==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 11-APR-97 1MEU . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.ALA,C.-H.CHANG . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 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 . 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 . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.5 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 1 0 0 1 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 0 5 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 94 0, 0.0 198,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 177.6 -12.7 39.7 29.5 2 2 A Q E -A 198 0A 122 196,-0.2 2,-0.4 197,-0.1 196,-0.2 -0.672 360.0-155.1 -83.5 159.3 -14.5 37.8 26.8 3 3 A V E -A 197 0A 29 194,-2.9 194,-2.6 -2,-0.3 2,-0.2 -0.967 0.3-154.4-130.4 112.6 -12.5 35.2 25.2 4 4 A T E > -A 196 0A 60 -2,-0.4 3,-0.6 192,-0.2 192,-0.1 -0.507 21.4-127.3 -80.8 165.8 -13.4 34.1 21.6 5 5 A L T 3 S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.145 79.5 106.0-108.4 24.4 -12.3 30.6 20.8 6 6 A W T 3 S+ 0 0 176 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.799 90.5 32.8 -72.1 -22.3 -10.3 31.2 17.6 7 7 A Q S < S- 0 0 137 -3,-0.6 0, 0.0 3,-0.0 0, 0.0 -0.868 108.8 -79.6-124.5 162.8 -7.3 30.6 19.7 8 8 A R - 0 0 104 -2,-0.3 2,-1.5 1,-0.1 119,-0.1 -0.429 48.9-121.5 -55.7 129.4 -6.5 28.4 22.6 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.608 45.2 173.4 -82.2 92.4 -7.9 30.2 25.6 10 10 A L E -D 23 0B 70 -2,-1.5 2,-0.3 13,-0.2 13,-0.2 -0.749 10.3-174.4-103.7 149.9 -4.8 30.5 27.8 11 11 A V E -D 22 0B 12 11,-3.0 11,-2.1 -2,-0.3 2,-0.5 -0.966 27.1-113.7-138.3 150.4 -4.4 32.3 31.0 12 12 A T E -D 21 0B 75 -2,-0.3 55,-2.5 9,-0.2 2,-0.4 -0.746 34.9-174.4 -81.7 125.2 -1.6 33.2 33.4 13 13 A I E -DE 20 66B 0 7,-3.1 7,-2.7 -2,-0.5 2,-0.5 -0.902 16.3-154.2-113.7 150.0 -1.9 31.6 36.8 14 14 A K E +DE 19 65B 95 51,-2.5 51,-2.7 -2,-0.4 2,-0.3 -0.995 28.7 156.4-118.3 130.8 0.3 32.1 39.9 15 15 A I E > +DE 18 64B 2 3,-2.5 3,-3.2 -2,-0.5 49,-0.1 -0.987 62.8 4.2-147.9 140.2 0.3 29.2 42.2 16 16 A G T 3 S- 0 0 45 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.795 129.4 -58.8 60.2 25.5 2.9 28.1 44.8 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.340 116.9 107.0 81.7 -3.9 4.9 31.2 44.2 18 18 A Q E < -D 15 0B 70 -3,-3.2 -3,-2.5 0, 0.0 2,-0.4 -0.789 64.1-131.7-115.3 150.5 5.4 30.3 40.5 19 19 A L E +D 14 0B 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.826 34.8 158.0-100.2 134.7 3.9 31.7 37.3 20 20 A K E -D 13 0B 31 -7,-2.7 -7,-3.1 -2,-0.4 2,-0.3 -0.916 36.6-116.4-144.2 