==== 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 22-JAN-98 2BPZ . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.MUNSHI,Z.CHEN . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 70.2 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 . 72 36.4 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 . 33 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 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 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 2 3 0 0 3 0 3 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 87 0, 0.0 198,-1.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 166.8 30.0 39.5 5.0 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.941 360.0-163.4-111.5 109.8 30.0 37.0 2.1 3 3 A I E -A 197 0A 33 194,-3.2 194,-2.6 -2,-0.6 2,-0.2 -0.782 5.3-148.0 -97.4 132.1 28.9 33.6 3.2 4 4 A T E -A 196 0A 60 -2,-0.4 3,-0.4 192,-0.2 192,-0.1 -0.601 13.2-132.7 -95.4 161.6 29.5 30.5 1.0 5 5 A L S S+ 0 0 3 190,-0.6 186,-0.2 -2,-0.2 185,-0.1 0.014 77.4 102.3-104.2 27.1 27.4 27.4 0.7 6 6 A W S S+ 0 0 175 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.853 96.7 21.4 -72.8 -36.2 30.1 24.7 1.0 7 7 A Q S S- 0 0 133 -3,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.752 110.7 -72.0-122.0 170.8 28.9 24.3 4.6 8 8 A R - 0 0 120 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.444 50.1-118.8 -64.5 134.6 25.7 25.2 6.4 9 9 A P + 0 0 3 0, 0.0 15,-2.0 0, 0.0 2,-0.4 -0.500 47.5 168.5 -78.6 76.2 25.5 29.0 6.8 10 10 A L E +D 23 0B 60 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.753 6.6 177.1 -92.3 136.0 25.4 29.1 10.6 11 11 A V E -D 22 0B 10 11,-2.7 11,-2.8 -2,-0.4 2,-0.5 -0.832 34.0-102.3-130.4 166.9 25.8 32.5 12.3 12 12 A T E -D 21 0B 79 -2,-0.3 55,-1.8 9,-0.2 2,-0.3 -0.834 38.6-176.1 -96.5 126.8 25.8 33.6 15.9 13 13 A I E -DE 20 66B 1 7,-3.2 7,-3.1 -2,-0.5 2,-0.5 -0.902 15.3-145.3-119.3 150.4 22.6 35.3 16.9 14 14 A K E +DE 19 65B 66 51,-2.3 51,-2.6 -2,-0.3 2,-0.3 -0.982 26.7 160.6-119.3 128.6 21.9 36.9 20.2 15 15 A I E > -D 18 0B 0 3,-2.6 3,-2.2 -2,-0.5 49,-0.1 -0.981 65.0 -6.0-149.1 131.4 18.4 36.7 21.7 16 16 A G T 3 S- 0 0 57 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.809 126.1 -56.6 55.7 35.6 17.1 37.2 25.2 17 17 A G T 3 S+ 0 0 65 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.518 116.5 112.0 76.4 3.0 20.6 37.4 26.7 18 18 A Q E < -D 15 0B 86 -3,-2.2 -3,-2.6 2,-0.0 2,-0.6 -0.883 62.3-140.6-111.6 139.7 21.5 34.0 25.2 19 19 A L E +D 14 0B 136 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.910 32.0 172.9 -98.4 122.2 24.0 33.5 22.4 20 20 A K E -D 13 0B 38 -7,-3.1 -7,-3.2 -2,-0.6 2,-0.4 -0.868 30.7-124.3-128.1 161.4 22.7 30.9 19.9 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.899 35.6 178.0-106.5 