==== 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 1MER . 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) . 9841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.6 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 . 19 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 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 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 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 84 0, 0.0 198,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.3 -12.7 39.6 29.8 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.883 360.0-161.4-101.7 140.5 -14.6 38.0 27.0 3 3 A V E -A 197 0A 33 194,-3.2 194,-3.0 -2,-0.4 2,-0.2 -0.978 6.8-153.8-123.9 127.3 -12.7 35.4 25.1 4 4 A T E > -A 196 0A 66 -2,-0.4 3,-0.6 192,-0.2 192,-0.1 -0.660 23.7-123.4 -95.5 161.5 -13.4 34.1 21.6 5 5 A L T 3 S+ 0 0 2 190,-0.6 186,-0.2 -2,-0.2 185,-0.1 0.071 79.1 105.8-103.9 28.6 -12.3 30.5 20.7 6 6 A W T 3 S+ 0 0 186 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.721 90.1 29.8 -75.1 -18.5 -10.1 31.1 17.7 7 7 A Q S < S- 0 0 144 -3,-0.6 0, 0.0 3,-0.0 0, 0.0 -0.897 109.2 -74.4-132.0 165.8 -7.1 30.5 19.7 8 8 A R - 0 0 99 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.394 47.8-120.7 -60.4 132.5 -6.5 28.4 22.8 9 9 A P + 0 0 5 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.507 49.2 172.6 -77.3 78.7 -8.0 30.2 25.8 10 10 A L E +D 23 0B 86 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.668 8.5 179.5 -91.5 141.6 -4.8 30.5 27.7 11 11 A V E -D 22 0B 14 11,-2.9 11,-1.8 -2,-0.3 2,-0.4 -0.924 29.6-109.5-137.4 160.0 -4.4 32.5 30.9 12 12 A T E -D 21 0B 80 -2,-0.3 55,-2.6 9,-0.2 2,-0.4 -0.787 36.4-175.7 -89.6 134.4 -1.7 33.3 33.4 13 13 A I E -DE 20 66B 2 7,-2.6 7,-2.7 -2,-0.4 2,-0.5 -0.946 18.2-150.2-123.8 151.0 -1.9 31.7 36.8 14 14 A K E +DE 19 65B 102 51,-2.6 51,-2.6 -2,-0.4 2,-0.4 -0.980 25.4 163.4-117.7 125.6 0.0 32.1 40.0 15 15 A I E > -DE 18 64B 0 3,-2.2 3,-2.7 -2,-0.5 49,-0.1 -0.999 66.4 -10.0-138.1 132.7 0.2 29.1 42.2 16 16 A G T 3 S- 0 0 52 47,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.847 126.8 -54.3 51.7 39.5 2.7 28.5 45.0 17 17 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.294 116.4 108.1 82.1 -14.3 4.8 31.4 44.1 18 18 A Q E < -D 15 0B 65 -3,-2.7 -3,-2.2 0, 0.0 2,-0.5 -0.688 62.3-134.7-101.8 151.8 5.3 30.3 40.5 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.908 33.9 160.0-106.1 130.9 3.8 31.8 37.4 20 20 A K E -D 13 0B 52 -7,-2.7 -7,-2.6 -2,-0.5 2,-0.4 -0.807 34.9-121.1-133.6 176.6 2.3 29.5 34.7 21 21 A E E +D 12 0B 116 -2,-0.2 2,-0.3 -9,-0.2 62,-0.3 -0.938 31.8 178.5-118.7 151.2 -0.1 29.4 31.8 22 22 A A E -D 11 0B 1 -11,-1.8 -11,-2.9 -2,-0.4 2,-0.4 -0.970 27.9-113.4-154.2 157.7 -3.1 27.3 31.7 23 23 A L E -Df 10 84B 2 60,-2.8 62,-2.8 -2,-0.3 2,-0.6 -0.781 25.7-127.3 -99.4 133.3 -6.0 26.5 29.5 24 24 A L E - f 0 85B 3 -15,-2.9 2,-0.6 -2,-0.4 62,-0.1 -0.739 34.7-171.3 -82.4 124.2 -9.5 27.4 30.5 25 25 A D > + 0 0 