==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-JUL-00 1FF0 . 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) . 9692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.3 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 . 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 . 26 13.1 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 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 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 C P 0 0 94 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 175.9 11.8 15.0 29.5 2 2 C Q E -A 198 0A 121 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.968 360.0-162.8-117.5 129.9 8.2 14.8 28.1 3 3 C I E -A 197 0A 34 194,-3.2 194,-2.8 -2,-0.5 2,-0.1 -0.951 8.2-151.5-115.7 117.9 7.6 14.0 24.5 4 4 C T - 0 0 66 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.352 15.4-129.9 -78.5 168.8 4.2 14.8 22.9 5 5 C L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.127 73.3 110.5-112.8 25.1 2.8 12.7 20.1 6 6 C W S S+ 0 0 190 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.828 94.4 16.5 -64.4 -32.8 1.8 15.3 17.5 7 7 C K S S- 0 0 168 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.852 113.1 -62.2-133.1 168.7 4.6 14.0 15.4 8 8 C R - 0 0 134 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.304 52.7-119.5 -54.7 125.6 6.7 10.9 15.4 9 9 C P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.516 48.9 169.0 -72.0 83.5 8.7 10.6 18.8 10 10 C L E +D 23 0B 87 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.830 7.5 174.6-100.8 137.5 12.2 10.6 17.3 11 11 C V E -D 22 0B 16 11,-2.5 11,-3.1 -2,-0.4 2,-0.3 -0.907 35.0-101.1-136.4 162.2 15.3 11.0 19.4 12 12 C T E -D 21 0B 66 -2,-0.3 55,-2.5 9,-0.2 56,-0.3 -0.685 40.7-174.6 -84.9 136.8 19.0 10.9 18.8 13 13 C I E -DE 20 66B 1 7,-3.2 7,-2.3 -2,-0.3 2,-0.5 -0.886 18.4-142.3-127.7 160.7 20.7 7.7 19.8 14 14 C K E +DE 19 65B 96 51,-2.0 51,-2.2 -2,-0.3 2,-0.3 -0.990 31.1 155.0-127.7 120.8 24.4 6.6 20.0 15 15 C I E > +DE 18 64B 1 3,-2.3 3,-1.8 -2,-0.5 49,-0.1 -0.990 65.9 0.9-147.2 135.5 25.2 3.0 19.0 16 16 C G T 3 S- 0 0 52 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.786 129.9 -57.9 58.7 27.8 28.4 1.4 17.7 17 17 C G T 3 S+ 0 0 64 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.592 116.2 109.3 78.5 12.9 30.1 4.8 17.9 18 18 C Q E < -D 15 0B 103 -3,-1.8 -3,-2.3 2,-0.0 2,-0.4 -0.928 63.2-133.0-124.3 147.2 27.5 6.4 15.6 19 19 C L E +D 14 0B 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.822 35.4 163.1 -97.6 133.2 24.8 8.9 16.1 20 20 C K E -D 13 0B 18 -7,-2.3 -7,-3.2 -2,-0.4 2,-0.5 -0.920 38.1-112.5-142.8 166.0 21.4 8.1 14.6 21 21 C E E -D 12 0B 101 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.895 38.6-175.7-103.5 131.9 17.7 9.1 14.8 22 22 C A E -D 11 0B 0 -11,-3.1 -11,-2.5 -2,-0.5 2,-0.5 -0.953 25.3-119.2-133.4 154.0 15.3 6.5 16.3 23 23 C L E -Df 10 84B 15 60,-3.5 62,-3.2 -2,-0.3 2,-0.9 -0.750 21.8-133.9 -91.6 125.2 11.6 6.1 16.9 24 24 C L E - f 0 85B 1 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.716 32.2-173.7 -78.9 110.5 10.4 5.6 20.5 25 25 C D > + 0 0 3 60,-2.5 3,-1.4 -2,-0.9 62,-0.3 -0.877 25.6 178.3-117.7 102.0 8.0 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 0.636 86.8 62.0 -71.4 -16.0 5.9 1.5 22.9 27 27 C G T 3 S+ 0 0 0 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.276 88.3 87.5 -92.3 9.8 4.3 -1.0 20.5 28 28 C A < - 0 0 0 -3,-1.4 59,-3.0 57,-0.2 60,-0.2 -0.948 59.1-161.9-113.7 125.0 7.7 -2.8 19.9 29 29 C D S S+ 0 0 27 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.887 78.1 24.0 -67.8 -42.0 8.9 -5.6 22.1 30 30 C D S S- 0 0 50 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.651 85.8 -98.7-120.1 176.6 12.5 -5.3 21.0 31 31 C T - 0 0 0 43,-0.5 45,-2.8 -2,-0.2 2,-0.5 -0.858 30.8-170.1-102.6 127.3 14.9 -2.7 19.5 32 32 C V E -gH 76 84B 0 52,-1.8 52,-3.5 -2,-0.5 2,-0.3 -0.960 4.3-170.5-122.9 118.0 15.6 -2.8 15.7 33 33 C I E -g 