136.7 23.9 29.5 16.6 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.4 -0.972 28.2-114.1-142.1 158.2 21.4 29.6 13.7 23 23 A L E -Df 10 84B 7 60,-2.7 62,-3.4 -2,-0.3 2,-1.1 -0.711 22.3-132.1 -92.1 136.5 21.0 28.8 10.1 24 24 A L E - f 0 85B 0 -15,-2.0 2,-0.7 -2,-0.4 62,-0.1 -0.761 34.0-172.6 -88.1 101.0 20.4 31.6 7.5 25 25 A D > + 0 0 21 60,-2.4 3,-1.0 -2,-1.1 62,-0.3 -0.821 24.8 178.3-107.1 105.3 17.5 30.0 5.7 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.2 98,-0.1 0.707 86.6 57.5 -72.8 -20.3 16.2 31.7 2.5 27 27 A G T 3 S+ 0 0 18 96,-0.1 2,-0.6 81,-0.1 -1,-0.2 0.536 89.8 88.5 -86.6 -6.5 13.6 28.9 2.0 28 28 A A < - 0 0 16 -3,-1.0 59,-2.8 57,-0.2 60,-0.2 -0.836 56.8-167.6 -97.7 121.4 12.1 29.6 5.4 29 29 A D S S+ 0 0 50 -2,-0.6 59,-1.2 57,-0.2 2,-0.2 0.910 75.4 37.7 -70.5 -42.5 9.3 32.2 5.5 30 30 A D S S- 0 0 46 57,-0.1 2,-0.6 56,-0.1 57,-0.2 -0.577 85.0-112.2-108.2 170.4 9.4 32.5 9.3 31 31 A T - 0 0 0 43,-0.4 45,-2.7 -2,-0.2 2,-0.5 -0.910 34.1-171.8-105.0 118.8 12.0 32.4 11.9 32 32 A V E -gH 76 84B 7 52,-1.1 52,-3.1 -2,-0.6 2,-0.3 -0.970 3.2-176.2-117.5 128.7 11.8 29.2 14.1 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.4 -2,-0.5 47,-0.2 -0.844 30.8 -95.7-122.8 158.0 13.9 28.7 17.2 34 34 A E E -g 78 0B 77 -2,-0.3 -1,-0.0 43,-0.2 49,-0.0 -0.338 66.8 -61.3 -70.0 151.7 14.3 25.9 19.7 35 35 A E S S+ 0 0 107 43,-0.8 2,-0.3 45,-0.1 -1,-0.2 0.023 77.1 134.7 -37.3 123.6 12.3 25.9 23.0 36 36 A M - 0 0 18 -3,-0.1 2,-0.5 2,-0.0 -3,-0.1 -0.954 55.1 -97.1-165.2 163.5 13.0 28.9 25.2 37 37 A S - 0 0 101 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.829 36.9-178.0 -97.3 126.0 11.1 31.4 27.2 38 38 A L - 0 0 13 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.940 28.5-112.6-121.4 142.7 10.4 34.8 25.6 39 39 A P S S+ 0 0 105 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.365 77.4 44.9 -70.9 157.1 8.6 37.6 27.3 40 40 A G S S- 0 0 64 19,-0.1 2,-0.2 -2,-0.1 -2,-0.1 -0.373 94.7 -59.1 99.7 173.9 5.2 38.7 26.1 41 41 A R - 0 0 184 -2,-0.1 19,-0.5 19,-0.1 2,-0.2 -0.649 50.3-144.7 -94.3 156.1 2.1 36.7 25.1 42 42 A W E -I 59 0B 89 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.729 7.0-143.6-120.0 168.2 2.0 34.1 22.5 43 43 A K E -I 58 0B 127 15,-1.1 15,-3.2 -2,-0.2 2,-0.2 -0.989 29.2-115.9-130.0 130.9 -0.3 32.8 19.8 44 44 A P E +I 57 0B 64 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.501 42.2 172.2 -67.6 141.2 -0.5 29.1 18.9 45 45 A K E -I 56 0B 71 11,-2.1 11,-2.9 -2,-0.2 2,-0.5 -0.991 28.0-140.6-151.7 152.6 0.5 28.3 15.3 46 46 A M E +I 55 0B 118 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.970 21.3 178.8-117.0 128.3 1.2 25.3 13.0 47 47 A I E -I 54 0B 21 7,-2.1 7,-2.7 -2,-0.5 2,-0.2 -0.967 6.9-176.3-127.8 145.0 4.1 25.4 10.5 48 48 A G E +I 