==== 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 04-JUN-07 2Q64 . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.REZACOVA,M.KOZISEK,K.SASKOVA,J.BRYNDA,J.KONVALINKA . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.9 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 . 26 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 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 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 3 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 93 0, 0.0 198,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.0 -27.3 30.0 25.2 2 2 A Q E -A 198 0A 123 196,-0.2 2,-0.4 197,-0.2 196,-0.2 -0.764 360.0-160.7 -91.7 153.0 -24.9 30.8 28.0 3 3 A I E -A 197 0A 38 194,-1.9 194,-2.7 -2,-0.3 2,-0.1 -0.976 6.3-150.3-139.5 116.8 -23.7 27.7 29.8 4 4 A T - 0 0 83 -2,-0.4 3,-0.2 192,-0.2 192,-0.1 -0.366 20.1-127.6 -74.2 173.1 -22.2 27.6 33.3 5 5 A L S S+ 0 0 0 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.059 75.5 108.1-119.2 24.5 -19.7 24.9 34.1 6 6 A W S S+ 0 0 160 184,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.815 90.5 29.8 -72.5 -32.8 -21.0 23.3 37.4 7 7 A Q S S- 0 0 154 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.738 112.7 -75.4-111.5 169.0 -22.0 20.2 35.4 8 8 A R - 0 0 102 -2,-0.2 2,-1.7 1,-0.1 119,-0.1 -0.444 50.1-115.9 -58.7 135.1 -20.4 18.8 32.2 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.581 49.2 174.2 -78.0 81.2 -21.4 21.0 29.2 10 10 A L E -D 23 0B 83 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.742 7.1-178.2 -94.5 133.4 -23.4 18.3 27.4 11 11 A V E -D 22 0B 7 11,-3.2 11,-2.7 -2,-0.4 2,-0.4 -0.889 29.6-109.4-125.7 157.1 -25.3 19.2 24.2 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.5 9,-0.2 2,-0.3 -0.719 37.8-171.7 -81.6 136.2 -27.6 17.2 21.8 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.9 -2,-0.4 2,-0.5 -0.949 19.1-151.6-125.8 149.5 -26.1 16.6 18.3 14 14 A K E +DE 19 65B 100 51,-1.8 51,-2.7 -2,-0.3 2,-0.3 -0.983 28.6 159.4-117.7 116.7 -27.5 15.1 15.1 15 15 A I E > -DE 18 64B 1 3,-2.5 3,-2.2 -2,-0.5 49,-0.1 -0.996 66.7 -4.2-137.0 139.9 -24.9 13.4 12.9 16 16 A G T 3 S- 0 0 44 47,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.822 129.6 -56.1 42.8 43.0 -25.5 10.9 10.1 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.252 117.1 113.9 80.6 -10.6 -29.3 10.8 10.9 18 18 A Q E < -D 15 0B 67 -3,-2.2 -3,-2.5 1,-0.0 2,-0.5 -0.696 62.9-134.0-101.6 143.9 -28.5 9.9 14.5 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.813 33.7 167.9 -94.1 128.1 -29.0 11.8 17.8 20 20 A K E -D 13 0B 46 -7,-2.9 -7,-3.3 -2,-0.5 2,-0.4 -0.910 33.0-125.6-131.6 161.0 -26.1 11.8 20.2 21 21 A E E -D 12 0B 114 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.906 