==== 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 11-JUN-02 1LZQ . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.SKALOVA,J.HASEK,J.DOHNALEK,H.PETROKOVA,E.BUCHTELOVA,M.SOUC . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 37.2 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 . 27 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.0 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 4 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 . 2 0 5 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 85 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-163.6 -4.1 23.6 25.2 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.933 360.0-169.4-109.9 122.5 -6.3 23.2 28.4 3 3 A I E -A 197 0A 37 194,-2.7 194,-2.7 -2,-0.5 2,-0.1 -0.946 8.0-151.6-115.8 124.5 -7.3 26.5 30.0 4 4 A T E -A 196 0A 68 -2,-0.5 3,-0.4 192,-0.2 192,-0.2 -0.481 17.4-126.9 -87.0 168.4 -8.9 26.5 33.5 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 1,-0.2 185,-0.1 0.139 75.7 108.1-108.8 22.6 -11.3 29.2 34.6 6 6 A W S S+ 0 0 162 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.750 92.9 30.5 -66.8 -23.2 -9.9 30.6 37.8 7 7 A Q S S- 0 0 153 -3,-0.4 0, 0.0 3,-0.0 0, 0.0 -0.839 112.6 -76.3-126.3 165.8 -9.0 33.7 35.8 8 8 A R - 0 0 92 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.452 49.5-116.4 -61.8 137.9 -10.7 35.2 32.8 9 9 A P + 0 0 2 0, 0.0 15,-3.0 0, 0.0 2,-0.3 -0.482 50.9 168.6 -78.3 72.8 -9.8 33.1 29.7 10 10 A L E +D 23 0B 85 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.690 7.9 178.7 -90.9 138.4 -7.9 35.8 27.7 11 11 A V E -D 22 0B 14 11,-3.0 11,-2.7 -2,-0.3 2,-0.5 -0.900 31.0-105.5-135.3 164.7 -5.8 34.9 24.7 12 12 A T E -D 21 0B 78 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.781 37.0-177.6 -93.3 129.4 -3.7 36.7 22.1 13 13 A I E -DE 20 66B 0 7,-2.9 7,-2.8 -2,-0.5 2,-0.5 -0.895 17.9-149.4-123.3 155.4 -5.1 37.2 18.7 14 14 A K E +DE 19 65B 101 51,-1.9 51,-2.3 -2,-0.3 2,-0.4 -0.993 27.6 161.4-125.1 119.7 -3.6 38.7 15.6 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-1.5 -2,-0.5 49,-0.1 -0.984 64.0 -1.8-144.8 126.9 -6.1 40.4 13.3 16 16 A G T 3 S- 0 0 49 47,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.815 127.6 -57.5 65.7 32.5 -5.5 42.9 10.5 17 17 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.350 117.3 109.3 80.1 -4.9 -1.8 43.0 11.2 18 18 A Q E < -D 15 0B 70 -3,-1.5 -3,-2.4 0, 0.0 2,-0.4 -0.802 63.8-132.0-109.9 147.0 -2.5 44.1 14.8 19 19 A L E +D 14 0B 130 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.780 33.8 164.3 -97.5 134.3 -2.1 42.2 18.1 20 20 A K E -D 13 0B 47 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.4 -0.923 35.7-120.8-143.6 167.5 -4.9 42.2 20.6 21 21 A E E -D 12 0B 109 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.916 34.7-178.0-109.9 134.7 -6.1 40.4 23.7 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-3.0 -2,-0.4 2,-0.5 -0.963 26.0-119.8-136.7 154.8 -9.5 38.7 23.5 23 23 A L E -Df 10 84B 1 60,-2.8 62,-2.9 -2,-0.3 2,-0.8 -0.804 22.7-131.3 -96.6 124.5 -11.8 36.8 25.9 24 24 A L E - f 0 85B 0 -15,-3.0 2,-0.6 -2,-0.5 62,-0.1 -0.663 34.0-173.0 -74.8 111.5 -12.7 33.2 24.9 25 25 A D > - 0 0 0 60,-2.4 3,-1.6 -2,-0.8 62,-0.3 -0.844 26.5-180.0-118.9 102.2 -16.5 33.3 25.