53 0B 36 -2,-0.4 2,-0.3 5,-0.3 5,-0.2 -0.746 17.9 145.7-133.2-177.7 5.0 22.7 8.2 49 49 A G E > -I 52 0B 27 3,-1.2 3,-1.8 -2,-0.2 2,-0.2 -0.900 67.9 -13.2 176.1-153.3 7.5 21.6 5.6 50 50 A I T 3 S+ 0 0 25 -2,-0.3 101,-1.5 1,-0.3 102,-0.6 -0.489 131.8 31.1 -70.5 134.9 9.1 18.3 4.6 51 51 A G T 3 S- 0 0 30 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.109 121.4 -92.6 103.9 -22.6 8.3 15.8 7.4 52 52 A G E < -I 49 0B 28 -3,-1.8 -3,-1.2 100,-0.1 99,-0.3 -0.804 59.5 -32.1 120.5-158.8 5.0 17.4 8.3 53 53 A F E -I 48 0B 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.713 41.0-166.2-107.1 154.8 3.7 20.0 10.7 54 54 A I E -I 47 0B 22 -7,-2.7 -7,-2.1 -2,-0.3 2,-0.4 -0.979 24.0-117.9-138.9 149.1 4.7 21.1 14.2 55 55 A K E +I 46 0B 98 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.750 40.0 170.6 -89.3 130.3 3.0 23.3 16.8 56 56 A V E -I 45 0B 1 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.804 33.3-114.9-132.9 171.8 4.9 26.4 17.8 57 57 A R E -IJ 44 77B 39 20,-2.4 20,-2.6 -2,-0.3 2,-0.7 -0.959 25.3-142.0-114.3 125.8 4.3 29.6 19.8 58 58 A Q E -IJ 43 76B 42 -15,-3.2 -15,-1.1 -2,-0.5 2,-0.5 -0.809 18.1-176.9 -94.7 109.6 4.3 32.9 18.0 59 59 A Y E -IJ 42 75B 11 16,-2.6 16,-2.8 -2,-0.7 3,-0.3 -0.896 17.6-144.9-103.0 128.5 5.9 35.8 19.8 60 60 A D E + 0 0 85 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.622 65.0 12.0 -97.1 157.2 5.6 39.1 18.0 61 61 A Q E S+ 0 0 168 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.908 76.4 162.1 45.7 65.4 8.1 42.0 17.8 62 62 A I E - J 0 73B 22 11,-2.8 11,-2.1 -3,-0.3 2,-0.5 -0.760 35.8-125.2-108.4 153.5 11.2 40.4 19.3 63 63 A L E + J 0 72B 70 -2,-0.3 -47,-0.5 9,-0.2 2,-0.4 -0.894 28.4 178.0-104.2 126.3 14.7 41.8 18.9 64 64 A I E - J 0 71B 0 7,-2.7 7,-1.9 -2,-0.5 2,-0.8 -0.993 21.6-146.1-127.6 135.3 17.4 39.5 17.6 65 65 A E E -EJ 14 70B 59 -51,-2.6 -51,-2.3 -2,-0.4 2,-0.8 -0.895 16.5-169.2-103.3 107.1 20.9 40.5 16.9 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-1.7 -2,-0.8 -53,-0.2 -0.855 73.5 -30.5 -99.4 102.7 22.2 38.6 13.9 67 67 A C T 3 S- 0 0 61 -55,-1.8 -1,-0.2 -2,-0.8 -54,-0.1 0.956 125.9 -46.7 55.8 48.6 25.9 39.0 13.5 68 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.068 116.8 113.9 85.2 -29.7 25.8 42.5 15.1 69 69 A H E < - J 0 66B 78 -3,-1.7 -3,-2.9 -2,-0.1 2,-0.3 -0.642 63.2-136.9 -78.4 128.4 22.9 43.6 13.0 70 70 A K E + J 0 65B 145 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.632 25.8 179.7 -85.4 147.0 19.8 44.2 15.1 71 71 A A E - J 0 64B 4 -7,-1.9 -7,-2.7 -2,-0.3 2,-0.4 -0.985 16.3-152.9-146.3 149.6 16.5 43.0 13.7 72 72 A I E + J 0 63B 92 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.977 38.8 103.6-124.7 139.1 12.9 43.1 15.0 73 73 A G E - 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