==== 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 25-JUL-00 1FG8 . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR B.MAHALINGAM,J.M.LOUIS,R.W.HARRISON,I.T.WEBER . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.5 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 . 31 15.6 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 3 1 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 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 C P 0 0 92 0, 0.0 198,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 179.0 11.9 15.1 29.3 2 2 C Q E -A 198 0A 125 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.970 360.0-162.8-119.3 132.5 8.4 14.9 27.9 3 3 C I E -A 197 0A 30 194,-3.3 194,-2.5 -2,-0.4 2,-0.1 -0.958 9.4-149.2-119.4 115.9 7.7 14.0 24.2 4 4 C T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.312 13.6-131.6 -75.4 167.5 4.3 14.8 22.7 5 5 C L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.199 77.6 102.7-111.0 19.7 2.8 12.7 20.0 6 6 C W S S+ 0 0 189 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.882 96.3 27.4 -63.7 -40.1 1.8 15.2 17.3 7 7 C K S S- 0 0 167 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.750 112.6 -75.5-114.7 165.9 4.9 14.2 15.4 8 8 C R - 0 0 123 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.392 52.1-112.5 -61.5 136.0 6.7 10.8 15.5 9 9 C P + 0 0 1 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.500 52.5 169.3 -75.4 78.3 8.7 10.5 18.7 10 10 C L E +D 23 0B 87 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.702 6.8 170.2 -95.6 141.5 12.2 10.7 17.3 11 11 C V E -D 22 0B 16 11,-2.4 11,-2.8 -2,-0.3 2,-0.4 -0.908 37.0 -99.6-141.5 165.7 15.4 11.1 19.3 12 12 C T E -D 21 0B 66 -2,-0.3 55,-2.5 9,-0.2 2,-0.3 -0.728 40.6-175.7 -89.2 137.4 19.1 10.9 18.7 13 13 C I E -DE 20 66B 2 7,-2.7 7,-2.2 -2,-0.4 2,-0.4 -0.868 19.0-140.3-127.9 162.9 20.8 7.7 19.8 14 14 C K E +DE 19 65B 92 51,-1.8 51,-1.6 -2,-0.3 2,-0.3 -0.986 30.6 159.2-129.6 118.0 24.4 6.6 19.9 15 15 C I E > -DE 18 64B 1 3,-3.0 3,-2.3 -2,-0.4 49,-0.1 -0.999 65.1 -2.4-142.6 136.8 25.3 3.0 18.8 16 16 C G T 3 S- 0 0 53 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.764 130.8 -55.5 55.8 27.9 28.5 1.4 17.6 17 17 C G T 3 S+ 0 0 59 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.589 117.9 110.9 81.2 13.0 30.2 4.8 17.8 18 18 C Q E < -D 15 0B 102 -3,-2.3 -3,-3.0 2,-0.0 2,-0.4 -0.946 62.7-134.3-125.1 144.5 27.6 6.3 15.5 19 19 C L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.798 34.7 164.1 -94.7 131.6 24.8 8.9 16.0 20 20 C K E -D 13 0B 23 -7,-2.2 -7,-2.7 -2,-0.4 2,-0.5 -0.854 38.5-111.9-138.6 171.1 21.4 8.0 14.5 21 21 C E E -D 12 0B 106 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.950 39.2-177.7-109.0 126.3 17.8 9.1 14.8 22 22 C A E -D 11 0B 0 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.5 -0.939 25.3-122.9-129.7 151.4 15.4 6.5 16.2 23 23 C L E -Df 10 84B 9 60,-3.5 62,-2.5 -2,-0.3 2,-0.8 -0.799 22.6-130.1 -94.1 123.6 11.7 6.3 16.9 24 24 C L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.5 