35.8-179.3-103.9 141.6 -25.1 13.6 23.3 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-3.2 -2,-0.4 2,-0.5 -0.981 27.4-115.5-145.4 155.6 -21.7 15.3 23.3 23 23 A L E -Df 10 84B 6 60,-3.5 62,-3.1 -2,-0.3 2,-0.7 -0.759 21.5-134.2 -93.7 123.2 -19.3 17.4 25.4 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.744 35.1-173.5 -74.6 114.8 -18.4 21.0 24.4 25 25 A D > + 0 0 17 60,-2.4 3,-1.8 -2,-0.7 62,-0.3 -0.862 28.9 179.7-131.9 94.1 -14.7 20.7 24.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.642 87.3 62.2 -69.8 -16.8 -12.5 23.8 24.7 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.482 88.6 84.4 -81.9 -6.6 -9.5 21.5 25.4 28 28 A A < - 0 0 17 -3,-1.8 59,-3.0 57,-0.2 60,-0.2 -0.873 54.5-168.1-104.2 126.6 -10.0 19.4 22.3 29 29 A D S S+ 0 0 54 -2,-0.5 59,-1.0 57,-0.2 2,-0.3 0.766 78.4 43.3 -73.0 -29.5 -8.5 20.5 18.9 30 30 A N S S- 0 0 55 57,-0.1 2,-0.5 58,-0.1 57,-0.1 -0.754 83.1-115.3-121.4 159.5 -10.6 17.9 17.2 31 31 A T E -g 75 0B 1 43,-0.5 45,-2.7 -2,-0.3 2,-0.5 -0.864 34.3-172.1 -95.8 124.4 -14.1 16.4 17.3 32 32 A V E -gH 76 84B 6 52,-1.8 52,-3.4 -2,-0.5 2,-0.3 -0.978 2.3-168.9-126.8 123.7 -14.2 12.8 18.4 33 33 A L E -g 77 0B 0 43,-3.5 45,-2.4 -2,-0.5 47,-0.2 -0.845 25.1-110.8-113.7 144.2 -17.2 10.5 18.3 34 34 A E - 0 0 83 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.169 67.0 -52.7 -59.0 162.8 -17.8 7.1 19.8 35 35 A E S S+ 0 0 118 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.127 80.4 147.0 -39.9 120.0 -18.2 4.1 17.5 36 36 A M - 0 0 16 -3,-0.2 2,-0.8 2,-0.0 -3,-0.1 -0.985 52.8-100.0-156.1 162.0 -20.8 4.9 14.9 37 37 A S + 0 0 98 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.788 41.8 174.4 -87.7 107.8 -21.8 4.2 11.3 38 38 A L - 0 0 12 -2,-0.8 2,-0.2 2,-0.1 -2,-0.0 -0.947 28.1-123.2-110.2 136.1 -20.9 7.2 9.1 39 39 A P + 0 0 101 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.498 64.7 29.6 -75.7 148.2 -21.3 7.1 5.3 40 40 A G S S- 0 0 61 -2,-0.2 2,-0.1 19,-0.0 -2,-0.1 -0.312 91.4 -34.6 107.9 176.9 -18.4 7.7 2.9 41 41 A A - 0 0 101 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.436 54.0-171.1 -73.4 146.9 -14.6 7.4 2.6 42 42 A W - 0 0 133 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.883 15.0-135.1-133.4 163.1 -12.3 7.9 5.6 43 43 A K E -I 58 0B 137 15,-1.9 15,-2.9 -2,-0.3 2,-0.1 -0.935 29.1-107.2-117.2 145.8 -8.5 8.2 6.3 44 44 A P E +I 57 0B 106 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.437 47.6 166.9 -61.6 146.9 -6.5 6.5 9.1 45 45 A K E -I 56 0B 85 11,-1.1 11,-2.2 -2,-0.1 2,-0.4 -0.978 26.9-148.6-159.6 149.5 -5.4 8.9 11.9 46 46 A M E -I 55 0B 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.997 15.8-171.2-126.2 131.6 -4.0 8.8 15.4 47 47 A I E -I 54 0B 14 7,-1.9 7,-2.2 -2,-0.4 2,-0.4 -0.950 15.5-130.0-125.0 