==== 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 30-MAR-05 1Z8C . 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) . 9873.0 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 . 15 7.5 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 1 4 0 0 2 1 3 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 84 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.0 21.2 47.7 39.3 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.984 360.0-159.3-123.8 108.3 19.4 46.8 36.1 3 3 A I E -A 197 0A 35 194,-3.5 194,-2.2 -2,-0.5 2,-0.2 -0.836 4.0-148.4-100.8 126.8 20.6 43.3 35.2 4 4 A T E -A 196 0A 75 -2,-0.5 3,-0.4 192,-0.2 192,-0.1 -0.528 15.1-129.7 -88.2 159.8 20.4 41.9 31.6 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 1,-0.2 185,-0.1 -0.005 71.7 111.8-102.5 29.6 19.9 38.2 30.9 6 6 A W S S+ 0 0 181 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.811 92.0 21.3 -69.7 -29.0 22.6 37.4 28.4 7 7 A Q S S- 0 0 153 -3,-0.4 -1,-0.0 1,-0.0 0, 0.0 -0.878 112.1 -69.9-131.2 164.2 24.3 35.3 31.1 8 8 A R - 0 0 91 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.265 50.2-116.7 -54.8 134.0 22.9 33.7 34.2 9 9 A P + 0 0 5 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.486 49.9 169.9 -77.1 78.4 22.0 36.4 36.8 10 10 A L E +D 23 0B 76 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.715 5.0 174.7 -90.6 139.9 24.5 35.2 39.5 11 11 A V E -D 22 0B 3 11,-2.0 11,-2.0 -2,-0.3 2,-0.4 -0.877 34.9 -95.3-138.5 168.6 25.1 37.5 42.6 12 12 A T E -D 21 0B 63 -2,-0.3 55,-1.6 9,-0.2 2,-0.4 -0.717 37.0-174.4 -89.4 134.4 27.0 37.3 45.8 13 13 A I E -DE 20 66B 0 7,-2.9 7,-2.8 -2,-0.4 2,-0.5 -0.996 10.4-156.3-130.6 136.1 25.1 36.2 48.8 14 14 A K E +DE 19 65B 102 51,-2.4 51,-2.9 -2,-0.4 2,-0.3 -0.959 21.3 164.8-113.0 126.4 26.5 36.2 52.4 15 15 A I E > -D 18 0B 1 3,-2.9 3,-1.1 -2,-0.5 49,-0.1 -0.906 66.5 -6.0-149.4 115.5 24.9 33.9 54.8 16 16 A G T 3 S- 0 0 63 47,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.921 127.1 -58.8 70.0 43.0 26.3 32.8 58.2 17 17 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.098 116.0 116.4 74.9 -26.2 29.5 34.6 57.5 18 18 A Q E < -D 15 0B 77 -3,-1.1 -3,-2.9 -2,-0.2 2,-0.4 -0.592 58.3-142.0 -81.6 133.7 30.0 32.4 54.4 19 19 A L E +D 14 0B 115 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.762 32.1 155.4 -95.1 137.6 30.1 34.0 51.0 20 20 A K E -D 13 0B 43 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.4 -0.869 37.1-111.2-148.8 178.4 28.5 32.2 48.1 21 21 A E E +D 12 0B 126 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.954 31.2 178.6-121.4 141.8 26.9 32.7 44.7 22 22 A A E -D 11 0B 0 -11,-2.0 -11,-2.0 -2,-0.4 2,-0.4 -0.984 29.2-112.2-144.4 154.9 23.2 32.3 43.8 23 23 A L E -Df 10 84B 2 60,-2.5 62,-3.4 -2,-0.3 2,-1.0 -0.709 24.4-129.6 -88.2 127.4 21.0 32.6 40.8 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.4 62,-0.1 -0.693 37.5-172.4 -76.2 108.4 18.3 35.4 40.9 25 25 A D > + 0 0 0 60,-2.5 3,-1.1 -2,-1.0 62,-0.3 -0.866 28.5 174.7-115.6 101.4 15.4 33.1 39.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.624 86.1 61.9 -77.2 -10.3 12.0 34.7 39.2 27 27 A G T 3 S+ 0 0 9 81,-0.1 2,-0.5 -3,-0.1 -1,-0.2 0.496 90.3 83.0 -90.3 -5.2 10.8 31.2 38.2 28 28 A A < - 0 0 8 -3,-1.1 59,-2.9 57,-0.2 60,-0.2 -0.875 59.3-162.9-103.4 127.8 11.4 29.9 41.7 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.0 172,-0.3 2,-0.2 0.882 79.9 34.4 -70.7 -38.4 8.8 30.4 44.5 30 30 A D S S- 0 0 55 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.682 84.9-109.7-116.8 166.5 11.4 29.7 47.1 31 31 A T - 0 0 0 43,-0.4 45,-2.4 -2,-0.2 2,-0.5 -0.859 35.8-165.8 -97.2 122.7 15.1 30.1 47.8 32 32 A V E -gH 76 84B 8 52,-1.6 52,-2.6 -2,-0.5 2,-0.3 -0.962 8.7-179.6-121.9 125.3 16.9 26.8 47.6 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.6 -2,-0.5 47,-0.2 -0.826 