==== 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 03-DEC-98 3TLH . COMPND 2 MOLECULE: PROTEIN (PROTEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (C . AUTHOR M.LI,T.LEE,G.MORRIS,G.LACO,C.WONG,A.OLSON,J.ELDER,A.WLODAWER . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 30.3 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 . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 1 1 1 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 0 0 0 0 1 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 0 152 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.9 -13.1 39.0 29.8 2 2 A Q - 0 0 184 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.787 360.0-166.3 -91.2 123.2 -14.3 37.4 26.7 3 3 A I - 0 0 75 -2,-0.5 2,-0.1 6,-0.0 0, 0.0 -0.946 3.6-159.9-116.6 111.2 -12.2 34.6 25.2 4 4 A T - 0 0 93 -2,-0.6 3,-0.3 1,-0.1 0, 0.0 -0.410 20.1-128.2 -81.0 171.4 -12.9 33.4 21.7 5 5 A L S S+ 0 0 120 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.163 73.3 111.1-122.3 23.1 -11.6 30.0 20.8 6 6 A W S S+ 0 0 234 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.811 91.5 35.2 -62.5 -27.5 -9.6 30.3 17.6 7 7 A K S S- 0 0 169 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.833 111.5 -77.9-118.8 165.4 -6.6 29.6 19.8 8 8 A R - 0 0 188 -2,-0.3 2,-2.4 1,-0.1 -2,-0.1 -0.426 50.1-116.7 -54.7 125.0 -6.2 27.4 22.8 9 9 A P + 0 0 26 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.421 52.6 168.5 -69.7 78.3 -7.7 29.4 25.8 10 10 A L E +A 23 0A 78 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.773 6.9 174.8 -96.8 136.4 -4.4 29.7 27.6 11 11 A V E -A 22 0A 16 11,-2.8 11,-2.9 -2,-0.4 2,-0.4 -0.901 33.6 -94.7-137.6 168.1 -4.0 32.0 30.6 12 12 A T E -A 21 0A 81 -2,-0.3 55,-2.7 9,-0.2 2,-0.4 -0.657 38.4-174.1 -83.7 124.5 -1.5 33.0 33.3 13 13 A I E -AB 20 66A 1 7,-3.7 7,-2.8 -2,-0.4 2,-0.5 -0.912 15.1-152.7-119.0 154.7 -1.7 31.4 36.6 14 14 A K E +AB 19 65A 88 51,-1.8 51,-2.3 -2,-0.4 2,-0.4 -0.987 24.3 164.3-121.5 121.0 0.2 32.0 39.9 15 15 A I E > -A 18 0A 1 3,-2.6 3,-2.0 -2,-0.5 49,-0.1 -0.984 64.8 -15.5-143.6 125.4 0.6 29.0 42.2 16 16 A G T 3 S- 0 0 58 47,-0.4 21,-0.1 -2,-0.4 3,-0.1 0.871 127.2 -50.1 47.3 51.8 3.0 28.7 45.1 17 17 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.200 116.4 112.6 78.7 -8.8 5.2 31.6 44.1 18 18 A Q E < -A 15 0A 70 -3,-2.0 -3,-2.6 0, 0.0 2,-0.5 -0.770 60.1-138.7-103.0 141.0 5.5 30.3 40.5 19 19 A L E +A 14 0A 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.828 34.9 159.2 -93.9 122.8 4.1 31.8 37.3 20 20 A K E -A 13 0A 51 -7,-2.8 -7,-3.7 -2,-0.5 2,-0.4 -0.915 38.2-119.3-138.4 169.6 2.7 29.3 34.8 21 21 A E E -A 12 0A 120 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.927 32.9-176.1-108.9 138.5 0.4 29.1 31.8 22 22 A A E -A 11 0A 0 -11,-2.9 -11,-2.8 -2,-0.4 2,-0.4 -0.940 25.1-117.4-134.6 154.5 -2.7 26.9 32.0 23 23 A L E -Ac 10 84A 28 60,-3.2 62,-2.9 -2,-0.3 2,-0.9 -0.722 21.8-131.7 -90.7 131.0 -5.5 25.9 29.7 24 24 A L E - c 0 85A 29 -15,-3.0 2,-0.6 -2,-0.4 62,-0.1 -0.732 35.6-173.5 -82.6 110.9 -9.1 26.9 30.6 25 25 A D > - 0 0 44 60,-2.5 3,-1.4 -2,-0.9 62,-0.2 -0.846 29.6-179.0-119.7 105.5 -10.8 23.5 30.1 26 26 A T T 3 S+ 0 0 74 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.690 86.4 62.9 -70.8 -16.1 -14.6 23.0 30.3 27 27 A G T 3 S+ 0 0 64 59,-0.0 2,-0.5 60,-0.0 -1,-0.3 0.303 86.9 86.9 -88.3 6.5 -14.2 19.3 29.6 28 28 A A < - 0 0 16 -3,-1.4 59,-3.2 57,-0.2 60,-0.2 -0.930 56.5-164.7-113.7 125.2 -12.2 18.7 32.8 29 29 A D S S+ 0 0 105 -2,-0.5 59,-1.4 57,-0.2 2,-0.2 0.913 79.1 31.2 -62.8 -45.3 -13.9 17.9 36.1 30 30 A D S S- 0 0 52 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.551 83.8-108.1-112.6 168.4 -10.7 18.7 38.1 31 31 A T - 0 0 0 43,-0.4 45,-3.1 -2,-0.2 2,-0.5 -0.855 35.3-175.1-102.3 122.3 -7.6 20.9 37.9 32 32 A V E -dE 76 84A 8 52,-1.8 52,-2.4 -2,-0.5 2,-0.3 -0.957 3.2-168.0-131.6 126.3 -4.4 19.1 37.0 33 33 A L E -d 77 0A 0 43,-3.8 45,-2.6 -2,-0.5 47,-0.2 -0.797 29.3-103.3-109.8 149.6 -0.9 20.6 36.9 34 34 A E - 0 0 86 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.186 69.0 -61.8 -55.0 160.7 2.4 19.3 35.6 35 35 A E S S+ 0 0 109 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.156 76.1 151.2 -52.1 130.9 4.8 18.1 38.3 36 36 A M - 0 0 14 -3,-0.2 2,-0.7 2,-0.0 -3,-0.1 -0.971 52.2 -84.8-157.9 162.7 5.7 21.0 40.7 37 37 A S + 0 0 93 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.646 49.9 174.1 -81.3 112.9 6.7 21.5 44.3 38 38 A L - 0 0 22 -2,-0.7 -2,-0.0 2,-0.1 39,-0.0 -0.974 20.4-137.8-128.5 126.6 3.6 21.6 46.5 39 39 A P + 0 0 106 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.217 58.5 40.1 -72.1 163.9 3.6 21.8 50.3 40 40 A G S S- 0 0 68 19,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.283 94.0 -46.4 94.9-173.6 1.3 19.9 52.7 41 41 A R - 0 0 94 -2,-0.1 2,-0.3 19,-0.1 19,-0.2 -0.310 54.8-161.3 -80.1 174.5 -0.1 16.4 52.8 42 42 A W - 0 0 123 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.895 12.2-137.3-163.9 132.0 -1.6 14.7 49.7 43 43 A K E -F 58 0A 137 15,-1.7 15,-2.7 -2,-0.3 2,-0.2 -0.638 28.4-114.5 -90.3 146.1 -3.9 11.8 48.8 44 44 A P E +F 57 0A 96 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.554 44.3 167.9 -79.1 140.9 -3.3 9.4 45.9 45 45 A K E -F 56 0A 74 11,-2.0 11,-1.9 -2,-0.2 2,-0.4 -0.941 29.6-128.2-150.5 167.1 -5.8 9.4 43.1 46 46 A M E -F 55 0A 103 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.975 17.6-173.9-122.4 134.3 -6.6 8.3 39.5 47 47 A I E -F 54 0A 39 7,-2.5 7,-2.3 -2,-0.4 2,-0.3 -0.965 7.8-160.2-125.2 146.9 -7.8 10.4 36.6 48 48 A G E +F 53 0A 47 