77 0B 0 43,-3.4 45,-1.9 -2,-0.5 47,-0.2 -0.806 30.7 -97.3-110.6 145.9 18.3 -0.7 14.2 34 34 C E E -g 78 0B 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.121 63.3 -68.8 -53.8 152.2 19.1 0.0 10.5 35 35 C E S S+ 0 0 98 43,-0.6 2,-0.3 45,-0.2 -1,-0.2 -0.189 70.7 155.3 -48.2 124.6 21.8 -2.1 8.8 36 36 C M - 0 0 12 -3,-0.2 2,-2.2 2,-0.1 -3,-0.1 -0.976 52.7-107.8-154.8 145.8 25.2 -1.2 10.3 37 37 C S + 0 0 122 -2,-0.3 -2,-0.1 -21,-0.1 40,-0.0 -0.421 46.2 176.1 -78.5 68.0 28.5 -3.1 10.6 38 38 C L - 0 0 15 -2,-2.2 -2,-0.1 1,-0.1 2,-0.0 -0.551 27.5-124.4 -73.9 129.3 28.4 -3.7 14.4 39 39 C P + 0 0 109 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.339 61.4 40.0 -75.2 159.2 31.4 -5.8 15.5 40 40 C G S S- 0 0 59 -2,-0.0 2,-0.1 2,-0.0 -2,-0.0 -0.416 89.7 -28.2 106.5-179.4 31.0 -9.1 17.4 41 41 C R + 0 0 203 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.433 57.3 175.1 -75.2 148.4 29.1 -12.3 17.7 42 42 C W - 0 0 104 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.966 24.6-132.7-151.1 165.7 25.4 -12.3 16.6 43 43 C K E -I 58 0B 127 15,-1.8 15,-3.1 -2,-0.3 2,-0.4 -0.979 24.9-122.0-126.6 131.5 22.5 -14.7 16.2 44 44 C P E +I 57 0B 95 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.594 45.5 154.8 -75.2 123.3 20.2 -14.9 13.1 45 45 C I E -I 56 0B 42 11,-2.2 11,-2.3 -2,-0.4 2,-0.4 -0.839 36.7-124.0-137.6 175.6 16.5 -14.3 14.0 46 46 C M E -I 55 0B 110 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.988 24.7-179.4-127.1 136.9 13.4 -13.1 12.4 47 47 C I E +I 54 0B 16 7,-2.3 7,-3.0 -2,-0.4 2,-0.3 -0.956 10.3 164.1-133.5 151.8 11.2 -10.2 13.7 48 48 C G E +I 53 0B 0 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.858 21.0 156.4-153.8-170.0 8.0 -8.8 12.3 49 49 C G E > +I 52 0B 4 3,-2.1 3,-2.0 152,-0.3 2,-0.1 -0.841 69.2 14.5 176.0-137.4 4.8 -6.7 12.5 50 50 C I T 3 S+ 0 0 9 1,-0.3 101,-1.8 -2,-0.3 102,-1.0 -0.407 130.5 19.0 -65.2 128.4 2.7 -5.1 9.9 51 51 C G T 3 S- 0 0 32 100,-0.3 2,-0.3 99,-0.1 102,-0.3 0.232 122.1 -85.6 97.0 -14.7 3.6 -6.4 6.4 52 52 C G E < -I 49 0B 28 -3,-2.0 -3,-2.1 100,-0.2 99,-0.3 -0.851 63.8 -32.6 121.8-154.2 5.3 -9.5 7.7 53 53 C F E -I 48 0B 127 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.730 39.7-161.0-112.2 159.0 8.7 -10.5 9.0 54 54 C I E -I 47 0B 23 -7,-3.0 -7,-2.3 -2,-0.3 2,-0.4 -0.956 26.2-110.1-135.6 154.5 12.3 -9.5 8.2 55 55 C K E +I 46 0B 159 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.715 44.4 168.6 -86.5 131.8 15.7 -11.2 8.8 56 56 C V E -I 45 0B 6 -11,-2.3 -11,-2.2 -2,-0.4 2,-0.5 -0.886 35.0-116.6-138.0 167.6 17.9 -9.5 11.5 57 57 C R E -IJ 44 77B 44 20,-2.6 20,-2.2 -2,-0.3 2,-0.7 -0.950 26.0-143.4-111.1 122.1 21.0 -10.1 13.5 58 58 C Q E -IJ 43 76B 41 -15,-3.1 -15,-1.8 -2,-0.5 2,-0.4 -0.791 17.6-173.5 -91.4 116.2 20.6 -10.3 17.2 59 59 C Y E - J 0 75B 7 16,-2.7 16,-2.5 -2,-0.7 3,-0.4 -0.923 11.9-145.8-109.2 132.5 23.4 -8.7 19.2 60 60 C D E S+ 0 0 103 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.1 -0.654 72.2 13.6-100.3 153.8 23.5 -9.1 23.0 61 61 C Q E S+ 0 0 135 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.849 78.2 171.0 54.9 42.7 24.8 -6.6 25.6 62 62 C I E - J 0 73B 26 11,-3.1 11,-2.1 -3,-0.4 2,-0.4 -0.718 31.2-131.0 -87.5 128.4 25.0 -3.7 23.1 63 63 C I E + J 0 72B 125 -2,-0.4 -47,-0.6 9,-0.2 2,-0.3 -0.656 35.1 170.9 -78.3 129.7 25.6 -0.3 24.7 64 64 C I E -EJ 15 71B 1 7,-2.4 7,-1.8 -2,-0.4 2,-0.5 -0.995 25.5-151.2-146.6 133.1 23.2 2.3 23.5 65 65 C E E -EJ 14 70B 62 -51,-2.2 -51,-2.0 -2,-0.3 2,-0.5 -0.934 14.0-165.3-106.1 124.8 22.5 5.9 24.5 66 66 C I E > S-EJ 13 69B 0 3,-3.4 3,-2.7 -2,-0.5 -53,-0.2 -0.957 71.3 -27.5-116.1 115.9 18.9 7.1 24.0 67 67 C A T 3 S- 0 0 39 -55,-2.5 -1,-0.2 -2,-0.5 -54,-0.1 0.843 129.9 -45.3 50.1 37.0 18.2 10.8 24.2 68 68 C G T 3 S+ 0 0 51 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.384 116.3 117.8 91.2 -5.4 21.2 11.1 26.6 69 69 C H E < - 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