19 60,-2.8 3,-1.6 -2,-0.6 62,-0.3 -0.809 26.1 179.7-130.6 100.1 -11.3 24.2 30.2 26 26 A T T 3 S+ 0 0 1 -2,-0.6 98,-0.1 1,-0.3 -1,-0.1 0.657 85.6 58.9 -69.3 -14.5 -15.0 23.9 30.4 27 27 A G T 3 S+ 0 0 16 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.498 88.5 87.0 -93.6 -2.8 -15.0 20.2 29.8 28 28 A A < - 0 0 19 -3,-1.6 59,-3.4 57,-0.2 60,-0.2 -0.828 56.6-163.8 -97.8 129.9 -12.7 19.4 32.7 29 29 A D S S+ 0 0 53 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.871 77.3 37.2 -73.5 -30.0 -14.3 18.7 36.0 30 30 A D S S- 0 0 51 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.771 80.7-116.0-120.4 159.9 -11.0 19.2 37.8 31 31 A T - 0 0 1 43,-0.5 45,-2.2 -2,-0.3 2,-0.4 -0.817 33.3-177.7 -94.3 132.8 -7.9 21.3 37.6 32 32 A V E -gH 76 84B 4 52,-1.9 52,-3.0 -2,-0.4 2,-0.3 -0.997 4.9-172.5-140.3 135.1 -4.7 19.5 36.8 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.9 -2,-0.4 47,-0.2 -0.861 30.1-104.6-122.5 152.6 -1.3 20.9 36.5 34 34 A E - 0 0 79 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.260 66.4 -59.1 -71.5 169.9 1.9 19.3 35.4 35 35 A E S S+ 0 0 99 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.244 71.9 147.6 -58.0 132.2 4.4 18.4 38.0 36 36 A M - 0 0 14 -3,-0.1 2,-0.6 2,-0.0 -3,-0.1 -0.938 54.0 -89.1-156.7 160.8 5.5 21.3 40.1 37 37 A S + 0 0 91 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.711 45.5 175.6 -84.7 123.7 6.6 21.5 43.7 38 38 A L - 0 0 17 -2,-0.6 2,-0.3 2,-0.1 -2,-0.0 -0.933 25.6-128.1-116.6 147.8 3.7 22.2 46.0 39 39 A P + 0 0 100 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.628 64.6 35.2 -83.3 155.7 4.2 22.2 49.7 40 40 A G S S- 0 0 61 -2,-0.3 2,-0.3 19,-0.0 -2,-0.1 -0.649 91.7 -38.5 115.2-167.3 2.0 20.2 51.9 41 41 A R - 0 0 167 -2,-0.2 19,-0.3 19,-0.1 2,-0.3 -0.671 50.3-179.6 -99.2 159.4 0.3 16.9 52.0 42 42 A W - 0 0 116 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.975 17.9-138.8-150.9 156.2 -1.4 15.3 49.1 43 43 A K E -I 58 0B 121 15,-2.1 15,-3.6 -2,-0.3 2,-0.0 -0.960 28.5-108.2-120.9 144.7 -3.3 12.2 48.5 44 44 A P E +I 57 0B 104 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.373 43.5 165.0 -64.0 147.5 -3.1 10.0 45.4 45 45 A K E -I 56 0B 76 11,-2.9 11,-3.7 -2,-0.0 2,-0.4 -0.907 24.9-140.5-147.8 167.6 -6.0 10.0 43.0 46 46 A M E -I 55 0B 120 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.994 15.7-166.6-133.1 143.8 -6.4 8.8 39.4 47 47 A I E -I 54 0B 16 7,-2.4 7,-2.5 -2,-0.4 2,-0.3 -0.941 12.6-133.4-128.4 156.6 -8.3 10.6 36.7 48 48 A G E +I 53 0B 46 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.778 29.4 157.2-102.8 152.8 -9.5 9.6 33.3 49 49 A G E > -I 52 0B 24 3,-2.5 3,-1.0 -2,-0.3 2,-0.4 -0.798 58.3 -59.6-144.3-167.9 -9.2 11.4 30.1 50 50 A I T 3 S+ 0 0 29 -2,-0.2 100,-0.7 1,-0.2 102,-0.5 -0.750 128.3 36.6 -74.9 135.0 -9.2 10.7 26.5 51 51 A G T 3 S- 0 0 28 -2,-0.4 2,-0.3 128,-0.3 102,-0.3 -0.008 124.0 -77.0 114.5 -30.3 -6.3 8.3 26.2 52 52 A G E < -I 49 0B 28 -3,-1.0 -3,-2.5 98,-0.5 2,-0.3 -0.980 68.6 -37.9 132.1-151.5 -6.7 6.5 29.5 53 53 A F E -I 48 0B 157 -2,-0.3 2,-0.4 98,-0.3 -5,-0.2 -0.865 38.0-158.9-119.4 150.0 -6.0 7.3 33.1 54 54 A I E -I 47 0B 15 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.4 -0.948 21.4-124.8-122.4 150.8 -3.3 9.0 35.0 55 55 A K E +I 46 0B 166 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.740 39.8 176.2 -88.1 139.2 -2.2 8.8 38.6 56 56 A V E -I 45 0B 7 -11,-3.7 -11,-2.9 -2,-0.4 2,-0.5 -0.908 28.9-125.6-139.4 159.5 -2.3 12.1 40.1 57 57 A R E -IJ 44 77B 70 20,-2.3 20,-2.6 -2,-0.3 2,-0.5 -0.960 25.0-140.1-117.6 139.0 -1.7 13.6 43.5 58 58 A Q E -IJ 43 76B 26 -15,-3.6 -15,-2.1 -2,-0.5 2,-0.4 -0.817 16.0-174.4 -99.4 128.8 -4.4 15.7 45.0 59 59 A Y E - J 0 75B 6 16,-2.9 16,-2.2 -2,-0.5 3,-0.3 -0.948 12.8-156.2-115.8 138.4 -3.8 18.9 47.0 60 60 A D E + 0 0 48 -2,-0.4 14,-0.2 -19,-0.3 -19,-0.1 -0.752 67.0 24.3-113.4 165.4 -6.7 20.6 48.6 61 61 A Q E S+ 0 0 142 -2,-0.3 2,-0.4 1,-0.2 13,-0.2 0.772 76.5 162.3 56.3 32.3 -7.1 24.2 49.7 62 62 A I E - J 0 73B 26 11,-3.0 11,-2.3 -3,-0.3 2,-0.3 -0.706 34.6-134.3 -87.2 130.3 -4.5 25.5 47.2 63 63 A L E + J 0 72B 92 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.661 28.0 179.7 -78.6 134.6 -4.7 29.2 46.5 64 64 A I E -EJ 15 71B 0 7,-3.0 7,-2.0 -2,-0.3 2,-0.5 -0.996 21.3-150.7-134.1 139.7 -4.5 30.1 42.8 65 65 A E E -EJ 14 70B 57 -51,-2.6 -51,-2.6 -2,-0.4 2,-0.5 -0.957 14.6-173.8-104.7 135.1 -4.6 33.5 41.1 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-1.9 -2,-0.5 -53,-0.2 -0.989 72.9 -31.6-131.6 114.9 -6.0 33.2 37.7 67 67 A C T 3 S- 0 0 62 -55,-2.6 -53,-0.1 -2,-0.5 -56,-0.0 -0.511 127.1 -40.5 54.3-137.0 -5.8 36.5 35.9 68 68 A G T 3 S+ 0 0 53 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.586 117.1 110.6 -84.7 -4.0 -6.1 38.7 39.0 69 69 A H E < - J 0 66B 64 -3,-1.9 -3,-2.8 -4,-0.1 2,-0.3 -0.472 56.8-148.9 -83.9 136.6 -8.8 36.6 40.5 70 70 A K E + J 0 65B 143 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.774 24.4 159.0-100.1 151.1 -8.0 34.6 43.5 71 71 A A E - J 0 64B 5 -7,-2.0 -7,-3.0 -2,-0.3 2,-0.4 -0.945 25.4-144.0-153.1 167.3 -9.6 31.3 44.3 72 72 A I E + J 0 63B 65 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.996 40.7 108.2-135.5 137.5 -8.8 28.3 46.5 73 73 A G E - J 0 62B 10 -11,-2.3 -11,-3.0 -2,-0.4 2,-0.4 -0.914 62.3 -39.5-172.3-153.5 -9.5 24.7 45.8 74 74 A T E - 0 0 42 -2,-0.3 -43,-0.5 -14,-0.2 2,-0.4 -0.801 45.1-174.5 -95.9 134.5 -8.3 21.3 44.8 75 75 A V E - J 0 59B 0 -16,-2.2 -16,-2.9 -2,-0.4 2,-0.5 -0.983 14.2-148.7-128.1 142.6 -5.6 21.0 42.3 76 76 A L E -gJ 32 58B 2 -45,-2.2 -43,-2.9 -2,-0.4 2,-0.5 -0.935 10.8-158.8-108.3 128.8 -4.3 17.7 40.9 77 77 A V E +gJ 33 57B 1 -20,-2.6 -20,-2.3 -2,-0.5 -43,-0.2 -0.935 36.8 116.3-112.0 133.5 -0.6 17.7 40.0 78 78 A G S S- 0 0 1 -45,-2.9 2,-1.9 -2,-0.5 -43,-0.4 -0.967 71.2 -52.3-174.3-179.8 0.4 15.1 37.5 79 79 A P S S+ 0 0 72 0, 0.0 72,-0.4 0, 0.0 -45,-0.1 -0.373 70.6 142.8 -81.1 65.0 1.7 14.0 34.1 80 80 A T - 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