==== 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 24-MAY-05 1ZSF . 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) . 9544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.3 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 . 70 35.2 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 . 28 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.5 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 3 2 0 0 3 1 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 74 0, 0.0 198,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 173.7 -4.2 23.9 25.0 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.945 360.0-164.4-113.2 136.1 -6.4 23.4 28.1 3 3 A I E -A 197 0A 37 194,-2.6 194,-2.4 -2,-0.4 2,-0.1 -0.975 8.4-148.8-129.7 124.0 -7.5 26.5 30.1 4 4 A T - 0 0 74 -2,-0.4 3,-0.3 192,-0.2 192,-0.1 -0.409 18.6-130.0 -82.6 169.0 -8.9 26.5 33.6 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.214 76.2 104.9-115.8 19.8 -11.4 29.2 34.5 6 6 A W S S+ 0 0 160 185,-0.1 2,-0.2 184,-0.1 -1,-0.2 0.835 93.0 33.9 -63.0 -30.6 -10.2 30.8 37.7 7 7 A Q S S- 0 0 148 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.763 111.1 -77.1-114.7 171.7 -9.1 33.7 35.6 8 8 A R - 0 0 100 -2,-0.2 2,-2.4 1,-0.1 119,-0.1 -0.432 44.8-119.6 -59.1 136.9 -10.7 35.2 32.4 9 9 A P + 0 0 2 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.457 53.5 167.1 -78.7 69.9 -9.9 33.0 29.4 10 10 A L E +D 23 0B 74 -2,-2.4 2,-0.3 13,-0.2 13,-0.3 -0.685 8.2 177.1 -86.9 137.6 -8.1 35.9 27.8 11 11 A V E -D 22 0B 5 11,-3.5 11,-3.1 -2,-0.3 2,-0.4 -0.949 31.7-101.5-142.5 162.5 -5.9 35.2 24.8 12 12 A T E +D 21 0B 78 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.664 38.7 179.0 -82.7 129.1 -3.7 36.8 22.1 13 13 A I E -DE 20 66B 1 7,-3.4 7,-2.9 -2,-0.4 2,-0.4 -0.910 18.6-148.7-125.5 164.1 -5.2 37.3 18.7 14 14 A K E +DE 19 65B 100 51,-1.7 51,-2.9 -2,-0.3 2,-0.3 -0.997 26.1 160.9-129.0 124.1 -3.8 38.8 15.5 15 15 A I E > +DE 18 64B 2 3,-2.6 3,-2.6 -2,-0.4 49,-0.1 -0.987 64.0 0.1-150.6 138.6 -6.1 40.5 13.1 16 16 A G T 3 S- 0 0 39 47,-0.5 -1,-0.1 -2,-0.3 3,-0.1 0.889 130.7 -56.2 45.6 50.2 -5.6 43.0 10.3 17 17 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.370 116.5 115.6 67.1 0.9 -1.9 43.0 11.0 18 18 A Q E < -D 15 0B 64 -3,-2.6 -3,-2.6 19,-0.1 2,-0.5 -0.803 60.9-134.1-110.3 145.2 -2.6 43.9 14.7 19 19 A L E +D 14 0B 131 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.772 34.8 163.5 -92.4 127.1 -2.0 42.2 18.0 20 20 A K E -D 13 0B 45 -7,-2.9 -7,-3.4 -2,-0.5 2,-0.4 -0.946 36.5-119.0-141.4 159.8 -4.9 42.3 20.5 21 21 A E E -D 12 0B 114 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.814 36.1-177.1 -96.7 142.4 -6.0 40.5 23.7 22 22 A A E -D 11 0B 0 -11,-3.1 -11,-3.5 -2,-0.4 2,-0.4 -0.999 25.4-122.7-147.3 147.4 -9.4 38.8 23.5 23 23 A L E -Df 10 84B 0 60,-2.7 62,-2.6 -2,-0.3 2,-0.9 -0.736 23.6-129.9 -89.7 128.6 -11.8 36.9 25.8 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.7 -2,-0.4 62,-0.2 -0.741 33.8-170.7 -78.1 103.2 -12.8 33.3 24.8 25 