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 99,-0.1 0.717 86.4 61.6 -68.5 -19.3 -18.7 30.1 25.1 27 27 A G T 3 S+ 0 0 5 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.297 88.8 84.2 -89.8 9.3 -21.8 32.2 25.8 28 28 A A < - 0 0 11 -3,-1.6 59,-3.2 57,-0.2 60,-0.2 -0.948 55.8-166.2-113.3 124.5 -21.3 34.4 22.7 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.3 57,-0.2 2,-0.2 0.884 79.3 44.6 -72.9 -34.0 -22.7 33.2 19.3 30 30 A D S S- 0 0 48 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.641 81.3-119.0-110.3 162.3 -20.6 35.9 17.7 31 31 A T - 0 0 0 43,-0.3 45,-2.2 -2,-0.2 2,-0.5 -0.872 32.2-172.8-100.7 123.4 -17.1 37.4 17.8 32 32 A V E -gH 76 84B 7 52,-1.8 52,-3.3 -2,-0.5 2,-0.4 -0.973 3.8-168.8-124.6 126.0 -17.1 41.1 18.8 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.0 -2,-0.5 47,-0.2 -0.880 28.4-108.1-113.1 143.8 -14.0 43.4 18.7 34 34 A E S S- 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 48,-0.0 -0.044 72.1 -47.6 -56.7 169.1 -13.7 46.9 20.2 35 35 A E S S+ 0 0 118 43,-0.3 2,-0.4 45,-0.2 -1,-0.2 -0.095 78.6 169.3 -45.0 127.5 -13.5 49.7 17.6 36 36 A M - 0 0 6 -3,-0.2 2,-1.3 2,-0.0 -3,-0.1 -1.000 44.3-115.8-151.4 147.5 -11.0 48.8 15.0 37 37 A S + 0 0 93 -2,-0.4 -2,-0.0 -21,-0.0 0, 0.0 -0.669 48.0 168.3 -80.7 92.1 -9.6 49.8 11.7 38 38 A L - 0 0 21 -2,-1.3 2,-0.3 2,-0.1 -2,-0.0 -0.739 25.5-131.0-105.6 155.5 -10.6 46.8 9.6 39 39 A P + 0 0 95 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.848 58.4 36.4-111.9 150.2 -10.5 46.8 5.8 40 40 A G S S- 0 0 68 -2,-0.3 2,-0.2 19,-0.0 -2,-0.1 -0.696 89.1 -41.8 115.4-169.2 -13.0 45.7 3.2 41 41 A R + 0 0 214 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.507 54.0 172.0 -94.7 164.9 -16.8 45.9 2.9 42 42 A W - 0 0 120 -2,-0.2 17,-0.2 17,-0.1 15,-0.1 -0.924 23.6-133.6-157.4-179.6 -19.5 45.4 5.6 43 43 A K E -I 58 0B 118 15,-0.9 15,-1.8 -2,-0.3 13,-0.1 -0.992 34.0-102.4-145.1 141.2 -23.2 45.6 6.6 44 44 A P E +I 57 0B 72 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.204 43.0 166.9 -64.0 158.4 -24.8 47.0 9.8 45 45 A K E -I 56 0B 71 11,-1.1 11,-2.6 2,-0.0 2,-0.4 -0.963 25.2-137.9-165.1 158.3 -26.1 44.7 12.5 46 46 A M E -I 55 0B 104 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.966 17.6-170.5-125.1 141.9 -27.3 44.8 16.1 47 47 A I E -I 54 0B 17 7,-2.2 7,-2.4 -2,-0.4 2,-0.3 -0.957 7.4-148.2-132.8 154.1 -26.5 42.5 18.9 48 48 A G E +I 53 0B 39 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.838 22.3 152.4-120.8 159.0 -27.8 42.0 22.4 49 49 A G E > -I 52 0B 8 3,-1.9 3,-0.8 101,-0.3 100,-0.1 -0.769 63.8 -42.2-156.9-161.7 -26.3 40.9 25.7 50 50 A I T 3 S+ 0 0 5 151,-0.8 101,-0.1 -2,-0.2 103,-0.1 0.864 131.8 32.3 -46.1 -50.7 -26.9 41.4 29.4 51 51 A G T 3 S- 0 0 24 99,-0.9 102,-0.3 101,-0.4 2,-0.3 0.528 119.9 -79.5 -91.8 -4.1 -27.5 45.2 29.3 52 52 A G E < -I 49 0B 24 98,-0.8 -3,-1.9 -3,-0.8 2,-0.3 -0.999 63.5 -36.1 149.5-146.0 -29.2 