==== 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 16-OCT-07 2RKF . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.REZACOVA,J.BRYNDA,M.KOZISEK,K.G.SASKOVA,J.KONVALINKA . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.9 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 . 20 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.1 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 2 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 89 0, 0.0 198,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 148.9 -39.8 8.6 1.7 2 2 A Q E -A 198 0A 111 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.957 360.0-164.7-108.2 134.1 -39.4 6.2 -1.2 3 3 A I E -A 197 0A 33 194,-2.9 194,-2.3 -2,-0.4 2,-0.1 -0.977 9.8-149.3-126.8 123.9 -36.2 6.8 -3.1 4 4 A T - 0 0 83 -2,-0.4 3,-0.3 192,-0.2 192,-0.1 -0.398 20.1-127.7 -81.5 171.5 -35.3 5.4 -6.6 5 5 A L S S+ 0 0 0 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.076 76.0 107.6-117.7 23.3 -31.6 4.7 -7.4 6 6 A W S S+ 0 0 184 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.741 90.6 35.6 -68.5 -23.9 -30.9 6.6 -10.6 7 7 A Q S S- 0 0 159 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.866 109.8 -81.0-121.7 160.4 -28.8 9.0 -8.4 8 8 A R - 0 0 132 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.423 48.8-118.5 -60.5 132.4 -26.7 8.3 -5.4 9 9 A P + 0 0 1 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.503 47.2 169.6 -77.7 76.0 -29.0 8.1 -2.3 10 10 A F E -D 23 0B 67 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.630 10.0-179.4 -86.2 144.9 -27.8 11.0 -0.2 11 11 A V E -D 22 0B 12 11,-2.4 11,-2.4 -2,-0.3 2,-0.4 -0.938 30.4-109.6-133.9 160.5 -29.6 12.3 2.9 12 12 A T E -D 21 0B 79 -2,-0.3 55,-2.5 9,-0.2 2,-0.4 -0.731 36.0-172.6 -89.5 139.1 -28.8 15.1 5.3 13 13 A V E -DE 20 66B 2 7,-2.8 7,-2.1 -2,-0.4 2,-0.5 -0.963 15.0-150.5-130.1 149.8 -27.6 14.1 8.7 14 14 A K E +DE 19 65B 89 51,-2.3 51,-2.5 -2,-0.4 2,-0.4 -0.988 21.2 168.9-120.8 125.9 -27.0 16.1 11.9 15 15 A I E > -DE 18 64B 1 3,-2.6 3,-2.2 -2,-0.5 49,-0.1 -0.990 68.2 -13.0-140.6 124.6 -24.4 14.9 14.4 16 16 A A T 3 S- 0 0 58 47,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.892 128.7 -53.3 51.9 45.4 -23.0 16.8 17.4 17 17 A G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.413 115.9 115.3 75.4 -2.0 -24.4 20.0 16.0 18 18 A Q E < -D 15 0B 65 -3,-2.2 -3,-2.6 2,-0.0 2,-0.4 -0.834 54.6-143.8-107.0 143.2 -22.8 19.6 12.6 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.797 30.0 146.6-105.4 142.8 -24.6 19.0 9.2 20 20 A M E -D 13 0B 33 -7,-2.1 -7,-2.8 -2,-0.4 2,-0.4 -0.952 41.3-111.6-157.1 171.4 -23.4 16.8 6.4 21 21 A