==== 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 08-APR-05 1ZBG . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.DUSKOVA,T.SKALOVA,J.DOHNALEK,H.PETROKOVA,J.HASEK . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.5 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 . 32 16.1 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 . 7 3.5 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 1 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 RESIDUES PER ALPHA HELIX . 0 1 3 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 1 4 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 67 0, 0.0 198,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.9 9.0 -5.5 -12.2 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.994 360.0-162.0-122.9 124.9 9.0 -3.8 -15.6 3 3 A I E -A 197 0A 27 194,-3.3 194,-2.5 -2,-0.4 2,-0.1 -0.934 3.8-153.0-117.0 124.3 11.9 -5.1 -17.7 4 4 A T - 0 0 73 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.418 15.7-130.9 -88.6 171.3 13.3 -3.3 -20.7 5 5 A L S S+ 0 0 0 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.143 71.9 110.4-119.7 21.9 15.0 -5.2 -23.5 6 6 A W S S+ 0 0 169 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.825 95.2 21.6 -61.5 -33.4 18.3 -3.3 -24.1 7 7 A Q S S- 0 0 152 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.860 112.9 -67.4-125.4 167.7 20.0 -6.3 -22.6 8 8 A R - 0 0 134 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.284 47.3-119.3 -55.0 133.1 18.9 -10.0 -22.2 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.478 49.4 168.2 -74.6 66.3 16.0 -10.4 -19.7 10 10 A L E -D 23 0B 70 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.725 8.1-179.9 -85.7 134.7 18.0 -12.6 -17.3 11 11 A V E -D 22 0B 5 11,-2.5 11,-2.1 -2,-0.4 2,-0.4 -0.893 31.3-108.4-134.3 150.0 16.4 -13.2 -13.9 12 12 A T E -D 21 0B 83 -2,-0.3 55,-1.2 9,-0.2 2,-0.3 -0.751 39.6-179.2 -78.9 132.1 17.4 -15.2 -10.8 13 13 A I E -DE 20 66B 3 7,-3.0 7,-2.4 -2,-0.4 2,-0.4 -0.815 17.5-139.7-120.1 168.9 15.3 -18.3 -10.3 14 14 A K E +DE 19 65B 95 51,-2.0 51,-2.6 -2,-0.3 2,-0.4 -0.985 19.8 174.0-135.0 121.1 15.4 -20.9 -7.5 15 15 A I E > S-DE 18 64B 15 3,-2.5 3,-2.7 -2,-0.4 49,-0.1 -0.997 74.3 -15.1-126.4 130.4 15.0 -24.6 -8.0 16 16 A G T 3 S- 0 0 77 47,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.895 129.4 -53.7 46.0 45.8 15.4 -27.2 -5.2 17 17 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.211 112.5 122.3 76.9 -15.1 17.2 -24.5 -3.1 18 18 A Q E < -D 15 0B 121 -3,-2.7 -3,-2.5 1,-0.0 2,-0.3 -0.692 56.2-140.2 -84.5 126.3 19.7 -23.7 -5.9 19 19 A L E +D 14 0B 122 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.680 35.4 159.1 -74.6 135.0 19.9 -20.2 -7.2 20 20 A K E -D 13 0B 47 -7,-2.4 -7,-3.0 -2,-0.3 2,-0.4 -0.944 37.3-105.0-151.1 178.9 20.4 -20.0 -11.0 21 21 A E E +D 12 0B 125 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.857 34.1 174.5-116.9 135.1 20.0 -17.7 -14.0 22 22 A A E -Df 11 83B 0 -11,-2.1 -11,-2.5 -2,-0.4 2,-0.5 -0.986 27.8-122.6-144.1 150.3 17.3 -18.0 -16.6 23 23 A L E -Df 10 84B 11 60,-2.9 62,-3.1 -2,-0.3 2,-0.6 -0.809 21.5-131.4 -94.1 125.8 16.1 -16.0 -19.6 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.5 -2,-0.5 62,-0.1 -0.647 33.9-174.0 -72.1 114.6 12.5 -14.8 -19.8 25 25 A D > - 0 0 0 60,-2.5 3,-1.8 -2,-0.6 62,-0.3 -0.839 27.9-179.5-128.5 101.7 11.4 -15.9 -23.2 26 26 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 99,-0.1 0.687 88.2 60.4 -74.0 -18.0 8.1 -14.9 -24.8 27 27 A G T 3 S+ 0 0 1 174,-0.2 2,-0.5 81,-0.1 -1,-0.3 0.485 87.5 89.9 -84.8 -1.6 9.0 -16.9 -28.0 28 28 A A < - 0 0 0 -3,-1.8 59,-3.5 173,-0.6 60,-0.2 -0.849 54.2-169.2 -99.3 118.6 9.3 -20.2 -26.0 29 29 A D S S+ 0 0 45 -2,-0.5 59,-1.0 57,-0.2 2,-0.3 0.822 79.4 32.5 -66.4 -33.7 6.1 -22.3 -25.6 30 30 A D S S- 0 0 46 57,-0.2 2,-0.5 58,-0.1 57,-0.2 -0.840 86.6-109.1-126.2 159.7 8.0 -24.4 -23.0 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.5 -2,-0.3 2,-0.4 -0.795 34.6-168.5 -91.2 125.0 10.6 -24.0 -20.3 32 32 A V E -gH 76 84B 0 52,-1.4 52,-3.2 -2,-0.5 2,-0.4 -0.962 5.7-167.1-122.5 127.7 13.9 -25.6 -21.3 33 33 A L E -g 77 0B 0 43,-3.5 45,-1.9 -2,-0.4 50,-0.1 -0.907 21.4-113.7-121.0 147.7 16.7 -26.1 -18.7 34 34 A E - 0 0 74 -2,-0.4 -1,-0.1 43,-0.2 2,-0.0 -0.134 63.9 -61.2 -54.7 163.2 20.4 -26.9 -18.7 35 35 A E S S+ 0 0 121 45,-0.2 2,-0.3 43,-0.2 -1,-0.2 -0.298 78.1 133.0 -57.5 130.8 21.5 -30.2 -17.0 36 36 A M - 0 0 24 -3,-0.1 2,-0.5 2,-0.0 -3,-0.0 -0.942 60.0 -80.1-170.1 167.0 20.6 -30.4 -13.3 37 37 A S - 0 0 124 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.692 43.1-176.9 -85.6 122.0 19.1 -32.8 -10.8 38 38 A L - 0 0 18 -2,-0.5 24,-0.0 2,-0.1 -2,-0.0 -0.933 26.3-125.5-117.6 146.1 15.3 -32.8 -10.9 39 39 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.837 73.7 40.7 -61.7 -47.8 13.3 -34.9 -8.3 40 40 A G S S- 0 0 48 1,-0.2 2,-0.2 20,-0.2 -2,-0.1 0.115 89.8 -62.4 -96.8-158.4 10.9 -37.3 -10.2 41 41 A R - 0 0 230 19,-0.0 19,-0.5 1,-0.0 2,-0.3 -0.540 46.8-148.3 -84.9 158.0 10.5 -39.5 -13.3 42 42 A W - 0 0 131 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.880 7.5-155.2-129.9 153.9 10.9 -38.2 -16.8 43 43 A K E -I 58 0B 117 15,-1.8 15,-3.2 -2,-0.3 2,-0.2 -0.870 31.7 -97.5-121.9 162.3 9.4 -39.0 -20.2 44 44 A P E +I 57 0B 109 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.552 41.3 168.1 -85.0 146.8 10.9 -38.3 -23.6 45 45 A K E -I 56 0B 80 