==== 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 06-MAY-05 1ZLF . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.SKALOVA,J.DOHNALEK,J.DUSKOVA,H.PETROKOVA,J.HASEK . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 64.8 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 . 72 36.2 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 . 24 12.1 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 2 3 0 0 3 0 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 99 0, 0.0 198,-1.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-163.5 -13.1 38.9 -7.4 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.863 360.0-170.5 -98.4 130.3 -14.7 37.4 -10.6 3 3 A I E -A 197 0A 41 194,-2.7 194,-2.8 -2,-0.5 2,-0.1 -0.978 9.9-147.1-130.2 122.6 -12.4 34.9 -12.3 4 4 A T E -A 196 0A 78 -2,-0.4 3,-0.3 192,-0.2 192,-0.2 -0.288 16.4-128.3 -77.7 171.0 -13.0 33.4 -15.8 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.205 75.5 108.1-112.3 20.2 -11.9 29.9 -16.7 6 6 A W S S+ 0 0 175 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.802 91.2 29.9 -63.3 -30.5 -10.0 30.4 -19.9 7 7 A Q S S- 0 0 164 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.806 111.5 -75.0-122.1 164.7 -6.8 29.7 -18.0 8 8 A R - 0 0 102 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.382 50.2-116.2 -56.6 137.9 -6.2 27.5 -14.9 9 9 A P + 0 0 1 0, 0.0 15,-3.2 0, 0.0 2,-0.3 -0.482 51.1 169.7 -79.1 75.1 -7.7 29.3 -11.8 10 10 A L E +D 23 0B 88 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.677 6.9 176.0 -90.1 136.1 -4.3 29.7 -9.9 11 11 A V E -D 22 0B 14 11,-2.9 11,-2.6 -2,-0.3 2,-0.5 -0.928 31.8-107.8-135.1 164.1 -4.0 31.8 -6.8 12 12 A T E -D 21 0B 81 -2,-0.3 55,-1.8 9,-0.2 2,-0.3 -0.759 35.2-174.3 -92.6 130.5 -1.3 32.7 -4.3 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.7 -2,-0.5 2,-0.5 -0.912 16.8-149.0-122.4 152.3 -1.7 31.3 -0.8 14 14 A K E +DE 19 65B 98 51,-2.1 51,-2.2 -2,-0.3 2,-0.4 -0.968 29.9 158.8-121.7 112.9 0.4 31.9 2.3 15 15 A I E > -D 18 0B 1 3,-2.3 3,-1.5 -2,-0.5 49,-0.1 -0.992 62.6 -1.4-140.8 129.3 0.5 28.9 4.6 16 16 A G T 3 S- 0 0 45 47,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.855 128.7 -56.5 64.2 37.2 3.0 28.1 7.4 17 17 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.267 117.5 112.3 78.1 -8.0 5.1 31.2 6.7 18 18 A Q E < -D 15 0B 77 -3,-1.5 -3,-2.3 0, 0.0 2,-0.5 -0.709 62.3-134.6-105.9 147.6 5.5 30.1 3.0 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.824 34.9 160.9 -99.2 130.6 4.2 31.4 -0.3 20 20 A K E -D 13 0B 48 -7,-2.7 -7,-3.3 -2,-0.5 2,-0.4 -0.948 36.4-121.0-144.2 163.3 2.7 29.0 -2.8 21 21 A E E -D 12 0B 122 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.884 32.5-177.8-107.1 141.0 0.5 28.8 -5.8 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.5 -0.986 26.4-119.9-141.3 148.7 -2.6 26.7 -5.7 23 23 A L E -Df 10 84B 3 60,-2.8 62,-3.0 -2,-0.3 2,-0.8 -0.767 25.0-129.7 -91.9 124.4 -5.4 25.7 -8.1 24 24 A L E - f 0 85B 0 -15,-3.2 2,-0.6 -2,-0.5 62,-0.1 -0.643 34.2-172.1 -74.2 112.6 -9.0 26.7 -7.1 25 25 A D > - 0 0 0 60,-2.5 3,-1.4 -2,-0.8 62,-0.3 -0.859 28.0-178.6-119.3 104.2 -10.8 23.4 -7.