==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-AUG-10 3O9F . 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) . 9702.0 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 . 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 . 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 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 70 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 163.6 27.7 22.1 34.6 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.951 360.0-163.3-101.4 129.7 23.9 22.5 34.5 3 3 A I E -A 197 0A 31 194,-3.2 194,-2.5 -2,-0.5 2,-0.1 -0.960 3.1-155.2-121.2 119.6 22.9 25.6 32.6 4 4 A T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.396 15.3-131.4 -87.0 174.2 19.5 27.1 32.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.150 76.6 102.5-124.8 18.2 18.0 29.3 30.1 6 6 A W S S+ 0 0 187 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.791 95.5 36.5 -69.0 -24.4 16.6 32.4 31.7 7 7 A K S S- 0 0 67 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.844 109.4 -83.9-117.5 159.4 19.8 34.1 30.4 8 8 A R - 0 0 133 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.419 43.8-120.0 -58.1 133.8 21.7 33.4 27.1 9 9 A P + 0 0 5 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.432 50.0 165.0 -80.1 73.4 24.0 30.4 27.6 10 10 A L E +D 23 0B 60 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.708 10.0 179.8 -90.0 136.3 27.2 32.3 26.8 11 11 A V E -D 22 0B 12 11,-2.7 11,-2.8 -2,-0.4 2,-0.5 -0.934 31.9-107.1-133.1 157.6 30.5 30.6 27.8 12 12 A T E -D 21 0B 85 -2,-0.3 55,-1.9 9,-0.2 2,-0.3 -0.755 37.3-169.4 -82.8 129.0 34.2 31.3 27.6 13 13 A I E -DE 20 66B 0 7,-2.9 7,-2.0 -2,-0.5 2,-0.5 -0.855 15.4-141.4-113.5 153.1 36.0 29.3 24.9 14 14 A R E +DE 19 65B 144 51,-2.1 51,-2.1 -2,-0.3 2,-0.3 -0.981 29.0 162.1-114.3 122.9 39.7 28.9 24.4 15 15 A I E > S-D 18 0B 1 3,-2.4 3,-1.5 -2,-0.5 49,-0.1 -0.948 71.7 -12.2-144.3 118.8 40.8 28.8 20.7 16 16 A G T 3 S- 0 0 67 47,-0.4 3,-0.1 -2,-0.3 48,-0.1 0.846 127.0 -56.9 57.8 36.5 44.4 29.4 19.6 17 17 A G T 3 S+ 0 0 57 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.545 115.0 118.9 74.2 6.0 45.3 30.8 23.0 18 18 A Q E < -D 15 0B 116 -3,-1.5 -3,-2.4 2,-0.0 2,-0.5 -0.855 58.5-139.8-104.9 139.7 42.5 33.4 22.7 19 19 A L E +D 14 0B 130 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.876 29.8 168.2 -96.8 128.5 39.5 33.7 25.0 20 20 A K E -D 13 0B 56 -7,-2.0 -7,-2.9 -2,-0.5 2,-0.5 -0.907 34.7-119.6-131.6 160.4 36.2 34.4 23.4 21 21 A E E +D 12 0B 117 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.906 37.0 178.1-102.0 129.3 32.6 34.4 24.5 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.7 -2,-0.5 2,-0.5 -0.950 27.0-120.2-134.8 152.6 30.4 32.0 22.5 23 23 A L E -Df 10 84B 14 60,-2.7 62,-2.9 -2,-0.3 2,-0.7 -0.807 20.8-129.5 -97.0 125.2 26.7 31.0 22.6 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.638 35.6-173.7 -72.3 113.4 25.8 27.3 23.2 25 25 A D > + 0 0 20 60,-2.6 3,-2.1 -2,-0.7 62,-0.3 -0.797 24.5 178.4-126.3 90.1 23.4 26.9 20.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.716 84.7 62.1 -66.8 -18.2 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 0.409 89.3 86.6 -84.4 0.1 19.6 25.0 17.0 28 28 A A < - 0 0 13 -3,-2.1 59,-3.1 57,-0.2 60,-0.1 -0.905 56.4-167.6-102.9 124.4 22.9 25.2 15.1 29 29 A D S S+ 0 0 48 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.858 78.3 45.1 -65.0 -37.7 24.3 22.1 13.3 30 30 A D S S- 0 0 66 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.771 82.0-119.1-117.2 151.9 27.6 23.9 12.9 31 31 A T - 0 0 0 43,-0.5 45,-2.5 -2,-0.3 2,-0.4 -0.791 35.9-176.3 -87.2 125.3 30.0 26.0 15.0 32 32 A V E -gH 76 84B 2 52,-1.5 52,-2.8 -2,-0.5 2,-0.3 -0.986 4.8-170.2-132.5 122.2 30.4 29.4 13.5 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.3 -2,-0.4 3,-0.2 -0.847 28.5-104.5-112.9 148.3 32.7 32.1 14.8 34 34 A E - 0 0 90 -2,-0.3 -1,-0.1 43,-0.2 