E E -D 12 0B 118 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.899 32.9-176.2-109.3 149.3 -24.7 14.6 3.7 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.4 -2,-0.4 2,-0.4 -0.988 27.3-110.6-144.5 151.4 -24.2 10.8 3.7 23 23 A L E -Df 10 84B 11 60,-2.9 62,-3.5 -2,-0.3 2,-0.7 -0.660 23.3-131.6 -83.2 128.3 -25.0 7.9 1.4 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.5 -2,-0.4 62,-0.1 -0.743 37.9-173.6 -74.8 115.5 -27.7 5.4 2.5 25 25 A D > - 0 0 13 60,-2.5 3,-1.5 -2,-0.7 62,-0.3 -0.877 29.5-178.4-131.6 99.4 -25.7 2.3 1.9 26 26 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 98,-0.1 0.673 86.6 62.5 -68.6 -19.2 -27.2 -1.2 2.2 27 27 A G T 3 S+ 0 0 21 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.381 89.5 85.0 -86.3 5.4 -23.8 -2.7 1.4 28 28 A A < - 0 0 16 -3,-1.5 59,-3.0 57,-0.2 60,-0.2 -0.929 56.4-166.9-111.5 126.4 -22.2 -1.2 4.5 29 29 A D S S+ 0 0 76 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.826 78.2 35.6 -72.2 -34.2 -22.5 -3.0 7.9 30 30 A D S S- 0 0 63 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.732 82.4-111.7-124.3 166.4 -21.3 0.1 9.7 31 31 A T - 0 0 1 43,-0.4 45,-2.6 -2,-0.2 2,-0.4 -0.834 31.7-173.3-105.4 131.7 -21.6 3.9 9.5 32 32 A I E -gH 76 84B 9 52,-2.0 52,-3.0 -2,-0.4 2,-0.3 -0.994 0.5-171.7-132.3 128.6 -18.4 5.8 8.6 33 33 A L E -g 77 0B 2 43,-3.1 45,-2.2 -2,-0.4 47,-0.2 -0.888 30.3 -98.8-122.7 149.1 -18.0 9.6 8.6 34 34 A E - 0 0 96 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.154 66.7 -63.3 -57.6 157.6 -15.3 11.9 7.4 35 35 A E S S+ 0 0 124 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.184 76.3 150.6 -49.2 121.6 -12.9 13.3 10.0 36 36 A M - 0 0 14 -3,-0.2 2,-0.9 2,-0.0 -3,-0.1 -0.967 52.8 -93.5-150.2 160.5 -14.8 15.4 12.5 37 37 A S + 0 0 89 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.741 45.0 168.0 -80.5 105.3 -14.7 16.5 16.1 38 38 A L - 0 0 12 -2,-0.9 2,-0.1 2,-0.1 -2,-0.0 -0.977 34.1-122.9-109.0 135.0 -16.8 14.1 18.1 39 39 A P + 0 0 102 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.427 60.9 20.0 -77.3 156.2 -16.3 14.5 21.8 40 40 A G S S- 0 0 59 -2,-0.1 -2,-0.1 19,-0.0 0, 0.0 -0.141 92.8 -18.7 87.8 178.3 -15.2 11.8 24.2 41 41 A R + 0 0 208 1,-0.0 19,-0.3 18,-0.0 2,-0.3 -0.184 56.7 176.5 -62.0 155.3 -13.5 8.4 24.4 42 42 A W - 0 0 108 17,-0.1 17,-0.2 15,-0.0 -1,-0.0 -0.868 23.0-123.1-145.9 177.5 -13.2 6.2 21.3 43 43 A T E -I 58 0B 55 15,-1.6 15,-2.9 -2,-0.3 2,-0.1 -0.996 26.5-114.3-129.7 135.0 -11.6 2.8 20.1 44 44 A P E +I 57 0B 101 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.441 45.6 164.9 -62.1 139.6 -9.1 2.2 17.3 45 45 A K E -I 56 0B 82 11,-2.1 11,-3.6 -2,-0.1 2,-0.4 -0.971 28.4-143.0-151.1 157.2 -10.7 0.0 14.5 46 46 A V E -I 55 0B 77 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.995 13.5-160.7-125.3 135.5 -9.9 -0.9 10.9 47 47 A V E -I 54 0B 15 7,-2.7 7,-2.2 -2,-0.4 2,-0.5 -0.934 10.5-139.4-115.9 140.3 -12.5 -1.3 8.2 48 48 A G E +I 53 0B 49 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.845 27.6 163.8-102.5 127.8 -12.1 -3.2 4.9 49 49 A G E > -I 52 0B 21 3,-3.3 3,-0.7 -2,-0.5 102,-0.1 -0.426 55.9 -66.7-117.9-156.9 -13.4 -1.9 1.7 50 50 A I T 3 S+ 0 0 32 1,-0.2 101,-0.1 -2,-0.2 3,-0.1 0.778 129.5 37.5 -66.8 -30.4 -12.9 -2.6 -2.0 51 51 A G T 3 S- 0 0 25 99,-1.8 102,-0.3 101,-0.3 2,-0.3 0.382 124.2 -77.8-104.4 3.3 -9.3 -1.3 -2.2 52 52 A G E < -I 49 0B 27 -3,-0.7 -3,-3.3 98,-0.6 -1,-0.3 -0.974 68.9 -32.7 136.4-151.3 -8.0 -2.5 1.2 53 53 A F E -I 48 0B 153 98,-0.3 2,-0.4 -2,-0.3 -5,-0.2 -0.720 38.6-160.4-114.8 158.4 -8.3 -1.3 4.8 54 54 A M E -I 47 0B 16 -7,-2.2 -7,-2.7 -2,-0.3 2,-0.3 -1.000 20.1-126.2-139.6 135.2 -8.6 2.0 6.6 55 55 A K E +I 46 0B 173 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.615 38.1 172.3 -79.8 134.0 -7.9 2.9 10.2 56 56 A V E -I 45 0B 9 -11,-3.6 -11,-2.1 -2,-0.3 2,-0.5 -0.890 34.5-117.7-135.5 169.0 -10.9 4.6 12.0 57 57 A R E -IJ 44 77B 56 20,-2.7 20,-2.7 -2,-0.3 2,-0.6 -0.940 28.7-143.2-107.6 129.3 -12.0 5.8 15.4 58 58 A Q E -IJ 43 76B 45 -15,-2.9 -15,-1.6 -2,-0.5 2,-0.5 -0.856 16.2-172.1 -98.7 122.9 -15.0 4.0 16.8 59 59 A Y E - J 0 75B 7 16,-3.1 16,-2.8 -2,-0.6 3,-0.4 -0.964 10.7-151.5-114.6 128.4 -17.5 6.2 18.8 60 60 A D E + 0 0 71 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.563 66.6 15.2 -98.9 161.2 -20.4 4.5 20.6 61 61 A Q E S+ 0 0 171 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.858 78.8 167.1 47.8 47.1 -23.9 5.6 21.5 62 62 A I E - J 0 73B 23 11,-2.8 11,-2.2 -3,-0.4 2,-0.5 -0.810 35.2-128.3 -91.6 131.1 -23.7 8.6 19.2 63 63 A L E - J 0 72B 85 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.671 29.0-174.2 -78.3 124.2 -27.0 10.5 18.4 64 64 A V E -EJ 15 71B 2 7,-3.2 7,-2.8 -2,-0.5 2,-0.7 -0.972 18.5-153.7-123.8 132.5 -27.6 10.9 14.7 65 65 A E E -EJ 14 70B 52 -51,-2.5 -51,-2.3 -2,-0.4 2,-0.7 -0.914 18.8-172.1-106.5 104.2 -30.4 12.8 13.2 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-1.8 -2,-0.7 -53,-0.2 -0.887 74.7 -22.8-108.7 110.3 -31.0 11.2 9.8 67 67 A C T 3 S- 0 0 67 -55,-2.5 -1,-0.2 -2,-0.7 -54,-0.1 0.859 128.5 -54.6 57.3 33.6 -33.4 13.1 7.6 68 68 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.3 -56,-0.3 2,-0.2 0.087 113.0 122.7 88.9 -26.3 -34.7 14.5 10.9 69 69 A H E < - 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