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.697 85.9 63.1 -69.3 -15.9 -14.6 23.1 -7.3 27 27 A G T 3 S+ 0 0 7 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.358 88.1 79.5 -90.8 6.4 -14.3 19.4 -7.9 28 28 A A < - 0 0 13 -3,-1.4 59,-3.0 57,-0.2 60,-0.2 -0.937 57.6-163.8-112.2 130.4 -12.3 18.6 -4.8 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.4 57,-0.2 2,-0.2 0.828 79.5 47.2 -78.7 -28.1 -14.0 18.2 -1.4 30 30 A D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.664 79.7-122.9-112.9 164.9 -10.6 18.6 0.2 31 31 A T + 0 0 1 43,-0.3 45,-1.7 -2,-0.2 2,-0.4 -0.898 31.7 179.7-105.3 131.0 -7.6 20.8 0.0 32 32 A V E -gH 76 84B 8 52,-1.6 52,-2.3 -2,-0.5 2,-0.3 -0.974 6.6-166.2-138.3 124.6 -4.3 19.0 -0.6 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.2 -2,-0.4 47,-0.3 -0.802 29.7-100.9-111.0 152.2 -0.8 20.5 -0.9 34 34 A E S S- 0 0 83 -2,-0.3 -1,-0.1 43,-0.2 48,-0.0 -0.109 70.8 -58.8 -57.0 162.8 2.5 19.0 -2.3 35 35 A E S S+ 0 0 118 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.186 75.2 156.0 -51.3 129.0 4.9 17.9 0.5 36 36 A M - 0 0 10 -3,-0.2 2,-0.7 2,-0.0 -3,-0.1 -0.983 49.2 -94.4-152.9 157.9 5.8 20.8 2.8 37 37 A S + 0 0 97 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.683 48.9 171.1 -81.7 114.6 7.0 21.3 6.3 38 38 A L - 0 0 16 -2,-0.7 2,-0.2 2,-0.1 -2,-0.0 -0.969 23.5-137.8-125.3 139.3 4.1 21.8 8.5 39 39 A P + 0 0 109 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.592 57.7 44.3 -94.2 160.1 4.1 21.9 12.3 40 40 A G S S- 0 0 63 -2,-0.2 2,-0.3 19,-0.1 -2,-0.1 -0.545 86.6 -38.8 110.5-174.8 1.5 20.3 14.6 41 41 A R - 0 0 214 -2,-0.2 19,-0.7 19,-0.1 2,-0.3 -0.699 49.8-173.5 -97.4 145.5 -0.3 17.0 15.0 42 42 A W E -I 59 0B 120 -2,-0.3 17,-0.2 17,-0.2 15,-0.0 -0.965 21.9-148.1-141.2 155.5 -1.8 14.8 12.2 43 43 A K E -I 58 0B 130 15,-1.4 15,-2.5 -2,-0.3 2,-0.1 -0.904 37.8-114.6-112.9 139.1 -3.9 11.7 11.6 44 44 A P E +I 57 0B 90 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.399 41.2 174.2 -75.6 159.5 -3.0 9.7 8.5 45 45 A K E -I 56 0B 75 11,-1.7 11,-3.2 -2,-0.1 2,-0.4 -0.991 25.2-138.9-160.3 161.4 -5.6 9.5 5.6 46 46 A M E +I 55 0B 128 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.986 20.7 178.6-127.8 135.4 -6.1 8.2 2.1 47 47 A I E -I 54 0B 25 7,-2.2 7,-2.7 -2,-0.4 2,-0.3 -0.940 10.2-150.5-134.2 158.1 -7.9 10.1 -0.7 48 48 