50,-0.0 -0.135 68.3 -53.8 -58.1 161.7 33.0 35.8 13.9 35 35 A E S S+ 0 0 116 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.100 79.7 139.2 -46.0 128.1 35.9 36.9 11.6 36 36 A M - 0 0 20 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.955 52.2 -99.5-162.0 162.1 39.3 35.8 13.1 37 37 A N + 0 0 146 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.794 37.6 174.5 -91.4 132.7 42.6 34.3 11.9 38 38 A L - 0 0 20 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.988 29.2-115.1-132.1 145.3 43.2 30.6 12.2 39 39 A P + 0 0 107 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.341 67.5 30.1 -76.2 157.2 46.2 28.7 10.9 40 40 A G S S- 0 0 63 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.208 94.7 -28.0 97.0 179.7 46.1 26.1 8.2 41 41 A K - 0 0 97 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.355 55.8-173.8 -67.8 144.2 44.2 25.2 5.1 42 42 A W - 0 0 130 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.940 15.4-138.4-133.4 165.0 40.5 26.2 4.8 43 43 A K E -I 58 0B 42 15,-1.8 15,-3.1 -2,-0.3 2,-0.2 -0.975 23.6-117.0-120.5 133.5 37.7 25.5 2.3 44 44 A P E +I 57 0B 109 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.546 45.8 168.5 -62.1 134.5 35.2 28.0 1.1 45 45 A K E -I 56 0B 24 11,-2.4 11,-2.7 -2,-0.2 2,-0.4 -0.944 27.7-137.5-141.6 161.8 31.7 26.9 2.1 46 46 A M E -I 55 0B 124 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.978 19.8-178.5-121.2 141.6 28.2 28.3 2.2 47 47 A I E -I 54 0B 22 7,-2.0 7,-2.7 -2,-0.4 2,-0.4 -0.982 15.5-138.4-135.3 152.4 25.7 28.0 5.0 48 48 A G E +I 53 0B 43 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.874 22.1 167.6-113.1 140.6 22.1 29.1 5.6 49 49 A G E > -I 52 0B 26 3,-2.8 3,-1.0 101,-0.4 102,-0.1 -0.476 59.5 -63.8-125.3-158.6 20.4 30.6 8.7 50 50 A I T 3 S+ 0 0 30 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.799 132.9 43.4 -65.7 -29.4 17.1 32.3 9.4 51 51 A G T 3 S- 0 0 24 99,-2.1 2,-0.3 1,-0.3 100,-0.3 0.408 120.8 -88.4 -99.6 2.5 18.0 35.3 7.2 52 52 A G E < -I 49 0B 27 -3,-1.0 -3,-2.8 98,-0.6 -1,-0.3 -0.868 64.2 -30.5 122.7-157.9 19.5 33.5 4.2 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.681 45.5-174.7-107.6 147.3 23.0 32.3 3.1 54 54 A I E -I 47 0B 20 -7,-2.7 -7,-2.0 -2,-0.3 2,-0.4 -0.913 27.1-113.7-131.3 161.4 26.5 33.5 3.9 55 55 A K E +I 46 0B 166 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.822 38.6 176.4 -92.6 135.8 30.0 32.6 2.8 56 56 A V E -I 45 0B 7 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.5 -0.882 32.1-119.5-132.0 163.6 32.3 31.1 5.5 57 57 A R E -IJ 44 77B 43 20,-2.5 20,-2.6 -2,-0.3 2,-0.7 -0.939 29.3-143.7-100.6 125.7 35.8 29.6 5.7 58 58 A Q E -IJ 43 76B 59 -15,-3.1 -15,-1.8 -2,-0.5 2,-0.5 -0.845 17.3-175.2 -98.0 116.1 35.8 26.0 6.9 59 59 A Y E - J 0 75B 7 16,-2.8 16,-2.9 -2,-0.7 3,-0.3 -0.943 12.6-151.9-107.5 126.6 38.6 25.0 9.2 60 60 A D E + 0 0 88 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.642 66.1 14.5 -98.7 156.9 38.8 21.3 10.1 61 61 A Q E S+ 0 0 162 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.876 77.2 161.7 51.3 49.4 40.3 19.6 13.3 62 62 A I E - J 0 73B 21 11,-2.9 11,-2.4 -3,-0.3 2,-0.3 -0.873 35.8-129.8 -97.5 127.4 40.5 22.8 15.3 63 63 A P E + J 0 72B 81 0, 0.0 -47,-0.4 0, 0.0 2,-0.4 -0.599 30.2 173.1 -73.5 134.6 40.8 22.4 19.1 64 64 A I E - J 0 71B 4 7,-2.1 7,-2.5 -2,-0.3 2,-0.6 -0.988 22.7-149.0-137.4 134.2 38.5 24.5 21.3 65 65 A E E -EJ 14 70B 70 -51,-2.1 -51,-2.1 -2,-0.4 2,-0.6 -0.929 16.2-166.7-102.6 117.0 38.1 24.2 25.0 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-2.3 -2,-0.6 -53,-0.2 -0.923 73.6 -24.0-110.4 111.7 34.5 25.0 26.0 67 67 A C T 3 S- 0 0 55 -55,-1.9 -1,-0.2 -2,-0.6 -54,-0.1 0.889 128.7 -51.2 51.2 38.9 34.0 25.6 29.7 68 68 A G T 3 S+ 0 0 48 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.479 114.8 120.9 79.1 0.7 37.1 23.5 30.3 69 69 A H E < - 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