31.1-110.1-124.3 158.5 20.5 26.3 48.9 34 34 A E S S- 0 0 82 -2,-0.3 -1,-0.1 43,-0.2 48,-0.0 -0.249 75.2 -55.5 -68.3 168.0 23.2 23.7 49.2 35 35 A E + 0 0 93 1,-0.2 -1,-0.2 43,-0.1 42,-0.0 -0.260 56.3 177.0 -53.0 126.3 23.9 22.6 52.8 36 36 A M - 0 0 2 -3,-0.2 -1,-0.2 2,-0.0 -18,-0.1 0.323 39.6-127.7-111.8 3.6 24.6 25.8 54.8 37 37 A S - 0 0 100 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.928 41.3-172.8 44.3 57.2 24.9 24.0 58.2 38 38 A L - 0 0 21 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 -0.547 19.7-122.7 -82.2 140.2 22.4 26.4 59.7 39 39 A P + 0 0 118 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.325 68.8 44.9 -75.4 165.5 21.7 26.4 63.5 40 40 A G S S- 0 0 63 19,-0.0 2,-0.1 -2,-0.0 -2,-0.0 -0.229 91.6 -48.5 95.4 174.0 18.1 25.9 64.7 41 41 A R - 0 0 171 -2,-0.1 19,-0.3 19,-0.0 2,-0.3 -0.339 50.2-169.7 -81.9 164.7 15.2 23.6 63.9 42 42 A W - 0 0 98 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.942 17.7-130.8-149.1 166.3 13.8 22.9 60.4 43 43 A K E -I 58 0B 95 15,-1.3 15,-2.8 -2,-0.3 2,-0.1 -0.991 24.1-127.7-126.1 129.5 10.9 21.3 58.8 44 44 A P E +I 57 0B 69 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.407 39.1 156.9 -72.8 154.9 11.2 18.8 56.0 45 45 A K E -I 56 0B 66 11,-1.9 11,-2.6 -2,-0.1 2,-0.4 -0.965 36.4-116.0-164.3 170.9 9.3 19.3 52.8 46 46 A M E +I 55 0B 121 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.941 27.0 178.7-118.6 141.5 9.2 18.5 49.1 47 47 A I E -I 54 0B 21 7,-2.0 7,-2.7 -2,-0.4 2,-0.3 -0.922 13.6-146.1-134.6 159.5 9.6 21.0 46.3 48 48 A G E +I 53 0B 42 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.864 18.8 167.7-128.2 163.6 9.6 20.4 42.6 49 49 A G E > -I 52 0B 14 3,-2.2 3,-0.8 -2,-0.3 2,-0.4 -0.564 60.4 -45.4-143.4-150.0 11.3 21.8 39.6 50 50 A I T 3 S+ 0 0 2 151,-0.3 101,-1.4 1,-0.2 102,-0.4 -0.752 128.7 30.8 -86.1 135.3 11.7 20.7 36.0 51 51 A G T 3 S- 0 0 25 -2,-0.4 2,-0.3 128,-0.3 -1,-0.2 0.432 122.0 -62.3 100.7 -5.9 12.6 17.0 36.3 52 52 A G E < -I 49 0B 27 -3,-0.8 -3,-2.2 100,-0.1 99,-0.3 -0.846 68.9 -47.9 128.1-165.2 10.9 15.8 39.4 53 53 A F E -I 48 0B 159 -2,-0.3 2,-0.3 98,-0.2 -5,-0.2 -0.753 36.0-161.5-116.1 157.0 10.9 16.5 43.2 54 54 A I E -I 47 0B 18 -7,-2.7 -7,-2.0 -2,-0.3 2,-0.5 -0.952 21.5-120.8-134.2 155.5 13.5 16.9 45.9 55 55 A K E +I 46 0B 150 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.829 37.9 174.6 -95.8 133.6 13.5 16.7 49.7 56 56 A V E -I 45 0B 4 -11,-2.6 -11,-1.9 -2,-0.5 2,-0.5 -0.861 30.7-123.1-133.6 165.5 14.7 19.8 51.4 57 57 A R E -IJ 44 77B 102 20,-2.5 20,-2.8 -2,-0.3 2,-0.6 -0.966 27.2-139.5-110.2 127.2 14.9 21.2 55.0 58 58 A Q E -IJ 43 76B 21 -15,-2.8 -15,-1.3 -2,-0.5 2,-0.5 -0.788 18.7-175.4 -95.6 120.4 13.1 24.4 55.7 59 59 A Y E - J 0 75B 8 16,-2.9 16,-2.8 -2,-0.6 3,-0.4 -0.955 10.7-156.8-114.3 123.1 14.8 27.1 57.9 60 60 A D E + 0 0 58 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.536 66.3 24.6 -96.6 162.3 12.9 30.2 58.8 61 61 A Q E S+ 0 0 163 1,-0.2 -1,-0.2 -2,-0.2 13,-0.2 0.802 74.7 167.6 56.1 38.4 14.2 33.7 59.8 62 62 A I E - J 0 73B 17 11,-2.4 11,-1.8 -3,-0.4 2,-0.6 -0.678 33.8-134.2 -84.6 122.8 17.6 33.3 58.2 63 63 A P E + J 0 72B 92 0, 0.0 -47,-0.4 0, 0.0 2,-0.4 -0.662 36.6 171.3 -77.3 121.2 19.6 36.5 57.9 64 64 A I E - J 0 71B 5 7,-3.1 7,-2.7 -2,-0.6 2,-0.5 -0.992 26.5-144.0-136.0 143.6 21.0 36.7 54.4 65 65 A E E -EJ 14 70B 50 -51,-2.9 -51,-2.4 -2,-0.4 2,-0.5 -0.917 15.9-179.3-111.9 124.8 22.7 39.4 52.5 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-1.6 -2,-0.5 -53,-0.2 -0.959 72.7 -25.0-123.3 112.2 22.2 39.8 48.7 67 67 A X T 3 S- 0 0 104 -55,-1.6 -1,-0.1 -2,-0.5 3,-0.1 0.918 126.5 -48.9 51.9 48.6 24.1 42.5 46.8 68 68 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.522 115.7 121.0 71.7 2.9 24.5 44.6 49.9 69 69 A H E < - 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