45.8 26.0 53 53 A F E -I 48 0B 154 98,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.886 38.9-171.8-122.7 150.9 -28.3 46.2 22.3 54 54 A I E -I 47 0B 20 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.4 -0.946 24.0-121.2-134.8 157.7 -25.3 47.7 20.4 55 55 A K E +I 46 0B 126 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.856 34.2 176.8-102.5 135.7 -24.7 48.4 16.7 56 56 A V E -I 45 0B 3 -11,-2.6 -11,-1.1 -2,-0.4 2,-0.4 -0.939 31.6-117.7-135.2 155.8 -21.7 46.8 15.1 57 57 A R E -IJ 44 77B 50 20,-3.2 20,-2.8 -2,-0.3 2,-0.6 -0.799 31.2-140.9 -93.5 136.3 -20.2 46.6 11.6 58 58 A Q E -IJ 43 76B 21 -15,-1.8 -15,-0.9 -2,-0.4 2,-0.5 -0.879 18.1-174.5-108.7 114.6 -20.1 43.1 10.2 59 59 A Y E - J 0 75B 8 16,-2.5 16,-2.6 -2,-0.6 3,-0.3 -0.873 11.2-152.7-104.6 126.9 -17.1 41.9 8.2 60 60 A D E + 0 0 84 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.552 67.9 18.8 -99.2 165.0 -17.0 38.5 6.6 61 61 A Q E S+ 0 0 151 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.918 78.7 165.5 44.9 57.4 -14.1 36.2 5.7 62 62 A I E - J 0 73B 23 11,-3.0 11,-1.8 -3,-0.3 2,-0.4 -0.883 35.9-129.0-103.4 133.3 -11.7 37.9 8.0 63 63 A L E + J 0 72B 92 -2,-0.5 -47,-0.5 9,-0.2 2,-0.3 -0.662 34.1 172.7 -80.9 133.3 -8.5 36.1 8.8 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-2.2 -2,-0.4 2,-0.6 -0.995 23.2-148.3-140.7 140.1 -7.8 36.0 12.6 65 65 A E E -EJ 14 70B 56 -51,-2.3 -51,-1.9 -2,-0.3 2,-0.5 -0.959 14.8-173.0-114.9 117.2 -5.1 34.1 14.4 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.6 -2,-0.6 -53,-0.2 -0.949 73.9 -26.6-114.7 116.7 -6.1 32.8 17.9 67 67 A C T 3 S- 0 0 66 -55,-2.1 -1,-0.2 -2,-0.5 -54,-0.1 0.895 128.9 -48.1 43.9 46.8 -3.3 31.3 20.0 68 68 A G T 3 S+ 0 0 55 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.270 113.7 117.2 84.5 -14.7 -1.6 30.4 16.7 69 69 A H E < - J 0 66B 69 -3,-2.6 -3,-3.0 24,-0.0 2,-0.3 -0.816 55.9-146.0 -92.0 124.7 -4.6 28.8 15.0 70 70 A K E + J 0 65B 140 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.676 25.9 167.7 -86.9 140.5 -5.6 30.7 11.9 71 71 A V E - J 0 64B 10 -7,-2.2 -7,-2.6 -2,-0.3 2,-0.4 -0.948 25.2-143.5-147.1 156.2 -9.3 30.8 11.1 72 72 A I E + J 0 63B 78 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.992 43.9 115.2-126.2 132.1 -11.4 32.8 8.7 73 73 A G E - J 0 62B 13 -11,-1.8 -11,-3.0 -2,-0.4 2,-0.3 -0.966 62.1 -51.0-173.1-171.8 -14.9 34.0 9.7 74 74 A T E - 0 0 45 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.3 -0.610 44.1-170.8 -84.9 142.2 -17.2 36.9 10.5 75 75 A V E - J 0 59B 0 -16,-2.6 -16,-2.5 -2,-0.3 2,-0.4 -0.984 11.0-147.9-132.9 140.9 -16.1 39.5 12.9 76 76 A L E -gJ 32 58B 2 -45,-2.2 -43,-3.1 -2,-0.4 2,-0.5 -0.938 11.1-161.3-111.6 132.8 -18.3 42.2 14.3 77 77 A V E +gJ 33 57B 0 -20,-2.8 -20,-3.2 -2,-0.4 -43,-0.2 -0.953 35.6 97.5-118.7 128.7 -16.7 45.6 15.2 78 78 A G S S- 0 0 3 -45,-2.0 2,-2.0 -2,-0.5 -43,-0.3 -0.956 78.0 -35.1-176.9-165.4 -18.4 48.1 17.5 79 79 A P S S+ 0 0 95 0, 0.0 72,-0.3 0, 0.0 -45,-0.1 -0.334 70.9 147.2 -77.1 61.0 -18.6 49.6 21.1 80 80 A T - 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