25 A D > + 0 0 0 60,-3.0 3,-1.4 -2,-0.9 62,-0.2 -0.830 26.3 176.3-112.4 102.9 -16.6 33.5 25.2 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.678 84.9 62.9 -77.4 -13.0 -18.8 30.4 24.9 27 27 A G T 3 S+ 0 0 7 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.416 89.8 86.2 -87.7 2.8 -21.9 32.5 25.7 28 28 A A < - 0 0 10 -3,-1.4 59,-2.8 57,-0.2 60,-0.2 -0.896 53.7-169.7-109.4 125.4 -21.3 34.5 22.5 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.3 172,-0.3 2,-0.2 0.891 79.3 46.6 -69.2 -37.2 -22.7 33.3 19.1 30 30 A D S S- 0 0 51 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.591 80.6-120.9-106.7 163.3 -20.6 36.0 17.5 31 31 A T - 0 0 1 43,-0.3 45,-2.4 -2,-0.2 2,-0.5 -0.894 32.9-173.4 -99.7 123.5 -17.1 37.5 17.6 32 32 A V E -gH 76 84B 8 52,-2.4 52,-3.3 -2,-0.5 2,-0.4 -0.957 4.1-168.9-129.5 116.8 -17.1 41.1 18.5 33 33 A L E -g 77 0B 0 43,-3.9 45,-2.1 -2,-0.5 47,-0.2 -0.824 26.6-110.4-106.6 146.1 -14.1 43.4 18.4 34 34 A E - 0 0 71 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.160 66.2 -55.7 -59.0 164.1 -13.7 46.9 19.9 35 35 A E S S+ 0 0 109 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.147 79.2 159.5 -50.1 122.2 -13.3 49.7 17.4 36 36 A M - 0 0 17 -3,-0.2 2,-1.3 2,-0.0 -3,-0.0 -0.986 51.1 -95.7-150.2 159.0 -10.4 48.9 15.2 37 37 A S + 0 0 95 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.681 54.4 167.0 -79.6 90.9 -8.8 49.7 11.9 38 38 A L - 0 0 21 -2,-1.3 2,-0.4 2,-0.1 -2,-0.0 -0.856 27.9-133.4-108.3 140.1 -10.1 46.8 9.7 39 39 A P + 0 0 91 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.777 58.3 42.5 -96.9 139.5 -9.9 46.7 5.9 40 40 A G S S- 0 0 62 -2,-0.4 2,-0.2 19,-0.0 -2,-0.1 -0.659 84.5 -56.4 128.0-177.6 -12.7 45.8 3.6 41 41 A R - 0 0 185 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.502 52.3-177.1 -88.5 164.0 -16.4 46.3 3.0 42 42 A W - 0 0 120 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.919 20.7-126.3-154.0 174.6 -19.1 45.6 5.6 43 43 A K E -I 58 0B 147 15,-1.1 15,-2.3 -2,-0.3 13,-0.1 -0.998 33.1-104.0-135.2 139.4 -22.8 45.5 6.4 44 44 A P E +I 57 0B 86 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.284 44.3 178.5 -64.9 134.5 -24.8 47.2 9.3 45 45 A K E -I 56 0B 60 11,-1.7 11,-2.9 -2,-0.1 2,-0.4 -0.972 24.9-146.4-139.4 155.5 -25.9 44.9 12.1 46 46 A M E +I 55 0B 102 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.977 23.8 179.8-114.4 123.8 -27.7 44.9 15.5 47 47 A I E -I 54 0B 18 7,-3.3 7,-2.4 -2,-0.4 2,-0.3 -0.885 15.6-132.4-128.7 164.0 -26.7 42.5 18.3 48 48 A G E +I 53 0B 62 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.874 23.6 161.5-120.7 146.1 -27.8 41.8 21.9 49 49 A G - 0 0 12 3,-2.6 102,-0.1 -2,-0.3 100,-0.0 -0.740 56.9 -75.2-138.3-169.4 -26.2 41.3 25.3 50 50 A I S S+ 0 0 6 151,-0.6 101,-0.1 -2,-0.2 103,-0.1 0.889 127.3 46.3 -63.5 -34.3 -27.1 41.4 28.9 51 51 A G S S- 0 0 23 99,-1.6 102,-0.3 101,-0.3 100,-0.3 0.868 122.9 -88.9 -77.9 -32.7 -27.3 45.2 29.1 52 52 A G - 0 0 33 98,-1.2 -3,-2.6 100,-0.2 2,-0.4 -0.881 65.2 -32.5 158.8-124.8 -29.3 