145.8 -4.8 11.3 18.1 48 48 A G E +I 53 0B 50 -2,-0.4 5,-0.2 5,-0.2 103,-0.1 -0.766 24.9 170.7-101.4 132.2 -3.3 11.9 21.6 49 49 A G - 0 0 26 3,-2.8 102,-0.1 -2,-0.4 3,-0.1 -0.076 51.9 -77.4-108.3-143.4 -5.0 12.3 24.9 50 50 A I S S+ 0 0 29 100,-0.5 101,-0.1 1,-0.2 103,-0.1 0.838 127.9 47.1 -75.8 -44.9 -3.9 12.4 28.6 51 51 A G S S- 0 0 18 99,-0.5 2,-0.3 101,-0.1 102,-0.3 -0.080 120.3 -71.0 133.4 -86.7 -3.6 9.4 28.3 52 52 A G - 0 0 29 98,-0.4 -3,-2.8 100,-0.2 2,-0.3 -0.946 67.6 -58.1 139.3-156.8 -1.9 7.8 25.4 53 53 A F E -I 48 0B 148 98,-0.4 2,-0.4 -2,-0.3 -5,-0.2 -0.905 36.0-155.7-124.8 149.0 -3.2 7.5 21.8 54 54 A I E -I 47 0B 17 -7,-2.2 -7,-1.9 -2,-0.3 2,-0.5 -0.945 20.5-125.0-119.4 148.5 -6.3 6.1 20.1 55 55 A K E +I 46 0B 160 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.819 39.3 177.7 -84.7 125.1 -6.7 5.0 16.5 56 56 A V E -I 45 0B 7 -11,-2.2 -11,-1.1 -2,-0.5 2,-0.6 -0.836 32.9-118.1-123.1 161.5 -9.7 6.8 14.9 57 57 A R E -IJ 44 77B 54 20,-3.0 20,-2.1 -2,-0.3 2,-0.5 -0.914 31.9-140.4 -97.7 122.7 -11.4 7.0 11.4 58 58 A Q E -IJ 43 76B 40 -15,-2.9 -15,-1.9 -2,-0.6 2,-0.4 -0.750 19.6-175.7 -89.1 127.1 -11.1 10.5 9.9 59 59 A Y E - J 0 75B 9 16,-2.3 16,-2.8 -2,-0.5 3,-0.4 -0.984 9.2-155.8-123.8 121.4 -14.2 11.9 8.1 60 60 A D E + 0 0 71 -2,-0.4 14,-0.2 -19,-0.4 13,-0.0 -0.572 68.1 14.7 -96.9 156.6 -14.0 15.3 6.3 61 61 A Q E S+ 0 0 165 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.779 79.8 166.1 51.3 38.1 -16.8 17.7 5.4 62 62 A I E - J 0 73B 24 11,-2.3 11,-1.8 -3,-0.4 2,-0.4 -0.672 34.5-130.7 -81.5 129.9 -19.4 16.1 7.7 63 63 A L E + J 0 72B 96 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.686 31.9 175.6 -79.4 130.7 -22.6 17.9 8.5 64 64 A I E -EJ 15 71B 0 7,-2.8 7,-1.9 -2,-0.4 2,-0.7 -0.999 25.3-145.1-140.1 129.5 -23.4 18.0 12.2 65 65 A E E -EJ 14 70B 63 -51,-2.7 -51,-1.8 -2,-0.4 2,-0.6 -0.887 19.0-167.9 -97.6 111.2 -26.2 19.8 14.0 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-1.7 -2,-0.7 -53,-0.2 -0.899 70.8 -30.9-107.6 112.9 -24.9 21.1 17.4 67 67 A C T 3 S- 0 0 63 -55,-2.5 -1,-0.2 -2,-0.6 -54,-0.1 0.766 126.8 -47.0 48.9 33.6 -27.6 22.3 19.8 68 68 A G T 3 S+ 0 0 57 1,-0.3 2,-0.5 -56,-0.3 -1,-0.3 0.613 117.4 114.3 85.4 13.1 -29.7 23.4 16.7 69 69 A H E < - J 0 66B 60 -3,-1.7 -3,-3.1 2,-0.0 -1,-0.3 -0.976 63.1-134.4-111.0 125.6 -26.8 25.1 15.0 70 70 A K E + J 0 65B 142 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.610 30.8 169.0 -82.2 139.6 -25.6 23.6 11.7 71 71 A A E - J 0 64B 5 -7,-1.9 -7,-2.8 -2,-0.3 2,-0.4 -0.993 22.7-149.8-149.6 142.2 -21.8 23.1 11.2 72 72 A I E + J 0 63B 103 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.955 40.9 110.1-115.4 133.0 -19.6 21.3 8.6 73 73 A G E - 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