==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ACID PROTEASE 13-DEC-97 1HVH . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.-H.CHANG . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.6 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 . 1 0.5 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 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.1 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 1 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 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 A P 0 0 97 0, 0.0 198,-1.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.0 -12.5 39.4 29.5 2 2 A Q E -A 198 0A 136 196,-0.2 2,-0.6 194,-0.0 196,-0.3 -0.688 360.0-154.1 -83.4 128.3 -14.7 37.8 26.8 3 3 A V E -A 197 0A 26 194,-4.5 194,-3.1 -2,-0.4 2,-0.1 -0.913 4.3-154.0-115.7 116.0 -12.6 35.2 25.3 4 4 A T E -A 196 0A 51 -2,-0.6 3,-0.4 192,-0.2 192,-0.2 -0.433 18.8-128.8 -76.6 156.8 -13.3 34.1 21.7 5 5 A L S S+ 0 0 1 190,-0.7 186,-0.2 1,-0.2 185,-0.1 0.083 78.5 102.9-102.5 28.2 -12.2 30.6 20.8 6 6 A W S S+ 0 0 177 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.703 92.9 34.6 -75.7 -22.7 -10.1 31.0 17.7 7 7 A Q S S- 0 0 113 -3,-0.4 0, 0.0 3,-0.0 0, 0.0 -0.922 109.1 -87.7-127.9 153.9 -7.1 30.5 19.8 8 8 A R - 0 0 104 -2,-0.3 2,-1.3 1,-0.1 119,-0.1 -0.410 47.8-112.0 -58.7 136.7 -6.9 28.2 22.8 9 9 A P + 0 0 2 0, 0.0 15,-2.0 0, 0.0 2,-0.4 -0.581 48.1 175.6 -78.1 101.5 -8.0 30.2 25.9 10 10 A L E -D 23 0B 95 -2,-1.3 2,-0.3 13,-0.2 13,-0.2 -0.884 5.9-177.7-107.8 140.9 -4.7 30.5 27.8 11 11 A V E -D 22 0B 10 11,-2.3 11,-2.8 -2,-0.4 2,-0.5 -0.911 29.5-110.8-133.7 153.5 -4.4 32.5 31.0 12 12 A T E -D 21 0B 92 -2,-0.3 55,-2.6 9,-0.2 2,-0.3 -0.768 37.1-173.7 -90.6 131.1 -1.6 33.3 33.3 13 13 A I E -DE 20 66B 2 7,-2.9 7,-3.5 -2,-0.5 2,-0.4 -0.911 16.3-152.2-121.3 150.4 -1.8 31.6 36.7 14 14 A K E +DE 19 65B 100 51,-2.3 51,-2.6 -2,-0.3 2,-0.3 -0.994 23.7 165.4-123.7 126.8 0.3 32.0 39.9 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.3 -2,-0.4 49,-0.1 -0.974 65.0 -7.9-146.1 129.1 0.6 29.0 42.2 16 16 A G T 3 S- 0 0 49 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.879 131.7 -51.9 49.2 41.8 3.0 28.3 45.1 17 17 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.511 117.2 117.1 72.6 11.9 4.9 31.4 44.2 18 18 A Q E < -D 15 0B 67 -3,-2.3 -3,-2.6 2,-0.0 2,-0.5 -0.887 58.5-136.5-117.2 145.6 5.2 30.2 40.5 19 19 A L E +D 14 0B 142 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.815 32.9 160.9 -95.6 128.2 3.9 31.6 37.2 20 20 A K E -D 13 0B 44 -7,-3.5 -7,-2.9 -2,-0.5 2,-0.4 -0.858 36.7-122.4-136.7 174.3 2.3 29.3 34.7 21 21 A E E -D 12 0B 103 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.970 35.9-173.1-117.5 130.4 0.0 29.5 31.7 22 22 A A E -D 11 0B 1 -11,-2.8 -11,-2.3 -2,-0.4 2,-0.4 -0.919 22.1-116.8-133.6 160.8 -3.1 27.4 31.9 23 23 A L E -Df 10 84B 2 60,-2.7 62,-2.9 -2,-0.3 2,-0.9 -0.757 19.4-133.6 -95.2 134.4 -6.0 26.3 29.8 24 24 A L E - f 0 85B 7 -15,-2.0 2,-0.6 -2,-0.4 62,-0.1 -0.758 33.1-178.2 -87.7 110.2 -9.6 27.3 30.5 25 25 A D > + 0 0 17 60,-2.4 3,-1.1 -2,-0.9 62,-0.2 -0.880 24.7 179.4-120.3 102.8 -11.3 24.0 30.