62,-0.1 -0.646 33.1-170.8 -74.1 111.8 10.6 5.6 20.5 25 25 C D > + 0 0 2 60,-2.7 3,-1.4 -2,-0.8 62,-0.3 -0.864 26.4 178.3-117.7 104.3 8.2 2.7 20.0 26 26 C T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.664 87.7 60.1 -71.2 -18.9 6.0 1.5 22.9 27 27 C G T 3 S+ 0 0 1 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.321 89.5 87.1 -90.5 4.9 4.4 -1.1 20.5 28 28 C A < - 0 0 0 -3,-1.4 59,-3.0 57,-0.2 60,-0.2 -0.937 55.9-167.8-108.3 125.5 7.8 -2.7 19.8 29 29 C D S S+ 0 0 26 172,-3.0 59,-1.0 -2,-0.5 2,-0.2 0.829 77.9 37.4 -75.3 -34.2 9.0 -5.4 22.2 30 30 C D S S- 0 0 35 171,-0.4 2,-0.5 57,-0.1 57,-0.2 -0.651 83.4-113.5-115.2 170.2 12.5 -5.2 20.8 31 31 C T - 0 0 0 43,-0.4 45,-2.6 -2,-0.2 2,-0.5 -0.910 30.2-170.4-107.3 125.9 14.9 -2.6 19.5 32 32 C V E -gH 76 84B 0 52,-1.9 52,-3.2 -2,-0.5 2,-0.3 -0.980 0.8-168.4-124.0 121.5 15.7 -2.8 15.7 33 33 C I E -g 77 0B 0 43,-3.3 45,-1.9 -2,-0.5 3,-0.2 -0.836 31.4 -96.2-111.7 144.2 18.4 -0.7 14.2 34 34 C E E -g 78 0B 84 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.091 69.2 -59.6 -51.5 152.6 19.1 -0.1 10.5 35 35 C E S S+ 0 0 100 43,-0.5 2,-0.3 45,-0.2 -1,-0.2 -0.099 71.1 170.5 -40.1 118.1 21.8 -2.3 8.8 36 36 C M - 0 0 12 -3,-0.2 2,-1.7 2,-0.1 -3,-0.0 -0.997 41.9-128.1-137.6 144.3 25.1 -1.7 10.7 37 37 C S + 0 0 119 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.533 43.5 174.5 -90.5 68.6 28.4 -3.5 10.6 38 38 C L - 0 0 17 -2,-1.7 2,-0.1 1,-0.1 -2,-0.1 -0.568 27.5-124.7 -77.5 138.5 28.6 -4.0 14.3 39 39 C P + 0 0 112 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.473 65.5 44.2 -80.7 156.7 31.6 -6.0 15.6 40 40 C G S S- 0 0 61 -2,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.387 91.5 -30.4 106.4 176.9 31.1 -9.1 17.8 41 41 C R + 0 0 131 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.308 54.9 170.3 -72.0 151.6 28.9 -12.2 17.9 42 42 C W - 0 0 122 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.965 20.5-144.8-154.4 164.8 25.3 -12.4 16.7 43 43 C K E -I 58 0B 106 15,-1.3 15,-3.1 -2,-0.3 2,-0.1 -0.989 31.2-101.5-137.9 143.2 22.6 -14.9 16.0 44 44 C P E +I 57 0B 103 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.379 45.6 171.3 -63.3 141.8 19.9 -15.0 13.2 45 45 C K E -I 56 0B 59 11,-2.1 11,-2.7 -2,-0.1 2,-0.4 -0.966 27.0-140.5-149.8 159.6 16.4 -13.9 14.2 46 46 C M E -I 55 0B 107 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.996 19.0-172.9-125.6 124.9 13.0 -13.2 12.6 47 47 C I E -I 54 0B 4 7,-2.2 7,-2.3 -2,-0.4 2,-0.3 -0.953 7.6-155.4-120.3 143.2 10.9 -10.2 13.8 48 48 C G E +I 53 0B 0 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.778 21.0 148.5-119.2 163.3 7.4 -9.4 12.7 49 49 C G E > -I 52 0B 4 3,-2.1 3,-0.8 101,-0.4 100,-0.1 -0.715 63.1 -31.0-157.4-151.9 5.1 -6.5 12.5 50 50 C I T 3 S+ 0 0 17 1,-0.2 101,-0.1 -2,-0.2 103,-0.1 0.889 132.2 25.0 -46.3 -60.2 2.2 -5.2 10.3 51 51 C G T 3 S- 0 0 28 99,-1.1 2,-0.3 101,-0.5 -1,-0.2 0.317 122.2 -75.1 -97.0 10.6 3.1 -6.6 6.9 52 52 C G E < -I 49 0B 26 -3,-0.8 -3,-2.1 98,-0.7 2,-0.3 -0.949 63.7 -40.5 138.3-157.7 5.2 -9.6 7.8 53 53 C F E -I 48 0B 106 -2,-0.3 2,-0.3 98,-0.3 -5,-0.2 -0.724 35.5-158.9-113.6 158.9 8.6 -10.6 9.0 54 54 C I E -I 47 0B 24 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.4 -0.977 25.0-114.9-135.3 147.7 12.1 -9.5 8.4 55 55 C K E +I 46 0B 157 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.698 42.2 173.6 -83.0 129.8 15.5 -11.2 8.9 56 56 C V E -I 45 0B 5 -11,-2.7 -11,-2.1 -2,-0.4 2,-0.5 -0.883 32.5-121.4-135.8 164.2 17.7 -9.6 11.5 57 57 C R E -IJ 44 77B 45 20,-2.7 20,-2.4 -2,-0.3 2,-0.6 -0.948 26.1-143.1-109.1 122.2 21.0 -10.1 13.4 58 58 C Q E -IJ 43 76B 29 -15,-3.1 -15,-1.3 -2,-0.5 2,-0.5 -0.758 17.4-176.0 -91.3 116.8 20.7 -10.3 17.2 59 59 C Y E - J 0 75B 10 16,-2.5 16,-2.7 -2,-0.6 3,-0.4 -0.952 14.0-149.6-110.9 124.4 23.6 -8.7 19.1 60 60 C D E S+ 0 0 57 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.533 70.6 21.8 -91.8 161.6 23.5 -9.0 22.8 61 61 C Q E S+ 0 0 135 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.879 77.5 168.1 51.9 46.6 24.9 -6.6 25.4 62 62 C I E - J 0 73B 27 11,-3.8 11,-2.5 -3,-0.4 2,-0.5 -0.795 31.1-135.5 -94.0 129.8 24.9 -3.6 23.1 63 63 C I E + J 0 72B 119 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.759 30.7 172.3 -85.8 122.8 25.5 -0.2 24.7 64 64 C I E -EJ 15 71B 0 7,-2.7 7,-2.3 -2,-0.5 2,-0.5 -0.987 25.0-149.3-131.9 141.5 23.1 2.5 23.4 65 65 C E E -EJ 14 70B 75 -51,-1.6 -51,-1.8 -2,-0.4 2,-0.6 -0.964 15.5-162.4-110.5 121.7 22.6 6.0 24.6 66 66 C I E > S-EJ 13 69B 0 3,-4.1 3,-2.0 -2,-0.5 -53,-0.2 -0.940 71.4 -28.0-111.4 109.8 19.0 7.1 24.0 67 67 C A T 3 S- 0 0 37 -55,-2.5 -1,-0.2 -2,-0.6 -54,-0.1 0.900 130.8 -42.6 52.1 45.7 18.5 10.9 24.2 68 68 C G T 3 S+ 0 0 52 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.350 118.7 117.0 85.3 -7.2 21.5 11.2 26.5 69 69 C H E < - J 0 66B 67 -3,-2.0 -3,-4.1 2,-0.0 -1,-0.2 -0.859 58.8-140.2-101.2 116.9 20.4 8.2 28.5 70 70 C K E + J 0 65B 146 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.3 -0.415 28.3 165.9 -73.6 145.2 22.7 5.2 28.5 71 71 C A E - J 0 64B 8 -7,-2.3 -7,-2.7 -2,-0.1 2,-0.4 -0.962 21.8-149.5-153.5 158.4 21.3 1.7 28.3 72 72 C I E + J 0 63B 73 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.996 40.8 93.7-138.3 129.4 22.6 -1.8 27.6 73 73 C G E - J 0 62B 9 -11,-2.5 -11,-3.8 -2,-0.4 2,-0.3 -0.975 67.2 -29.2-178.9-163.5 20.8 -4.7 25.9 74 74 C T E - 0 0 43 -2,-0.3 -43,-0.4 -13,-0.2 2,-0.4 -0.619 48.3-170.8 -80.9 129.7 19.9 -6.7 22.9 75 75 C V E - J 0 59B 0 -16,-2.7 -16,-2.5 -2,-0.3 2,-0.5 -0.989 11.7-148.6-126.0 128.5 19.8 -4.9 19.6 76 76 C L E -gJ 32 58B 0 -45,-2.6 -43,-3.3 -2,-0.4 2,-0.5 -0.844 13.3-160.6 -96.9 131.0 18.5 -6.4 16.4 77 77 C V E +gJ 33 57B 1 -20,-2.4 -20,-2.7 -2,-0.5 -43,-0.2 -0.945 34.2 100.0-116.5 129.5 20.1 -5.2 13.1 78 78 C G E S-g 34 0B 1 -45,-1.9 2,-2.9 -2,-0.5 -43,-0.5 -0.985 78.5 -40.5 179.8-175.6 18.5 -5.5 9.7 79 79 C P + 0 0 95 0, 0.0 -45,-0.1 0, 0.0 -24,-0.0 -0.266 69.4 158.5 -67.6 56.8 16.6 -3.9 6.8 80 80 C T - 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