1-103.6-137.5 160.6 30.4 30.6 27.8 12 12 A T E -D 21 0B 64 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.739 36.6-170.0 -85.6 133.5 34.1 31.3 27.4 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.3 -2,-0.4 2,-0.5 -0.879 15.4-143.7-118.7 153.2 36.0 29.3 24.8 14 14 A R E +DE 19 65B 141 51,-2.1 51,-2.2 -2,-0.3 2,-0.4 -0.987 27.9 163.1-117.4 121.6 39.7 29.0 24.2 15 15 A I E > S-D 18 0B 0 3,-2.4 3,-1.9 -2,-0.5 49,-0.1 -0.980 71.3 -11.3-142.7 124.0 40.7 28.7 20.6 16 16 A G T 3 S- 0 0 63 47,-0.4 3,-0.1 -2,-0.4 48,-0.1 0.828 128.0 -55.8 53.3 36.6 44.3 29.3 19.4 17 17 A G T 3 S+ 0 0 56 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.490 115.0 118.3 79.0 1.4 45.3 30.8 22.7 18 18 A Q E < -D 15 0B 118 -3,-1.9 -3,-2.4 2,-0.0 2,-0.5 -0.831 58.9-139.6-106.1 139.1 42.5 33.3 22.5 19 19 A L E +D 14 0B 130 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.868 30.7 167.3 -95.3 127.4 39.6 33.6 24.9 20 20 A K E -D 13 0B 50 -7,-2.3 -7,-3.0 -2,-0.5 2,-0.4 -0.913 34.3-120.8-132.7 159.2 36.2 34.4 23.2 21 21 A E E +D 12 0B 99 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.877 36.2 178.6-100.1 135.6 32.6 34.3 24.3 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.5 -0.981 27.3-119.7-139.6 153.7 30.3 32.0 22.4 23 23 A L E -Df 10 84B 11 60,-2.7 62,-3.0 -2,-0.3 2,-0.7 -0.780 21.4-130.7 -95.1 122.7 26.7 30.9 22.5 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.673 34.6-172.6 -72.6 115.9 25.8 27.3 23.1 25 25 A D > + 0 0 18 60,-2.7 3,-2.0 -2,-0.7 62,-0.3 -0.826 24.7 179.5-126.1 92.8 23.3 26.8 20.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.717 85.2 61.6 -67.7 -18.0 21.4 23.6 20.1 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.370 88.7 86.5 -87.0 3.9 19.6 24.9 16.9 28 28 A A < - 0 0 13 -3,-2.0 59,-3.0 57,-0.2 60,-0.2 -0.917 56.8-166.5-105.0 124.4 22.9 25.1 15.1 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.4 57,-0.2 2,-0.3 0.848 78.6 44.1 -65.0 -38.1 24.2 22.0 13.3 30 30 A D S S- 0 0 66 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.771 82.3-117.7-117.3 154.7 27.5 23.8 12.9 31 31 A T - 0 0 0 43,-0.5 45,-2.4 -2,-0.3 2,-0.4 -0.801 35.6-176.3 -88.7 125.1 30.0 25.8 14.9 32 32 A V E -gH 76 84B 2 52,-1.6 52,-2.8 -2,-0.5 2,-0.3 -0.991 4.4-170.1-132.2 121.4 30.3 29.3 13.4 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.4 -2,-0.4 47,-0.2 -0.855 28.1-105.8-111.8 148.3 32.7 32.0 14.7 34 34 A E - 0 0 91 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.169 67.6 -53.8 -60.2 160.7 33.0 35.6 13.7 35 35 A E S S+ 0 0 116 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.078 80.0 137.4 -43.0 128.9 35.9 36.7 11.5 36 36 A M - 0 0 23 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.948 53.3 -98.4-164.2 164.0 39.2 35.7 13.0 37 37 A N + 0 0 146 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.816 37.4 174.8 -95.0 133.6 42.5 34.2 11.8 38 38 A L - 0 0 18 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.988 28.8-115.8-131.5 144.5 