==== 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 17-MAY-05 1ZPK . 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) . 9936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 66.8 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 . 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 . 25 12.6 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 . 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 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 86 0, 0.0 198,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 173.9 -13.0 39.1 2.1 2 2 A Q E -A 198 0A 125 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.909 360.0-162.5-106.6 139.6 -14.4 37.2 -0.8 3 3 A I E -A 197 0A 33 194,-3.1 194,-2.5 -2,-0.4 2,-0.1 -0.981 5.1-151.0-125.6 121.1 -12.2 34.6 -2.5 4 4 A T - 0 0 71 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.287 15.4-131.8 -80.4 176.7 -12.9 33.2 -6.0 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.099 74.9 107.8-123.3 22.4 -11.7 29.7 -6.9 6 6 A W S S+ 0 0 173 184,-0.1 2,-0.3 185,-0.1 -1,-0.1 0.790 93.6 31.4 -65.9 -28.4 -10.0 30.2 -10.2 7 7 A Q S S- 0 0 160 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.819 111.5 -79.8-119.7 159.2 -6.8 29.5 -8.2 8 8 A R - 0 0 129 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.532 47.9-116.4 -60.0 134.2 -6.3 27.4 -5.1 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.486 49.3 171.2 -77.8 76.3 -7.6 29.3 -2.1 10 10 A L E +D 23 0B 82 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.716 6.2 178.4 -91.5 137.6 -4.2 29.5 -0.3 11 11 A V E -D 22 0B 5 11,-3.1 11,-2.6 -2,-0.4 2,-0.4 -0.905 29.8-109.7-133.6 158.9 -3.9 31.7 2.7 12 12 A T E -D 21 0B 65 -2,-0.3 55,-1.8 9,-0.2 2,-0.3 -0.744 35.7-172.9 -89.3 135.5 -1.1 32.5 5.2 13 13 A I E -DE 20 66B 2 7,-3.2 7,-2.5 -2,-0.4 2,-0.5 -0.917 18.4-148.0-127.1 157.0 -1.4 31.2 8.7 14 14 A K E +DE 19 65B 99 51,-1.8 51,-2.8 -2,-0.3 2,-0.3 -1.000 30.1 157.9-123.1 121.9 0.5 31.7 12.0 15 15 A I E > -DE 18 64B 2 3,-2.4 3,-2.3 -2,-0.5 49,-0.1 -0.986 64.7 -1.9-148.9 135.3 0.7 28.7 14.3 16 16 A G T 3 S- 0 0 50 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.808 128.9 -58.1 53.8 33.0 3.1 27.8 17.0 17 17 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.455 116.5 111.7 79.6 -0.4 5.1 30.9 16.2 18 18 A Q E < -D 15 0B 83 -3,-2.3 -3,-2.4 2,-0.0 2,-0.4 -0.821 62.2-134.3-110.4 146.5 5.7 29.8 12.6 19 19 A L E +D 14 0B 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.856 35.5 159.7 -99.9 133.7 4.3 31.2 9.3 20 20 A K E -D 13 0B 40 -7,-2.5 -7,-3.2 -2,-0.4 2,-0.4 -0.907 37.0-115.1-142.1 166.3 3.0 28.8 6.8 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.862 34.8 179.8-104.2 144.0 0.7 28.5 3.8 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-3.1 -2,-0.4 2,-0.5 -0.985 26.0-119.5-148.5 155.3 -2.5 26.5 3.9 23 23 A L E -Df 10 84B 5 60,-2.9 62,-2.9 -2,-0.3 2,-0.7 -0.806 21.5-131.3 -95.0 125.6 -5.4 25.6 1.7 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.679 34.9-175.4 -77.5 113.7 -9.0 26.6 2.6 25 25 A D > - 0 0 0 60,-2.7 3,-1.8 -2,-0.7 62,-0.3 -0.849 26.7-180.0-124.1 101.2 -10.7 23.2 2.