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.893 20.6 143.8-127.1 156.1 -8.9 9.2 33.2 49 49 A G E > -F 52 0A 58 3,-2.4 3,-1.1 -2,-0.3 2,-0.2 -0.768 61.5 -29.5-160.7-157.5 -9.3 10.6 29.7 50 50 A I T 3 S+ 0 0 176 1,-0.2 3,-0.0 -2,-0.2 0, 0.0 -0.537 128.4 17.2 -73.2 141.5 -8.8 9.6 26.1 51 51 A G T 3 S- 0 0 89 -2,-0.2 2,-0.4 1,-0.0 -1,-0.2 0.272 125.0 -54.7 89.5 -18.9 -6.1 7.0 25.9 52 52 A G E < -F 49 0A 37 -3,-1.1 -3,-2.4 2,-0.0 2,-0.3 -0.979 61.3 -60.7 159.5-149.9 -6.0 5.9 29.5 53 53 A F E -F 48 0A 150 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.908 33.6-158.1-139.4 159.0 -5.6 6.8 33.2 54 54 A I E -F 47 0A 52 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.5 -0.969 21.8-115.8-144.0 158.5 -2.8 8.4 35.2 55 55 A K E +F 46 0A 168 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.851 40.1 174.2 -91.4 118.1 -1.7 8.6 38.9 56 56 A V E -F 45 0A 5 -11,-1.9 -11,-2.0 -2,-0.5 2,-0.4 -0.791 29.8-122.9-119.3 168.8 -1.9 12.1 40.3 57 57 A R E -FG 44 77A 55 20,-2.4 20,-2.3 -2,-0.3 2,-0.5 -0.932 25.9-142.5-107.0 132.2 -1.4 13.6 43.8 58 58 A Q E -FG 43 76A 36 -15,-2.7 -15,-1.7 -2,-0.4 2,-0.4 -0.916 16.3-174.8-108.3 127.0 -4.3 15.6 45.3 59 59 A Y E - G 0 75A 10 16,-2.2 16,-3.2 -2,-0.5 3,-0.3 -0.968 11.7-150.5-113.7 124.3 -3.8 18.7 47.3 60 60 A D E S+ 0 0 88 -2,-0.4 14,-0.2 14,-0.2 -19,-0.1 -0.623 71.6 19.4 -92.8 152.7 -6.7 20.5 49.1 61 61 A Q E S+ 0 0 161 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.930 74.8 166.2 53.7 53.1 -7.0 24.2 49.8 62 62 A I E - G 0 73A 26 11,-2.7 11,-2.0 -3,-0.3 2,-0.2 -0.895 33.8-131.8 -94.9 128.5 -4.4 25.4 47.3 63 63 A L E + G 0 72A 93 -2,-0.6 -47,-0.4 9,-0.2 2,-0.3 -0.554 33.7 175.3 -70.6 137.5 -4.4 29.2 46.7 64 64 A I E - G 0 71A 1 7,-2.6 7,-2.1 -2,-0.2 2,-0.8 -0.959 26.8-150.4-149.1 133.9 -4.4 30.0 43.0 65 65 A E E -BG 14 70A 62 -51,-2.3 -51,-1.8 -2,-0.3 2,-0.9 -0.877 12.3-168.2-102.6 107.0 -4.6 33.1 40.9 66 66 A I E > S-BG 13 69A 1 3,-2.2 3,-1.8 -2,-0.8 -53,-0.2 -0.838 74.4 -37.4 -93.1 101.7 -6.2 32.5 37.6 67 67 A C T 3 S- 0 0 72 -55,-2.7 -1,-0.2 -2,-0.9 -54,-0.1 0.937 126.8 -35.9 46.8 59.7 -5.6 35.7 35.5 68 68 A G T 3 S+ 0 0 65 -3,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.058 117.6 105.4 92.4 -33.5 -6.1 38.1 38.4 69 69 A H E < - G 0 66A 93 -3,-1.8 -3,-2.2 -2,-0.0 2,-0.2 -0.741 62.3-141.2 -92.4 120.9 -8.8 36.2 40.2 70 70 A K E + G 0 65A 145 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.456 26.0 169.9 -74.6 143.2 -8.0 34.3 43.4 71 71 A A E - G 0 64A 5 -7,-2.1 -7,-2.6 -2,-0.2 2,-0.4 -0.969 21.7-149.2-144.5 154.1 -9.6 31.0 44.0 72 72 A I E + G 0 63A 91 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -1.000 41.6 112.4-126.5 129.4 -8.9 28.3 46.6 73 73 A G E - G 0 62A 13 -11,-2.0 -11,-2.7 -2,-0.4 2,-0.3 -0.959 62.8 -47.8-170.0-174.8 -9.5 24.6 45.8 74 74 A T E - 0 0 42 -2,-0.3 -43,-0.4 -14,-0.2 2,-0.4 -0.599 48.3-171.8 -75.9 133.2 -8.4 21.1 45.1 75 75 A V E - G 0 59A 0 -16,-3.2 -16,-2.2 -2,-0.3 2,-0.4 -0.987 9.9-150.2-126.5 137.1 -5.4 20.8 42.7 76 76 A L E -dG 32 58A 1 -45,-3.1 -43,-3.8 -2,-0.4 2,-0.4 -0.865 7.1-157.9-109.0 146.0 -4.1 17.6 41.2 77 77 A V E +dG 33 57A 1 -20,-2.3 -20,-2.4 -2,-0.4 -43,-0.2 -0.972 33.9 109.4-122.6 133.8 -0.4 17.2 40.2 78 78 A G S S- 0 0 1 -45,-2.6 2,-2.3 -2,-0.4 -43,-0.3 -0.982 72.3 -44.6-177.4-173.8 0.8 14.6 37.7 79 79 A P S S+ 0 0 83 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.180 71.2 143.1 -73.4 49.6 2.2 13.6 34.4 80 80 A T - 0 0 19 -2,-2.3 -45,-0.2 -47,-0.2 -2,-0.1 -0.754 49.9-142.5 -87.6 139.1 -0.0 15.9 32.3 81 81 A P S S+ 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.444 86.3 34.0 -74.4 -0.2 1.7 17.4 29.2 82 82 A V S S- 0 0 38 -50,-0.1 2,-0.4 -59,-0.0 -60,-0.1 -0.987 87.9-108.8-153.1 146.5 -0.2 20.7 29.8 83 83 A N - 0 0 10 -62,-0.4 -60,-3.2 -2,-0.3 2,-0.5 -0.678 39.6-162.8 -78.6 130.1 -1.5 22.6 32.8 84 84 A I E -cE 23 32A 23 -52,-2.4 -52,-1.8 -2,-0.4 2,-0.7 -0.970 16.9-156.8-124.6 122.4 -5.3 22.3 33.0 85 85 A I E -c 24 0A 0 -62,-2.9 -60,-2.5 -2,-0.5 -57,-0.2 -0.890 28.3-160.8 -92.9 116.7 -7.8 24.5 34.9 86 86 A G >> - 0 0 0 -2,-0.7 4,-2.4 -62,-0.1 3,-1.4 -0.239 33.4 -88.8 -97.1-178.6 -10.9 22.4 35.4 87 87 A R H 3> S+ 0 0 118 -59,-3.2 4,-1.9 1,-0.3 5,-0.2 0.833 116.3 70.4 -65.2 -30.0 -14.6 23.1 36.3 88 88 A N H 34 S+ 0 0 39 -59,-1.4 4,-0.3 -60,-0.2 -1,-0.3 0.862 115.0 26.6 -54.0 -34.3 -13.9 22.9 40.0 89 89 A L H <> S+ 0 0 1 -3,-1.4 4,-0.8 2,-0.2 3,-0.3 0.749 110.4 67.8-101.6 -29.2 -12.1 26.2 39.8 90 90 A L H <>S+ 0 0 7 -4,-2.4 5,-3.1 1,-0.2 3,-0.4 0.834 99.9 54.3 -58.9 -30.2 -13.7 27.7 36.7 91 91 A T T ><5S+ 0 0 96 -4,-1.9 3,-1.8 3,-0.2 -1,-0.2 0.881 100.2 59.6 -70.2 -35.4 -16.9 28.1 38.8 92 92 A Q T 345S+ 0 0 96 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.700 108.8 44.0 -67.9 -15.7 -15.1 30.0 41.5 93 93 A I T 3<5S- 0 0 37 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.235 117.6-114.7-110.5 17.4 -14.1 32.7 39.1 94 94 A G T < 5 + 0 0 60 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.927 50.7 175.7 54.7 50.5 -17.6 32.7 37.6 95 95 A C < - 0 0 55 -5,-3.1 2,-0.3 -8,-0.1 -1,-0.2 -0.765 3.6-178.5 -91.4 135.2 -16.5 31.4 34.3 96 96 A T - 0 0 106 -2,-0.4 2,-0.4 2,-0.0 -5,-0.0 -0.945 27.3-126.4-131.9 153.0 -19.3 30.7 31.7 97 97 A L - 0 0 116 -2,-0.3 2,-0.4 -71,-0.0 -2,-0.0 -0.768 32.1-170.9 -89.5 133.7 -19.7 29.3 28.2 98 98 A N 0 0 130 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.990 360.0 360.0-135.1 139.0 -21.7 31.6 25.8 99 99 A F 0 0 266 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.948 360.0 360.0-165.8 360.0 -23.1 31.2 22.3