43.1 30.4 12.1 39 39 A P + 0 0 108 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.376 66.9 29.4 -79.8 160.5 46.1 28.6 10.8 40 40 A G S S- 0 0 62 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.239 95.6 -25.7 94.6-177.0 46.2 25.9 8.1 41 41 A K - 0 0 94 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.345 55.9-175.4 -70.8 145.4 44.1 25.0 5.1 42 42 A W - 0 0 126 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.943 15.7-138.8-135.5 163.0 40.5 26.0 4.8 43 43 A K E -I 58 0B 43 15,-1.8 15,-3.0 -2,-0.3 2,-0.2 -0.975 24.3-115.2-120.4 135.6 37.7 25.3 2.2 44 44 A P E +I 57 0B 110 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.516 46.7 167.3 -62.0 135.6 35.2 27.9 1.0 45 45 A K E -I 56 0B 25 11,-2.4 11,-2.9 -2,-0.2 2,-0.4 -0.934 27.8-139.9-143.8 162.7 31.7 26.8 2.1 46 46 A M E -I 55 0B 127 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.986 18.5-177.7-124.7 143.0 28.2 28.3 2.2 47 47 A I E -I 54 0B 23 7,-2.0 7,-2.6 -2,-0.4 2,-0.4 -0.977 16.4-135.5-136.4 153.0 25.7 27.8 5.0 48 48 A G E +I 53 0B 43 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.872 22.9 169.7-111.2 140.6 22.1 29.0 5.5 49 49 A G E > -I 52 0B 25 3,-2.9 3,-0.9 101,-0.4 102,-0.1 -0.456 57.8 -64.9-125.7-159.1 20.5 30.5 8.6 50 50 A I T 3 S+ 0 0 32 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.811 132.4 40.6 -64.6 -28.1 17.2 32.2 9.4 51 51 A G T 3 S- 0 0 24 99,-2.2 2,-0.3 1,-0.3 100,-0.2 0.373 121.6 -84.2-106.6 5.9 17.9 35.1 7.1 52 52 A G E < -I 49 0B 27 -3,-0.9 -3,-2.9 98,-0.6 -1,-0.3 -0.896 64.1 -30.9 127.1-159.1 19.6 33.4 4.1 53 53 A F E -I 48 0B 150 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.756 43.8-174.9-108.9 146.2 23.0 32.2 3.1 54 54 A I E -I 47 0B 19 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.4 -0.903 26.9-114.9-130.0 159.2 26.5 33.3 3.9 55 55 A K E +I 46 0B 163 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.801 38.4 176.2 -90.5 137.1 30.0 32.4 2.8 56 56 A V E -I 45 0B 7 -11,-2.9 -11,-2.4 -2,-0.4 2,-0.5 -0.898 32.3-120.0-133.3 164.6 32.3 30.9 5.4 57 57 A R E -IJ 44 77B 44 20,-2.4 20,-2.3 -2,-0.3 2,-0.6 -0.947 29.6-144.3-103.3 126.9 35.8 29.5 5.6 58 58 A Q E -IJ 43 76B 58 -15,-3.0 -15,-1.8 -2,-0.5 2,-0.5 -0.840 16.6-174.4 -98.2 118.3 35.7 25.8 6.8 59 59 A Y E - J 0 75B 8 16,-3.0 16,-2.8 -2,-0.6 3,-0.3 -0.955 12.7-150.3-109.8 128.5 38.6 24.8 9.1 60 60 A D E + 0 0 92 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.652 67.1 12.7-100.1 154.6 38.7 21.1 10.1 61 61 A Q E S+ 0 0 163 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.877 77.1 162.4 51.3 49.8 40.1 19.4 13.2 62 62 A I E - J 0 73B 21 11,-2.7 11,-2.1 -3,-0.3 2,-0.3 -0.862 35.9-128.9 -97.0 124.5 40.5 22.7 15.3 63 63 A P E + J 0 72B 82 0, 0.0 -47,-0.4 0, 0.0 2,-0.3 -0.565 30.9 174.2 -69.5 133.5 40.8 22.3 19.0 64 64 A I E - J 0 71B 4 7,-2.2 7,-2.1 -2,-0.3 2,-0.6 -0.985 23.0-148.7-136.7 132.4 38.4 24.4 21.2 65 65 A E E -EJ 14 70B 73 -51,-2.2 -51,-2.1 -2,-0.3 2,-0.7 -0.912 18.1-164.6 -98.8 121.4 38.1 24.2 24.9 66 66 A I E > S-EJ 13 69B 0 3,-3.3 3,-2.1 -2,-0.6 -53,-0.2 -0.914 70.0 -29.6-114.8 107.6 34.5 25.0 25.8 67 67 A C T 3 S- 0 0 53 -55,-2.2 -1,-0.2 -2,-0.7 -54,-0.1 0.904 128.9 -45.8 52.2 41.8 33.9 25.9 29.4 68 68 A G T 3 S+ 0 0 50 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.397 116.7 113.7 84.2 -3.7 36.8 23.6 30.3 69 69 A H E < - 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0 0 7 -2,-2.6 -45,-0.1 -47,-0.2 3,-0.1 -0.644 53.8-125.1 -78.2 146.4 27.6 35.1 12.0 81 81 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.766 91.9 4.3 -62.2 -26.8 25.8 37.7 14.3 82 82 A V S S- 0 0 52 -50,-0.1 2,-0.2 -59,-0.0 -50,-0.1 -0.983 91.0 -88.6-152.2 152.4 27.5 36.0 17.3 83 83 A N - 0 0 10 -62,-0.3 -60,-2.7 -2,-0.3 2,-0.4 -0.499 51.5-168.0 -60.7 128.0 30.0 33.2 17.9 84 84 A I E -fH 23 32B 8 -52,-2.8 -52,-1.6 -62,-0.2 2,-0.7 -0.981 22.7-148.7-128.8 136.1 28.0 30.0 18.2 85 85 A I E -f 24 0B 0 -62,-3.0 -60,-2.7 -2,-0.4 -57,-0.2 -0.917 30.0-164.8 -97.8 115.3 28.9 26.5 19.3 86 86 A G >> - 0 0 0 -2,-0.7 4,-2.3 -62,-0.1 3,-1.6 -0.338 36.7 -83.7 -97.2-178.7 26.8 24.0 17.3 87 87 A R H 3> S+ 0 0 27 -59,-3.0 4,-2.3 -62,-0.3 5,-0.3 0.750 117.0 71.3 -62.4 -28.0 25.9 20.4 17.7 88 88 A N H 34 S+ 0 0 42 -59,-1.4 4,-0.4 1,-0.2 -1,-0.3 0.866 116.1 24.9 -56.1 -34.5 29.1 19.1 16.0 89 89 A L H <> S+ 0 0 0 -3,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.720 114.3 64.9-101.6 -26.7 31.0 20.3 19.1 90 90 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.3 0.900 102.8 52.0 -61.9 -36.2 28.2 20.1 21.7 91 91 A T T ><5S+ 0 0 31 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.905 105.1 55.4 -64.3 -39.0 28.1 16.4 21.2 92 92 A Q T 345S+ 0 0 94 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.850 108.2 47.3 -64.8 -34.3 31.9 16.1 21.7 93 93 A I T 3<5S- 0 0 11 -4,-1.6 -1,-0.3 -24,-0.1 -2,-0.2 0.382 118.5-110.9 -89.0 5.4 31.6 17.8 25.2 94 94 A G T < 5 + 0 0 48 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.739 56.2 167.9 77.7 28.4 28.7 15.6 26.2 95 95 A C < + 0 0 3 -5,-2.6 10,-0.4 -6,-0.2 2,-0.3 -0.534 4.9 171.0 -81.6 132.2 26.1 18.3 26.1 96 96 A T E -B 198 0A 16 102,-2.3 102,-2.2 -2,-0.3 2,-0.4 -0.923 32.7-118.3-131.1 162.7 22.4 17.2 26.3 97 97 A L E -BC 197 103A 0 6,-2.7 6,-3.1 -2,-0.3 2,-0.4 -0.850 34.3-172.6 -97.1 139.3 19.1 18.9 26.8 98 98 A N E BC 196 102A 33 98,-2.5 98,-2.8 -2,-0.4 4,-0.2 -0.998 360.0 360.0-137.9 135.4 17.1 18.0 29.9 99 99 A F 0 0 50 2,-2.0 95,-0.2 -2,-0.4 96,-0.1 -0.898 360.0 360.0-154.4 360.0 13.6 18.7 31.1 100 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 1 B P 0 0 93 0, 0.0 -2,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 170.0 13.6 13.5 29.4 102 2 B Q E -C 98 0A 125 -4,-0.2 2,-0.6 -6,-0.0 -4,-0.2 -0.977 360.0-163.7-115.7 127.2 17.1 13.8 28.1 103 3 B I E -C 97 0A 34 -6,-3.1 -6,-2.7 -2,-0.5 2,-0.1 -0.940 7.9-153.1-110.2 115.7 17.7 14.8 24.4 104 4 B T - 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