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.651 86.3 61.4 -70.3 -20.7 -15.1 23.8 30.5 27 27 A G T 3 S+ 0 0 9 96,-0.1 2,-0.4 81,-0.1 -1,-0.2 0.508 89.1 86.6 -83.1 -8.1 -15.0 20.1 29.8 28 28 A A < - 0 0 16 -3,-1.1 59,-4.0 57,-0.2 60,-0.1 -0.806 56.9-165.1-100.2 133.9 -12.7 19.4 32.9 29 29 A D S S+ 0 0 56 -2,-0.4 59,-1.4 57,-0.3 2,-0.2 0.857 77.6 29.6 -81.2 -36.4 -14.3 18.8 36.2 30 30 A D S S- 0 0 68 57,-0.2 2,-0.4 58,-0.1 57,-0.2 -0.688 85.5-108.8-118.0 172.0 -11.1 19.3 38.1 31 31 A T E -g 75 0B 0 43,-0.7 45,-2.4 -2,-0.2 2,-0.4 -0.825 32.9-168.4-101.5 137.7 -8.0 21.3 37.6 32 32 A V E -gH 76 84B 10 52,-2.6 52,-2.2 -2,-0.4 2,-0.4 -0.971 0.8-163.9-138.3 124.3 -4.9 19.5 36.7 33 33 A L E -g 77 0B 0 43,-2.8 45,-2.3 -2,-0.4 47,-0.2 -0.829 26.4-108.2-110.1 149.1 -1.4 20.8 36.6 34 34 A E E -g 78 0B 89 -2,-0.4 -1,-0.0 43,-0.2 49,-0.0 -0.329 68.2 -62.6 -63.9 144.3 1.7 19.6 35.2 35 35 A E S S+ 0 0 117 43,-1.0 2,-0.3 45,-0.2 -1,-0.2 -0.002 74.5 158.5 -36.1 118.1 4.2 18.3 37.8 36 36 A M - 0 0 13 -3,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.918 44.4 -94.2-144.2 164.8 5.2 21.1 40.1 37 37 A S + 0 0 94 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.733 45.5 171.6 -89.1 123.3 6.6 21.7 43.5 38 38 A L - 0 0 16 -2,-0.6 2,-0.3 2,-0.1 -22,-0.0 -0.969 35.5-124.1-130.5 145.2 4.2 22.1 46.2 39 39 A P + 0 0 106 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.635 65.3 8.8 -76.3 141.6 4.4 22.3 50.0 40 40 A G S S- 0 0 51 -2,-0.3 2,-0.2 2,-0.1 -2,-0.1 -0.787 78.2 -3.2 142.1 174.3 2.1 19.7 51.4 41 41 A R + 0 0 120 -2,-0.2 2,-0.3 17,-0.1 19,-0.2 -0.377 49.1 177.6 94.2 78.4 0.1 17.4 52.1 42 42 A W - 0 0 111 -2,-0.2 17,-0.2 17,-0.1 -2,-0.1 -0.946 21.1-152.4-162.7 143.8 -1.3 15.2 49.3 43 43 A K E -I 58 0B 114 15,-2.4 15,-6.1 -2,-0.3 2,-0.2 -0.777 25.9-120.6-110.2 151.4 -3.4 12.3 48.4 44 44 A P E +I 57 0B 87 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.485 33.3 158.6 -86.3 167.7 -3.2 10.1 45.4 45 45 A K E -I 56 0B 124 11,-1.5 11,-5.0 -2,-0.2 2,-0.4 -0.942 31.3-134.7 176.9 151.1 -5.7 9.3 42.6 46 46 A M E -I 55 0B 90 9,-0.3 2,-0.2 -2,-0.3 9,-0.2 -0.917 29.7-164.9-111.4 145.3 -6.0 8.1 39.1 47 47 A I E -I 54 0B 37 7,-1.4 7,-0.8 -2,-0.4 2,-0.4 -0.748 22.7 -93.2-126.5 176.5 -8.3 9.9 36.8 48 48 A G E +I 53 0B 55 -2,-0.2 2,-0.2 5,-0.2 5,-0.2 -0.723 48.9 156.1 -93.0 136.7 -10.1 9.5 33.5 49 49 A G E > -I 52 0B 16 3,-1.3 3,-0.7 -2,-0.4 2,-0.3 -0.691 45.3 -68.3-140.5-166.9 -8.5 10.7 30.2 50 50 A I T 3 S- 0 0 32 1,-0.5 104,-0.2 -2,-0.2 100,-0.2 -0.839 120.2 -9.1-137.9 95.8 -8.3 10.3 26.5 51 51 A G T 3 S+ 0 0 16 -2,-0.3 -1,-0.5 102,-0.3 2,-0.2 0.647 127.4 2.7-114.6 154.0 -7.2 7.8 26.3 52 52 A G E < S-I 49 0B 36 -3,-0.7 -3,-1.3 100,-0.2 2,-0.4 -0.500 70.6 -75.7 118.6 