168.5 2.5 29.4 34.7 21 21 A E E -D 12 0B 107 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.807 32.9-175.4-109.3 153.6 0.0 29.4 31.7 22 22 A A E -D 11 0B 0 -11,-2.1 -11,-3.0 -2,-0.3 2,-0.5 -0.990 24.1-117.5-153.8 148.1 -3.1 27.3 31.8 23 23 A L E -Df 10 84B 7 60,-2.4 62,-3.1 -2,-0.3 2,-0.5 -0.783 24.1-127.9 -97.1 129.4 -5.9 26.4 29.5 24 24 A L E - f 0 85B 5 -15,-2.7 2,-0.4 -2,-0.5 62,-0.1 -0.679 36.8-175.5 -76.3 123.9 -9.5 27.4 30.4 25 25 A D > + 0 0 19 60,-2.3 3,-1.9 -2,-0.5 62,-0.3 -0.728 28.0 177.1-140.0 89.2 -11.3 24.1 30.1 26 26 A T T 3 S+ 0 0 0 -2,-0.4 61,-0.2 1,-0.3 99,-0.1 0.803 83.9 63.8 -60.0 -26.1 -15.0 23.7 30.4 27 27 A G T 3 S+ 0 0 19 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.446 90.9 81.3 -77.7 4.4 -14.8 20.0 29.6 28 28 A A < - 0 0 15 -3,-1.9 59,-3.0 57,-0.2 60,-0.1 -0.892 59.4-163.2-114.9 137.0 -12.7 19.3 32.7 29 29 A D S S+ 0 0 59 -2,-0.5 59,-2.1 57,-0.2 2,-0.2 0.885 76.9 29.6 -83.7 -32.0 -14.3 18.9 36.1 30 30 A D S S- 0 0 49 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.710 86.7-104.2-124.3 166.7 -11.0 19.4 38.2 31 31 A T E -g 75 0B 0 43,-0.6 45,-1.9 -2,-0.2 2,-0.4 -0.769 33.2-168.4 -98.7 138.1 -7.8 21.4 37.6 32 32 A V E -gH 76 84B 5 52,-2.0 52,-2.8 -2,-0.4 2,-0.4 -0.990 2.3-168.6-136.2 120.6 -4.8 19.4 36.6 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.5 -2,-0.4 47,-0.2 -0.886 28.4-106.9-115.6 142.3 -1.3 20.8 36.6 34 34 A E - 0 0 77 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.119 69.0 -60.0 -53.4 158.9 1.8 19.5 35.2 35 35 A E S S+ 0 0 111 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.205 76.2 160.2 -54.8 131.0 4.3 18.3 37.9 36 36 A M - 0 0 12 -3,-0.2 2,-0.6 2,-0.0 -3,-0.0 -0.982 45.9 -94.6-153.8 152.9 5.1 21.1 40.1 37 37 A S + 0 0 89 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.684 47.7 164.0 -74.4 119.8 6.5 21.9 43.5 38 38 A L - 0 0 19 -2,-0.6 2,-0.5 2,-0.1 -2,-0.0 -0.978 34.7-123.8-128.7 143.5 3.7 22.4 46.0 39 39 A P + 0 0 110 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 -0.720 61.7 15.9 -80.6 133.0 4.3 22.3 49.7 40 40 A G S S- 0 0 55 -2,-0.5 2,-0.2 2,-0.0 -2,-0.1 -0.733 85.6 -15.8 137.7-164.5 2.3 19.8 51.7 41 41 A R + 0 0 146 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.515 51.8 168.9 -79.1 153.8 0.1 16.9 52.2 42 42 A W - 0 0 114 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.977 26.6-135.2-163.2 157.9 -1.7 15.3 49.2 43 43 A K E -I 58 0B 116 15,-2.4 15,-3.2 -2,-0.3 13,-0.0 -0.981 25.5-123.9-123.8 133.7 -3.6 12.2 48.5 44 44 A P E +I 57 0B 86 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.337 38.5 153.3 -75.9 160.9 -3.1 10.1 45.3 45 45 A K E -I 56 0B 67 11,-2.3 11,-3.5 2,-0.0 2,-0.4 -0.972 35.8-110.8-166.1 173.0 -5.9 9.3 42.8 46 46 A M E -I 55 0B 111 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.901 20.7-173.1-109.6 146.3 -6.6 8.5 39.2 47 47 A I E -I 54 0B 30 7,-2.5 7,-3.1 -2,-0.4 2,-0.3 -0.988 16.0-142.6-124.8 146.3 -8.4 10.5 36.6 48 48 A G E +I 53 0B 41 -2,-0.4 5,-0.2 5,-0.3 2,-0.2 -0.792 24.5 166.6 -99.2 153.7 -9.3 9.3 33.2 49 49 A G E > -I 52 0B 23 3,-3.1 2,-1.4 -2,-0.3 3,-1.2 -0.685 56.4 -52.6-131.0-160.5 -9.2 11.3 30.1 50 50 A I T 3 S+ 0 0 33 1,-0.2 102,-0.6 -2,-0.2 130,-0.1 -0.687 131.1 30.9 -72.7 100.9 -9.3 10.7 26.4 51 51 A G T 3 S- 0 0 27 -2,-1.4 2,-0.3 128,-0.3 102,-0.3 0.329 123.5 -62.5 136.7 -8.6 -6.6 8.2 26.3 52 52 A G E < S-I 49 0B 31 -3,-1.2 -3,-3.1 98,-0.3 2,-0.4 -0.923 71.0 -50.0 128.6-163.7 -6.6 6.3 29.6 53 53 A F E -I 48 0B 154 -2,-0.3 2,-0.4 98,-0.3 -5,-0.3 -0.883 36.2-153.4-119.6 146.1 -6.0 7.2 33.1 54 54 A I E -I 47 0B 14 -7,-3.1 -7,-2.5 -2,-0.4 2,-0.5 -0.907 16.7-131.6-111.9 154.6 -3.4 9.1 35.0 55 55 A K E +I 46 0B 153 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.824 38.7 172.0 -92.5 128.1 -2.3 8.8 38.6 56 56 A V E -I 45 0B 5 -11,-3.5 -11,-2.3 -2,-0.5 2,-0.5 -0.881 32.6-119.2-138.6 157.9 -2.2 12.3 40.0 57 57 A R E -IJ 44 77B 64 20,-3.0 20,-3.0 -2,-0.3 2,-0.5 -0.920 25.8-145.3-103.6 132.5 -1.7 13.8 43.5 58 58 A Q E -IJ 43 76B 36 -15,-3.2 -15,-2.4 -2,-0.5 2,-0.5 -0.857 15.0-174.7-100.6 133.8 -4.5 15.8 44.9 59 59 A Y E - J 0 75B 9 16,-2.9 16,-2.7 -2,-0.5 3,-0.4 -0.979 13.8-151.7-117.9 125.7 -3.8 18.8 47.1 60 60 A D E + 0 0 45 -2,-0.5 14,-0.2 14,-0.2 -19,-0.1 -0.602 69.6 24.8 -91.6 161.0 -6.8 20.6 48.6 61 61 A Q E S+ 0 0 133 -2,-0.2 2,-0.5 1,-0.2 13,-0.2 0.742 74.0 161.2 65.2 31.5 -7.0 24.2 49.5 62 62 A I E - J 0 73B 26 11,-3.3 11,-1.3 -3,-0.4 2,-0.6 -0.713 36.0-132.1 -91.4 127.2 -4.4 25.6 47.1 63 63 A L E + J 0 72B 78 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.658 28.4 179.6 -79.1 121.9 -4.6 29.3 46.4 64 64 A I E -EJ 15 71B 0 7,-2.5 7,-2.3 -2,-0.6 2,-0.6 -0.963 20.4-152.1-117.8 139.0 -4.4 30.1 42.7 65 65 A E E -EJ 14 70B 63 -51,-2.7 -51,-2.5 -2,-0.4 2,-0.5 -0.958 18.7-166.3-105.2 122.4 -4.5 33.5 41.3 66 66 A I E > -EJ 13 69B 4 3,-2.5 3,-2.9 -2,-0.6 2,-2.0 -0.940 67.4 -31.4-117.4 130.7 -5.9 33.2 37.8 67 67 A C T 3 S- 0 0 79 -55,-2.5 -2,-0.1 -2,-0.5 3,-0.0 -0.418 128.9 -44.3 51.6 -77.8 -5.6 36.2 35.4 68 68 A G T 3 S+ 0 0 58 -2,-2.0 2,-0.3 2,-0.0 -1,-0.3 0.185 117.5 101.1-155.9 15.8 -5.8 38.4 38.6 69 69 A H E < - 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