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.3 -1,-0.1 0.625 86.2 64.4 -71.6 -10.3 -14.5 22.9 2.5 27 27 A G T 3 S+ 0 0 9 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.450 87.8 86.1 -87.9 -5.5 -14.1 19.2 1.7 28 28 A A < - 0 0 10 -3,-1.8 59,-3.3 57,-0.2 60,-0.2 -0.883 55.6-167.4-102.3 122.3 -12.1 18.7 4.9 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.1 172,-0.3 2,-0.2 0.867 79.6 36.5 -65.2 -38.4 -13.9 18.0 8.2 30 30 A D S S- 0 0 54 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.656 83.8-112.2-117.5 164.7 -10.6 18.5 10.0 31 31 A T - 0 0 0 43,-0.4 45,-3.0 -2,-0.2 2,-0.5 -0.891 34.6-171.3-101.8 126.7 -7.5 20.7 9.8 32 32 A V E -gH 76 84B 9 52,-2.1 52,-3.2 -2,-0.5 2,-0.4 -0.981 2.2-172.4-130.9 119.8 -4.3 18.8 8.8 33 33 A L E -g 77 0B 0 43,-3.5 45,-2.4 -2,-0.5 47,-0.2 -0.838 28.3-107.2-114.4 146.5 -0.8 20.2 8.9 34 34 A E - 0 0 84 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.227 68.9 -55.0 -58.7 164.1 2.5 18.8 7.7 35 35 A E S S+ 0 0 109 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.053 76.0 143.3 -48.4 137.1 4.9 17.8 10.5 36 36 A M - 0 0 12 -3,-0.1 2,-0.4 2,-0.1 -3,-0.1 -0.945 51.8 -98.9-172.1 147.5 5.7 20.4 13.0 37 37 A S + 0 0 102 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.662 40.1 172.9 -82.1 133.3 6.3 20.6 16.7 38 38 A L - 0 0 10 -2,-0.4 2,-0.1 2,-0.1 -2,-0.1 -0.965 24.9-128.3-128.3 146.8 3.3 21.6 18.8 39 39 A P + 0 0 101 0, 0.0 -23,-0.0 0, 0.0 0, 0.0 -0.243 60.3 33.8 -88.1-178.3 3.4 21.6 22.6 40 40 A G S S- 0 0 63 19,-0.1 -2,-0.1 -2,-0.1 2,-0.1 -0.161 97.4 -20.2 76.5-169.5 1.1 20.0 25.1 41 41 A R + 0 0 140 19,-0.0 19,-0.5 18,-0.0 2,-0.3 -0.350 57.4 179.1 -77.6 152.2 -0.9 16.9 25.0 42 42 A W - 0 0 116 17,-0.2 17,-0.2 -2,-0.1 -2,-0.0 -0.964 16.2-144.0-151.6 155.5 -1.9 15.1 21.9 43 43 A K E -I 58 0B 137 15,-1.8 15,-2.7 -2,-0.3 13,-0.0 -0.961 27.3-108.0-124.6 138.8 -3.9 11.9 21.0 44 44 A P E +I 57 0B 89 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.385 44.2 170.7 -65.3 145.3 -3.2 9.4 18.1 45 45 A K E -I 56 0B 79 11,-2.0 11,-3.7 -2,-0.0 2,-0.4 -0.987 27.8-144.1-151.8 153.1 -5.7 9.5 15.2 46 46 A M E -I 55 0B 107 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.951 20.9-176.8-111.8 139.9 -6.2 8.1 11.7 47 47 A I E -I 54 0B 14 7,-2.6 7,-3.3 -2,-0.4 2,-0.3 -0.971 9.6-147.7-134.1 152.8 -7.9 10.1 8.9 48 48 A G E +I 53 0B 38 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.822 20.2 157.4-121.1 162.1 -8.9 9.2 5.4 49 49 A G E > -I 52 0B 12 3,-2.2 3,-0.7 101,-0.3 100,-0.1 -0.758 60.0 -44.2-153.4-155.3 -9.1 11.0 2.0 50 50 A I T 3 S+ 0 0 8 151,-0.8 101,-0.1 1,-0.3 103,-0.1 0.873 132.7 29.4 -53.7 -48.4 -9.1 10.3 -1.7 51 51 A G T 3 S- 0 0 25 99,-0.8 2,-0.4 101,-0.4 102,-0.3 0.531 122.8 -73.9 -96.6 -2.6 -6.2 7.9 -1.8 52 52 A G E < -I 49 0B 24 98,-0.8 -3,-2.2 -3,-0.7 2,-0.3 -0.988 61.6 -43.3 148.0-152.9 -6.3 6.3 1.6 