==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-AUG-10 3O9G . COMPND 2 MOLECULE: PROTEASE; . 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) . 9656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 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 . 71 35.9 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 . 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 3 2 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 0.000 360.0 360.0 360.0 171.7 27.6 21.8 34.7 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.953 360.0-163.0-102.9 130.0 23.8 22.2 34.5 3 3 A I E -A 197 0A 32 194,-3.3 194,-2.7 -2,-0.5 2,-0.1 -0.966 2.7-154.6-121.4 117.7 22.9 25.4 32.6 4 4 A T - 0 0 68 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.400 15.8-129.8 -84.4 173.6 19.4 26.9 33.0 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.116 76.4 103.2-123.6 21.1 17.9 29.1 30.3 6 6 A W S S+ 0 0 187 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.756 95.1 34.4 -72.1 -24.1 16.6 32.3 31.9 7 7 A K S S- 0 0 66 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.849 109.4 -81.0-119.1 161.0 19.7 33.9 30.5 8 8 A R - 0 0 138 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.426 43.6-120.7 -54.7 133.4 21.6 33.3 27.3 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.414 51.1 164.1 -78.9 71.0 23.9 30.3 27.7 10 10 A L E +D 23 0B 60 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.710 10.0 177.5 -87.6 137.8 27.1 32.2 27.0 11 11 A V E -D 22 0B 18 11,-2.9 11,-2.6 -2,-0.4 2,-0.4 -0.941 32.3-105.5-138.1 161.0 30.4 30.6 27.9 12 12 A T E -D 21 0B 84 -2,-0.3 55,-2.0 9,-0.2 2,-0.3 -0.740 36.8-170.6 -86.6 132.3 34.0 31.3 27.7 13 13 A I E -DE 20 66B 0 7,-2.9 7,-2.3 -2,-0.4 2,-0.5 -0.886 16.2-141.9-116.9 153.8 35.9 29.3 25.1 14 14 A R E +DE 19 65B 142 51,-2.0 51,-2.1 -2,-0.3 2,-0.4 -0.981 29.0 162.3-114.4 124.7 39.7 29.0 24.5 15 15 A I E > S-D 18 0B 0 3,-2.4 3,-2.3 -2,-0.5 49,-0.1 -0.982 71.3 -9.9-146.6 125.3 40.7 28.8 20.9 16 16 A G T 3 S- 0 0 64 47,-0.5 3,-0.1 -2,-0.4 48,-0.1 0.809 127.7 -58.5 53.6 32.2 44.3 29.5 19.6 17 17 A G T 3 S+ 0 0 56 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.499 114.8 117.6 77.9 2.6 45.2 30.7 23.1 18 18 A Q E < -D 15 0B 117 -3,-2.3 -3,-2.4 2,-0.0 2,-0.5 -0.830 59.9-137.6-104.6 141.6 42.5 33.4 22.9 19 19 A L E +D 14 0B 133 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.847 31.2 168.0 -95.9 130.7 39.5 33.6 25.2 20 20 A K E -D 13 0B 56 -7,-2.3 -7,-2.9 -2,-0.5 2,-0.4 -0.923 34.4-118.7-135.0 162.4 36.2 34.4 23.5 21 21 A E E +D 12 0B 117 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.882 37.0 176.8-101.8 134.6 32.5 34.3 24.6 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.5 -0.959 27.8-120.0-141.0 153.9 30.3 32.0 22.6 23 23 A L E -Df 10 84B 10 60,-2.5 62,-2.8 -2,-0.3 2,-0.7 -0.847 21.0-129.9 -98.3 124.2 26.6 30.9 22.8 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.655 35.5-173.0 -72.5 113.7 25.8 27.2 23.3 25 25 A D > + 0 0 18 60,-2.8 3,-2.1 -2,-0.7 62,-0.3 -0.818 24.4 178.9-124.9 90.3 23.3 26.9 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.699 84.5 62.8 -67.7 -16.9 21.4 23.6 20.2 27 27 A G T 3 S+ 0 0 21 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.398 89.5 85.8 -83.8 0.2 19.5 24.9 17.1 28 28 A A < - 0 0 13 -3,-2.1 59,-3.2 57,-0.2 60,-0.2 -0.922 57.2-166.9-104.9 126.0 22.9 25.2 15.2 29 29 A D S S+ 0 0 50 -2,-0.5 59,-1.4 57,-0.2 2,-0.3 0.829 78.4 44.1 -68.1 -35.4 24.2 22.1 13.4 30 30 A D S S- 0 0 64 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.818 82.2-117.0-118.7 155.0 27.6 23.9 13.1 31 31 A T - 0 0 0 43,-0.5 45,-2.6 -2,-0.3 2,-0.4 -0.776 35.7-176.7 -88.7 123.4 30.0 25.9 15.1 32 32 A V E -gH 76 84B 2 52,-1.6 52,-2.9 -2,-0.5 2,-0.3 -0.990 4.3-171.7-130.3 121.9 30.3 29.4 13.6 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.5 -2,-0.4 47,-0.2 -0.839 28.9-104.3-113.1 150.6 32.7 32.1 14.9 34 34 A E - 0 0 89 -2,-0.3 -1,-0.1 43,-0.2 50,-0.0 -0.209 68.0 -53.5 -63.0 163.6 32.9 35.8 14.0 35 35 A E S S+ 0 0 119 43,-0.1 2,-0.3 45,-0.1 -1,-0.2 -0.069 80.3 138.5 -46.7 128.9 35.8 36.9 11.8 36 36 A M - 0 0 22 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.954 52.5 -98.0-161.3 164.9 39.1 35.8 13.2 37 37 A N + 0 0 148 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.796 37.4 172.6 -92.1 133.6 42.4 34.4 12.1 38 38 A L - 0 0 19 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.989 29.2-118.2-133.2 144.1 43.1 30.7 12.4 39 39 A P + 0 0 109 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.365 65.6 30.3 -80.8 162.7 46.1 28.9 11.0 40 40 A G S S- 0 0 63 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.238 95.4 -23.8 92.7-176.9 46.2 26.2 8.3 41 41 A K - 0 0 94 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.331 56.3-177.9 -70.7 145.0 44.1 25.2 5.3 42 42 A W - 0 0 130 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.945 17.0-139.0-137.8 163.7 40.5 26.2 5.0 43 43 A K E -I 58 0B 42 15,-1.8 15,-3.1 -2,-0.3 2,-0.2 -0.981 23.5-117.5-122.4 134.9 37.7 25.6 2.4 44 44 A P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.548 46.1 165.9 -66.7 135.1 35.2 28.1 1.2 45 45 A K E -I 56 0B 25 11,-2.4 11,-2.7 -2,-0.2 2,-0.4 -0.928 28.4-136.7-142.0 165.4 31.7 27.0 2.2 46 46 A M E -I 55 0B 125 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.982 19.5-178.5-125.8 143.7 28.2 28.4 2.4 47 47 A I E -I 54 0B 25 7,-2.0 7,-2.5 -2,-0.4 2,-0.4 -0.973 16.9-133.9-136.9 154.5 25.6 27.9 5.1 48 48 A G E +I 53 0B 43 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.850 23.2 169.3-111.3 142.7 22.1 29.1 5.7 49 49 A G E > -I 52 0B 24 3,-3.0 3,-0.9 101,-0.4 102,-0.1 -0.478 58.3 -64.0-127.1-160.3 20.4 30.6 8.7 50 50 A I T 3 S+ 0 0 32 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.802 132.6 40.7 -61.3 -30.6 17.1 32.3 9.5 51 51 A G T 3 S- 0 0 25 99,-2.2 2,-0.3 1,-0.3 100,-0.2 0.388 121.3 -83.4-103.6 3.4 17.9 35.2 7.2 52 52 A G E < -I 49 0B 27 -3,-0.9 -3,-3.0 98,-0.6 -1,-0.3 -0.898 64.7 -33.3 128.4-159.5 19.5 33.5 4.2 53 53 A F E -I 48 0B 147 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.741 44.3-175.2-108.4 146.3 22.9 32.2 3.2 54 54 A I E -I 47 0B 19 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.898 26.9-114.6-129.8 161.8 26.4 33.4 4.0 55 55 A K E +I 46 0B 161 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.839 37.7 177.0 -94.1 139.5 29.9 32.5 2.9 56 56 A V E -I 45 0B 6 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.5 -0.876 32.2-118.2-133.8 163.4 32.3 31.1 5.6 57 57 A R E -IJ 44 77B 45 20,-2.3 20,-2.3 -2,-0.3 2,-0.6 -0.940 30.3-143.6-100.6 126.6 35.8 29.7 5.8 58 58 A Q E -IJ 43 76B 60 -15,-3.1 -15,-1.8 -2,-0.5 2,-0.4 -0.854 17.2-174.4 -98.5 117.2 35.7 26.0 7.0 59 59 A Y E - J 0 75B 7 16,-2.7 16,-2.8 -2,-0.6 3,-0.3 -0.938 11.8-150.5-108.9 130.7 38.6 25.0 9.3 60 60 A D E + 0 0 88 -19,-0.5 14,-0.2 -2,-0.4 13,-0.1 -0.662 67.7 13.6-102.7 153.7 38.9 21.3 10.3 61 61 A Q E S+ 0 0 158 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.872 75.9 162.6 52.2 46.7 40.3 19.7 13.5 62 62 A I E - J 0 73B 21 11,-2.8 11,-2.1 -3,-0.3 2,-0.3 -0.855 35.1-130.7 -93.4 125.7 40.4 23.0 15.5 63 63 A P E + J 0 72B 83 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.593 29.7 174.8 -72.6 131.5 40.8 22.5 19.3 64 64 A I E - J 0 71B 2 7,-2.2 7,-2.1 -2,-0.3 2,-0.6 -0.992 22.4-149.7-133.7 131.6 38.4 24.5 21.4 65 65 A E E -EJ 14 70B 88 -51,-2.1 -51,-2.0 -2,-0.4 2,-0.6 -0.910 16.9-164.3 -96.9 117.9 38.1 24.2 25.2 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.1 -2,-0.6 -53,-0.2 -0.917 72.0 -28.0-111.4 110.6 34.4 25.0 26.0 67 67 A C T 3 S- 0 0 60 -55,-2.0 -1,-0.2 -2,-0.6 -54,-0.1 0.885 128.8 -47.8 46.1 44.6 33.9 25.7 29.7 68 68 A G T 3 S+ 0 0 68 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.493 115.6 116.5 79.1 5.4 36.9 23.5 30.4 69 69 A H E < - 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