170.0 -5.9 6.3 29.5 53 53 A F E -I 48 0B 150 98,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.958 33.2-161.9-119.4 129.3 -5.6 6.8 33.2 54 54 A I E -I 47 0B 7 -7,-0.8 -7,-1.4 -2,-0.4 2,-0.5 -0.946 16.8-132.8-119.6 125.3 -3.2 9.0 35.0 55 55 A K E +I 46 0B 169 -2,-0.5 -9,-0.3 -9,-0.2 2,-0.3 -0.626 35.6 177.8 -74.8 124.9 -2.1 8.9 38.6 56 56 A V E -I 45 0B 2 -11,-5.0 -11,-1.5 -2,-0.5 2,-0.5 -0.818 28.6-118.9-127.0 158.3 -2.3 12.3 40.1 57 57 A R E -IJ 44 77B 60 20,-1.6 20,-2.2 -2,-0.3 2,-0.7 -0.879 23.6-136.8-104.8 139.1 -1.7 13.8 43.5 58 58 A Q E +IJ 43 76B 54 -15,-6.1 -15,-2.4 -2,-0.5 2,-0.6 -0.820 22.7 178.0 -98.9 106.8 -4.5 15.5 45.3 59 59 A Y E - J 0 75B 9 16,-2.1 16,-2.0 -2,-0.7 3,-0.4 -0.919 13.2-162.2-108.6 115.6 -3.7 18.8 47.0 60 60 A D E + 0 0 28 -2,-0.6 14,-0.2 14,-0.2 -19,-0.1 -0.698 63.4 27.4-101.4 160.1 -6.6 20.6 48.6 61 61 A Q E S+ 0 0 131 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.851 75.4 165.1 64.4 42.6 -7.0 24.1 49.6 62 62 A I E - J 0 73B 29 11,-3.3 11,-1.2 -3,-0.4 2,-0.5 -0.753 34.6-133.3 -93.2 126.6 -4.5 25.6 47.1 63 63 A L E - J 0 72B 73 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.732 29.9-178.6 -80.7 128.5 -4.5 29.3 46.6 64 64 A I E -EJ 15 71B 0 7,-3.6 7,-1.9 -2,-0.5 2,-0.6 -0.980 19.4-154.5-129.6 133.1 -4.5 30.0 42.8 65 65 A E E -EJ 14 70B 63 -51,-2.6 -51,-2.3 -2,-0.4 2,-0.6 -0.968 16.9-173.5-112.0 119.9 -4.5 33.4 41.2 66 66 A I E > -EJ 13 69B 4 3,-3.1 3,-2.2 -2,-0.6 -53,-0.2 -0.951 68.5 -31.1-119.1 111.2 -5.9 33.2 37.7 67 67 A C T 3 S- 0 0 58 -55,-2.6 -54,-0.1 -2,-0.6 3,-0.1 0.638 131.2 -41.3 57.8 12.3 -5.8 36.2 35.5 68 68 A G T 3 S+ 0 0 57 1,-0.4 -1,-0.3 -56,-0.2 2,-0.3 0.034 114.8 111.8 126.6 -29.4 -6.0 38.3 38.6 69 69 A H E < - J 0 66B 66 -3,-2.2 -3,-3.1 24,-0.0 -1,-0.4 -0.586 58.5-138.0 -85.2 140.6 -8.5 36.4 40.7 70 70 A K E + J 0 65B 156 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.740 30.0 167.0 -92.7 138.3 -7.8 34.6 43.8 71 71 A A E - J 0 64B 3 -7,-1.9 -7,-3.6 -2,-0.4 2,-0.4 -0.973 20.5-149.8-151.3 148.2 -9.4 31.2 44.2 72 72 A I E + J 0 63B 80 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.960 39.8 90.8-122.0 143.7 -8.8 28.3 46.6 73 73 A G E - J 0 62B 15 -11,-1.2 -11,-3.3 -2,-0.4 2,-0.5 -1.000 65.9 -34.2 168.5-167.5 -9.3 24.6 46.0 74 74 A T E + 0 0 40 -2,-0.3 -43,-0.7 -14,-0.2 2,-0.4 -0.746 43.2 177.9 -95.1 128.9 -8.2 21.3 45.0 75 75 A V E -gJ 31 59B 1 -16,-2.0 -16,-2.1 -2,-0.5 2,-0.3 -0.977 19.6-141.6-125.3 136.5 -5.8 20.8 42.2 76 76 A L E -gJ 32 58B 7 -45,-2.4 -43,-2.8 -2,-0.4 2,-0.6 -0.758 11.8-150.3 -95.4 146.2 -4.4 17.5 41.0 77 77 A V E +gJ 33 57B 1 -20,-2.2 -20,-1.6 -2,-0.3 -43,-0.2 -0.944 37.0 128.2-122.6 114.0 -0.8 17.4 40.0 78 78 A G E -g 34 0B 0 -45,-2.3 2,-2.4 -2,-0.6 -43,-1.0 -0.801 68.2 -59.7-147.5-170.4 0.2 14.9 37.4 79 79 A P S S+ 0 0 81 0, 0.0 72,-0.5 0, 0.0 -45,-0.1 -0.351 70.2 154.1 -77.9 63.5 1.8 14.0 34.1 80 80 A T - 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