45.8 25.9 53 53 A F E -I 48 0B 126 98,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.948 38.7-170.0-137.6 152.7 -28.3 46.2 22.3 54 54 A I E -I 47 0B 22 -7,-2.4 -7,-3.3 -2,-0.4 2,-0.4 -0.968 23.7-121.3-136.9 157.3 -25.5 47.6 20.1 55 55 A K E -I 46 0B 130 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.2 -0.799 35.9-178.7 -94.6 134.0 -24.9 48.4 16.5 56 56 A V E -I 45 0B 7 -11,-2.9 -11,-1.7 -2,-0.4 2,-0.5 -0.583 30.0-112.4-122.1 179.4 -21.9 46.7 14.8 57 57 A R E -IJ 44 77B 61 20,-0.8 20,-1.3 -13,-0.2 2,-0.7 -0.987 30.0-138.9-121.6 113.7 -20.1 46.4 11.5 58 58 A Q E -IJ 43 76B 46 -15,-2.3 -15,-1.1 -2,-0.5 2,-0.5 -0.635 21.8-178.7 -81.7 109.3 -20.3 43.0 9.8 59 59 A Y E - J 0 75B 8 16,-2.7 16,-3.6 -2,-0.7 3,-0.4 -0.948 12.9-155.8-110.2 124.8 -17.1 41.9 8.3 60 60 A D E + 0 0 73 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.752 64.8 7.6-109.2 147.0 -17.2 38.6 6.5 61 61 A Q E S+ 0 0 146 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.950 81.8 167.0 52.1 52.4 -14.5 36.0 5.7 62 62 A I E - J 0 73B 24 11,-2.4 11,-1.3 -3,-0.4 2,-0.2 -0.870 33.6-127.4 -99.2 130.3 -12.0 37.9 7.8 63 63 A L E + J 0 72B 99 -2,-0.5 -47,-0.5 9,-0.2 2,-0.3 -0.517 34.7 169.7 -75.3 139.5 -8.7 36.1 8.7 64 64 A I E -EJ 15 71B 1 7,-2.3 7,-1.6 -2,-0.2 2,-0.6 -0.989 27.3-141.2-151.0 139.9 -7.8 36.0 12.4 65 65 A E E -EJ 14 70B 69 -51,-2.9 -51,-1.7 -2,-0.3 2,-0.7 -0.866 16.3-170.5-104.9 119.1 -5.1 34.2 14.4 66 66 A I E > S-EJ 13 69B 0 3,-3.9 3,-2.0 -2,-0.6 -53,-0.2 -0.885 71.5 -33.4-114.4 108.5 -6.2 32.9 17.8 67 67 A X T 3 S- 0 0 70 -55,-2.3 -1,-0.2 -2,-0.7 -54,-0.1 0.908 126.4 -43.8 51.7 46.9 -3.4 31.6 20.0 68 68 A G T 3 S+ 0 0 54 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.349 119.4 110.6 84.1 -7.4 -1.5 30.3 17.0 69 69 A H E < - J 0 66B 61 -3,-2.0 -3,-3.9 2,-0.0 -1,-0.2 -0.903 58.4-145.6-107.1 125.2 -4.6 28.9 15.3 70 70 A K E + J 0 65B 141 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.515 22.6 168.1 -87.8 148.8 -5.9 30.6 12.2 71 71 A A E - J 0 64B 5 -7,-1.6 -7,-2.3 -2,-0.2 2,-0.4 -0.991 24.2-144.8-157.2 150.1 -9.5 30.9 11.1 72 72 A I E + J 0 63B 67 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.978 45.6 102.2-119.5 139.5 -11.6 32.8 8.6 73 73 A G E - J 0 62B 16 -11,-1.3 -11,-2.4 -2,-0.4 2,-0.1 -0.978 67.1 -35.3 173.5-178.9 -15.1 34.0 9.5 74 74 A T E - 0 0 43 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.3 -0.368 46.5-169.4 -67.8 135.9 -17.4 36.9 10.4 75 75 A V E - J 0 59B 0 -16,-3.6 -16,-2.7 -2,-0.1 2,-0.4 -0.997 6.9-154.2-126.9 129.1 -16.0 39.5 12.6 76 76 A L E -gJ 32 58B 1 -45,-2.4 -43,-3.9 -2,-0.4 2,-0.4 -0.873 8.1-163.6-105.4 140.2 -18.2 42.2 14.2 77 77 A V E +gJ 33 57B 1 -20,-1.3 -20,-0.8 -2,-0.4 -43,-0.2 -0.972 32.6 97.5-127.8 124.0 -16.8 45.6 15.1 78 78 A G S S- 0 0 2 -45,-2.1 2,-2.5 -2,-0.4 -43,-0.4 -0.925 76.4 -29.4-172.5-163.2 -18.4 48.1 17.4 79 79 A P S S+ 0 0 78 0, 0.0 72,-0.3 0, 0.0 -45,-0.1 -0.257 74.5 139.8 -72.4 53.7 -18.8 49.6 20.9 80 80 A T - 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