53 53 A F E -I 48 0B 155 -2,-0.4 2,-0.3 98,-0.3 -5,-0.3 -0.844 36.9-165.3-121.4 153.8 -5.7 6.8 5.3 54 54 A I E -I 47 0B 21 -7,-3.3 -7,-2.6 -2,-0.3 2,-0.5 -0.972 22.8-120.2-132.6 160.5 -2.9 8.4 7.3 55 55 A K E +I 46 0B 153 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.792 38.5 178.0 -90.5 130.0 -1.9 8.5 11.0 56 56 A V E -I 45 0B 7 -11,-3.7 -11,-2.0 -2,-0.5 2,-0.5 -0.833 32.0-119.2-126.7 163.9 -1.9 11.9 12.6 57 57 A R E -IJ 44 77B 58 20,-3.8 20,-3.1 -2,-0.3 2,-0.5 -0.953 30.2-143.6 -99.1 123.7 -1.2 13.5 16.0 58 58 A Q E -IJ 43 76B 53 -15,-2.7 -15,-1.8 -2,-0.5 2,-0.4 -0.822 18.4-176.2 -91.9 125.9 -4.3 15.3 17.3 59 59 A Y E - J 0 75B 8 16,-2.4 16,-2.9 -2,-0.5 3,-0.3 -0.981 9.5-155.3-118.4 127.3 -3.7 18.6 19.3 60 60 A D E + 0 0 54 -19,-0.5 14,-0.2 -2,-0.4 13,-0.1 -0.580 66.1 20.8-101.1 168.6 -6.6 20.5 20.9 61 61 A Q E S+ 0 0 130 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.839 79.2 162.7 49.5 47.0 -7.1 24.1 21.8 62 62 A I E - J 0 73B 24 11,-2.5 11,-2.0 -3,-0.3 2,-0.4 -0.861 37.2-127.5-101.7 131.7 -4.4 25.4 19.5 63 63 A L E + J 0 72B 85 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.581 31.3 175.2 -76.8 125.9 -4.2 29.0 18.4 64 64 A I E -EJ 15 71B 0 7,-3.4 7,-2.4 -2,-0.4 2,-0.7 -0.997 22.5-150.1-129.4 135.2 -4.1 29.6 14.7 65 65 A E E -EJ 14 70B 64 -51,-2.8 -51,-1.8 -2,-0.4 2,-0.6 -0.946 18.0-175.3-101.0 114.4 -4.1 33.0 13.0 66 66 A I E > S-EJ 13 69B 0 3,-3.3 3,-1.6 -2,-0.7 -53,-0.2 -0.958 74.6 -24.0-112.2 112.9 -5.8 32.6 9.6 67 67 A X T 3 S- 0 0 100 -55,-1.8 -1,-0.2 -2,-0.6 -54,-0.1 0.894 128.2 -50.1 50.8 41.2 -5.8 35.8 7.6 68 68 A G T 3 S+ 0 0 62 1,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.566 114.9 121.3 76.9 5.4 -5.5 37.8 10.8 69 69 A H E < - J 0 66B 70 -3,-1.6 -3,-3.3 2,-0.0 2,-0.4 -0.925 56.2-143.9-104.2 118.1 -8.4 35.9 12.3 70 70 A K E + J 0 65B 149 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.2 -0.626 25.6 169.8 -80.8 132.9 -7.5 34.1 15.5 71 71 A V E - J 0 64B 8 -7,-2.4 -7,-3.4 -2,-0.4 2,-0.4 -0.969 24.0-148.2-140.9 152.4 -9.1 30.8 16.2 72 72 A I E + J 0 63B 93 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.986 43.7 116.5-119.9 120.3 -8.5 28.1 18.8 73 73 A G E - J 0 62B 9 -11,-2.0 -11,-2.5 -2,-0.4 2,-0.3 -0.950 62.0 -53.8-166.0-169.3 -9.3 24.5 17.7 74 74 A T E - 0 0 36 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.4 -0.599 44.0-169.6 -85.7 139.7 -8.1 21.1 17.0 75 75 A V E - J 0 59B 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.5 -0.990 10.8-148.7-128.9 130.8 -5.2 20.6 14.7 76 76 A L E -gJ 32 58B 1 -45,-3.0 -43,-3.5 -2,-0.4 2,-0.4 -0.823 12.0-160.0 -97.7 133.9 -4.0 17.3 13.3 77 77 A V E +gJ 33 57B 0 -20,-3.1 -20,-3.8 -2,-0.5 -43,-0.2 -0.966 35.8 96.3-118.2 133.4 -0.3 17.0 12.5 78 78 A G S S- 0 0 2 -45,-2.4 2,-2.2 -2,-0.4 -43,-0.3 -0.974 76.2 -33.6 173.0-171.3 1.0 14.3 10.1 79 79 A P + 0 0 89 0, 0.0 72,-0.3 0, 0.0 -45,-0.1 -0.339 69.7 144.3 -81.5 62.5 2.2 13.2 6.7 80 80 A T - 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