11,-1.6 11,-3.1 -2,-0.2 2,-0.4 -0.980 22.9-148.3-149.1 145.2 10.0 -35.3 -25.8 46 46 A M E +I 55 0B 115 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.970 22.3 179.3-114.7 140.8 11.3 -33.8 -29.0 47 47 A I E -I 54 0B 11 7,-1.9 7,-2.3 -2,-0.4 2,-0.4 -0.955 21.1-122.5-136.8 154.8 11.0 -30.0 -29.5 48 48 A G E +I 53 0B 20 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.828 27.0 171.4-106.4 140.1 12.0 -27.5 -32.2 49 49 A G E > -I 52 0B 1 3,-2.4 3,-0.9 152,-0.6 102,-0.1 -0.673 54.4 -79.3-123.8-172.3 14.2 -24.5 -32.0 50 50 A I T 3 S+ 0 0 8 151,-0.6 101,-0.2 1,-0.2 3,-0.1 0.879 130.7 44.2 -55.4 -39.8 15.8 -22.0 -34.4 51 51 A G T 3 S- 0 0 22 99,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.592 123.5 -90.6 -80.7 -14.3 18.6 -24.5 -35.1 52 52 A G E < -I 49 0B 26 -3,-0.9 -3,-2.4 98,-0.7 -1,-0.3 -0.895 64.0 -24.7 131.1-167.0 16.4 -27.6 -35.5 53 53 A F E -I 48 0B 153 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.539 48.4-174.6 -90.5 147.5 15.1 -30.4 -33.2 54 54 A I E -I 47 0B 17 -7,-2.3 -7,-1.9 -2,-0.2 2,-0.4 -0.965 25.0-120.5-134.6 156.6 16.4 -31.7 -30.0 55 55 A K E +I 46 0B 172 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.782 37.2 179.8 -93.4 138.8 15.6 -34.5 -27.6 56 56 A V E -I 45 0B 7 -11,-3.1 -11,-1.6 -2,-0.4 2,-0.5 -0.909 31.2-116.9-134.9 164.2 14.7 -33.5 -24.0 57 57 A R E -IJ 44 77B 56 20,-2.5 20,-2.7 -2,-0.3 2,-0.6 -0.908 30.3-147.9-100.7 122.9 13.7 -35.0 -20.7 58 58 A Q E -IJ 43 76B 25 -15,-3.2 -15,-1.8 -2,-0.5 2,-0.4 -0.816 16.6-178.1 -97.6 124.2 10.2 -33.9 -19.6 59 59 A Y E - J 0 75B 15 16,-2.6 16,-2.3 -2,-0.6 3,-0.2 -0.961 12.7-150.1-119.0 136.7 9.6 -33.6 -15.9 60 60 A D E + 0 0 75 -19,-0.5 -20,-0.2 -2,-0.4 14,-0.2 -0.634 65.6 19.7-106.4 162.0 6.1 -32.6 -14.5 61 61 A Q E S+ 0 0 156 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.866 75.9 165.9 51.6 51.0 4.9 -30.7 -11.5 62 62 A I E - J 0 73B 8 11,-2.4 11,-1.9 -3,-0.2 2,-0.5 -0.823 32.4-134.1-101.9 127.0 8.3 -29.0 -10.7 63 63 A L E + J 0 72B 92 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.682 29.7 172.1 -82.6 124.0 8.3 -26.1 -8.3 64 64 A I E -EJ 15 71B 0 7,-3.2 7,-1.9 -2,-0.5 2,-0.5 -0.986 24.0-143.9-125.1 141.3 10.3 -23.1 -9.4 65 65 A E E -EJ 14 70B 56 -51,-2.6 -51,-2.0 -2,-0.4 2,-0.5 -0.922 16.8-172.2-102.9 127.5 10.6 -19.7 -7.7 66 66 A I E > S-EJ 13 69B 0 3,-3.6 3,-1.6 -2,-0.5 -53,-0.2 -0.921 70.2 -31.8-124.1 107.6 10.8 -16.7 -10.2 67 67 A X T 3 S- 0 0 115 -55,-1.2 -1,-0.2 -2,-0.5 3,-0.1 0.932 127.6 -44.7 47.0 51.7 11.5 -13.3 -8.7 68 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.7 -3,-0.0 -1,-0.3 0.511 115.6 121.1 74.1 2.8 9.6 -14.3 -5.6 69 69 A H E < - 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