A G E +I 53 0B 37 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.859 19.6 158.3-130.0 163.4 -8.7 9.3 -4.3 49 49 A G E > -I 52 0B 10 3,-2.5 3,-0.8 101,-0.3 102,-0.1 -0.555 63.6 -41.4-149.4-145.6 -9.2 11.0 -7.6 50 50 A I T 3 S+ 0 0 8 151,-0.5 101,-0.1 1,-0.2 103,-0.1 0.927 128.5 41.6 -64.6 -52.3 -9.0 9.8 -11.2 51 51 A G T 3 S- 0 0 20 99,-0.9 102,-0.3 101,-0.4 2,-0.3 0.069 122.5 -87.6 -87.1 28.8 -5.8 7.7 -11.5 52 52 A G E < -I 49 0B 26 -3,-0.8 -3,-2.5 98,-0.2 2,-0.3 -0.801 64.3 -36.6 111.9-149.6 -6.5 5.9 -8.2 53 53 A F E -I 48 0B 160 -2,-0.3 2,-0.3 98,-0.2 -5,-0.2 -0.838 38.8-168.7-124.7 158.1 -5.6 6.7 -4.6 54 54 A I E -I 47 0B 25 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.4 -0.930 25.2-115.2-136.3 161.3 -2.8 8.3 -2.5 55 55 A K E +I 46 0B 88 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.837 37.1 173.5-101.5 131.5 -1.8 8.6 1.2 56 56 A V E -I 45 0B 1 -11,-3.2 -11,-1.7 -2,-0.4 2,-0.4 -0.957 31.5-115.7-136.6 154.6 -1.7 12.0 2.8 57 57 A R E -IJ 44 77B 40 20,-2.9 20,-2.2 -2,-0.3 2,-0.8 -0.754 26.3-137.9 -92.6 135.5 -1.3 13.5 6.3 58 58 A Q E -IJ 43 76B 37 -15,-2.5 -15,-1.4 -2,-0.4 2,-0.5 -0.815 21.1-178.5-100.1 106.9 -4.2 15.3 7.8 59 59 A Y E -IJ 42 75B 4 16,-2.2 16,-2.7 -2,-0.8 3,-0.3 -0.884 14.4-159.9-101.0 125.9 -3.3 18.5 9.6 60 60 A D E + 0 0 62 -19,-0.7 14,-0.2 -2,-0.5 -19,-0.1 -0.623 61.2 26.5-106.4 165.8 -6.3 20.3 11.1 61 61 A Q E S+ 0 0 155 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.921 79.4 162.7 52.6 50.0 -7.0 23.8 12.2 62 62 A I E - J 0 73B 21 11,-3.0 11,-2.1 -3,-0.3 2,-0.4 -0.777 34.9-130.4-102.8 145.6 -4.4 25.3 9.8 63 63 A L E + J 0 72B 84 -2,-0.3 -47,-0.5 9,-0.2 2,-0.4 -0.765 29.5 174.4 -93.7 139.1 -4.3 29.0 8.9 64 64 A I E - J 0 71B 0 7,-2.7 7,-1.9 -2,-0.4 2,-0.6 -0.999 25.2-146.9-143.4 140.8 -4.1 30.0 5.2 65 65 A E E -EJ 14 70B 56 -51,-2.2 -51,-2.1 -2,-0.4 2,-0.5 -0.949 20.2-178.4-109.3 116.6 -4.2 33.2 3.4 66 66 A I E > S-EJ 13 69B 1 3,-2.4 3,-1.4 -2,-0.6 -53,-0.2 -0.965 76.5 -23.4-116.3 112.6 -5.9 32.8 0.0 67 67 A C T 3 S- 0 0 58 -55,-1.8 2,-0.7 -2,-0.5 -1,-0.2 0.925 127.4 -54.8 52.6 44.0 -6.0 36.0 -2.0 68 68 A G T 3 S+ 0 0 51 -56,-0.3 2,-0.4 1,-0.2 -1,-0.3 -0.108 111.7 118.8 84.5 -42.1 -5.7 37.8 1.3 69 69 A H E < - J 0 66B 72 -3,-1.4 -3,-2.4 -2,-0.7 2,-0.3 -0.456 58.2-143.4 -63.1 119.2 -8.7 36.2 3.0 70 70 A K E + J 0 65B 150 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.634 27.5 171.6 -82.2 142.0 -7.4 34.3 6.0 71 71 A V E - J 0 64B 12 -7,-1.9 -7,-2.7 -2,-0.3 2,-0.4 -0.960 22.7-144.4-146.3 155.6 -9.2 31.0 6.7 72 72 A I E + J 0 63B 91 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.986 42.6 106.6-126.7 135.3 -8.6 28.1 9.1 73 73 A G E - 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