==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ACID PROTEASE) 29-MAR-95 1HBV . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.HOOG,S.ABDEL-MEGUID . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 37.4 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 . 21 10.6 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 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 0 5 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 A P 0 0 79 0, 0.0 198,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 178.0 -13.0 39.4 29.6 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.877 360.0-165.3-106.2 133.6 -14.7 37.9 26.6 3 3 A I E -A 197 0A 28 194,-2.6 194,-2.8 -2,-0.4 2,-0.2 -0.991 4.1-157.3-127.9 120.6 -12.5 35.2 24.9 4 4 A T E -A 196 0A 44 -2,-0.5 3,-0.4 192,-0.2 192,-0.1 -0.461 20.8-126.2 -86.0 164.4 -13.4 34.0 21.4 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 1,-0.2 185,-0.1 0.101 77.1 108.2-109.7 32.2 -12.2 30.5 20.5 6 6 A W S S+ 0 0 180 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.578 92.8 33.0 -78.8 -5.7 -10.2 31.0 17.2 7 7 A Q S S- 0 0 102 -3,-0.4 0, 0.0 3,-0.0 0, 0.0 -0.941 110.1 -79.4-140.2 158.0 -7.1 30.4 19.4 8 8 A R - 0 0 108 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.425 48.0-120.3 -59.9 130.4 -6.5 28.2 22.5 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.543 48.9 165.9 -77.9 79.1 -7.9 30.1 25.6 10 10 A L E +D 23 0B 73 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.727 10.5 178.5 -94.4 149.3 -4.7 30.3 27.7 11 11 A V E -D 22 0B 17 11,-2.3 11,-2.9 -2,-0.3 2,-0.3 -0.967 32.4-105.0-147.7 150.4 -4.4 32.6 30.7 12 12 A T E -D 21 0B 81 -2,-0.3 55,-2.6 9,-0.2 2,-0.3 -0.663 35.9-172.9 -79.3 137.3 -1.6 33.3 33.2 13 13 A I E -DE 20 66B 2 7,-2.3 7,-1.7 -2,-0.3 2,-0.5 -0.841 17.6-144.5-125.1 158.2 -2.1 31.8 36.7 14 14 A K E +DE 19 65B 92 51,-1.2 51,-2.4 -2,-0.3 2,-0.3 -0.980 30.9 164.1-126.7 118.3 0.1 32.4 39.8 15 15 A I E > -DE 18 64B 1 3,-2.3 3,-2.3 -2,-0.5 49,-0.1 -0.999 62.9 -8.6-139.1 128.4 0.3 29.2 41.9 16 16 A G T 3 S- 0 0 44 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.768 127.6 -54.8 58.2 29.7 2.8 28.4 44.7 17 17 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.176 117.1 110.1 88.8 -13.4 4.9 31.5 43.9 18 18 A Q E < -D 15 0B 69 -3,-2.3 -3,-2.3 1,-0.0 2,-0.4 -0.682 62.8-132.5-105.3 153.6 5.3 30.5 40.2 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.837 35.2 158.8-102.6 130.6 3.9 31.9 37.0 20 20 A K E -D 13 0B 45 -7,-1.7 -7,-2.3 -2,-0.4 2,-0.4 -0.857 37.4-123.5-142.9 170.9 2.4 29.6 34.5 21 21 A E E -D 12 0B 125 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.975 31.5-172.9-117.9 133.2 -0.0 29.6 31.6 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.4 -0.942 25.0-117.3-131.7 152.8 -3.0 27.3 31.8 23 23 A L E -Df 10 84B 5 60,-3.0 62,-2.5 -2,-0.3 2,-0.7 -0.785 26.2-126.9 -85.4 130.5 -5.8 26.4 29.3 24 24 A L E - f 0 85B 1 -15,-2.8 2,-0.5 -2,-0.4 62,-0.2 -0.716 36.1-171.1 -78.3 111.3 -9.4 27.4 30.4 25 25 A D > + 0 0 14 60,-2.9 3,-1.2 -2,-0.7 62,-0.3 -0.830 28.4 176.0-117.2 105.4 -11.2 24.1 30.0 26 26 A T T 3 S+ 0 0 1 -2,-0.5 98,-0.1 1,-0.2 -1,-0.1 0.665 84.2 61.4 -75.3 -15.5 -15.0 23.6 30.3 27 27 A G T 3 S+ 0 0 11 96,-0.1 2,-0.4 81,-0.1 -1,-0.2 0.421 92.1 79.2 -86.5 1.1 -14.8 19.9 29.5 28 28 A A < - 0 0 20 -3,-1.2 59,-3.2 57,-0.2 60,-0.1 -0.903 58.5-164.5-115.3 131.0 -12.7 19.1 32.6 29 29 A D S S+ 0 0 53 -2,-0.4 59,-1.2 57,-0.2 2,-0.2 0.844 75.7 48.7 -80.9 -33.4 -14.3 18.8 35.9 30 30 A D S S- 0 0 64 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.669 80.2-118.8-109.9 162.4 -10.9 19.1 37.6 31 31 A T - 0 0 0 43,-0.5 45,-1.8 -2,-0.2 2,-0.4 -0.836 33.5-176.9 -99.3 127.2 -7.8 21.3 37.5 32 32 A V E -gH 76 84B 8 52,-1.6 52,-3.0 -2,-0.5 2,-0.3 -0.997 2.3-172.0-128.9 125.1 -4.8 19.2 36.5 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.7 -2,-0.4 3,-0.1 -0.872 28.7-102.7-119.9 152.3 -1.4 20.9 36.4 34 34 A E E -g 78 0B 69 -2,-0.3 -1,-0.0 43,-0.2 49,-0.0 -0.311 63.5 -68.3 -69.2 151.6 2.0 19.6 35.2 35 35 A E S S+ 0 0 121 43,-0.9 2,-0.3 45,-0.2 -1,-0.2 -0.158 73.5 149.0 -45.3 125.0 4.5 18.5 37.9 36 36 A M - 0 0 12 -3,-0.1 2,-0.8 2,-0.0 -3,-0.1 -0.963 53.7 -79.3-156.7 162.3 5.7 21.4 39.9 37 37 A S + 0 0 93 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.652 51.3 174.7 -78.6 108.6 6.8 22.1 43.4 38 38 A L - 0 0 15 -2,-0.8 2,-0.3 2,-0.1 39,-0.0 -0.938 28.5-120.5-121.2 132.5 3.9 22.4 45.7 39 39 A P + 0 0 96 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.579 66.6 10.5 -65.8 127.9 3.9 22.9 49.5 40 40 A G S S- 0 0 59 -2,-0.3 2,-0.2 19,-0.0 -2,-0.1 -0.662 88.3 -34.5 116.3-164.4 2.3 20.3 51.7 41 41 A R + 0 0 240 -2,-0.2 19,-0.3 19,-0.1 2,-0.3 -0.657 49.5 178.4-102.4 159.3 0.7 16.9 51.9 42 42 A W - 0 0 108 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.936 23.4-125.3-154.8 170.1 -1.4 15.3 49.2 43 43 A K E -I 58 0B 127 15,-1.6 15,-2.7 -2,-0.3 2,-0.2 -0.963 29.8-114.4-122.9 136.4 -3.3 12.0 48.3 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.509 41.5 167.0 -62.4 141.2 -2.8 9.8 45.1 45 45 A K E -I 56 0B 111 11,-2.4 11,-3.1 -2,-0.2 2,-0.4 -0.900 30.4-133.8-149.1 164.7 -5.7 9.7 42.8 46 46 A M E -I 55 0B 117 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.995 20.1-164.0-131.5 119.2 -6.2 8.4 39.2 47 47 A I E -I 54 0B 30 7,-2.0 7,-2.3 -2,-0.4 2,-0.3 -0.795 13.7-132.5-105.0 144.4 -8.1 10.7 36.8 48 48 A G E +I 53 0B 45 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.740 29.5 163.9 -95.0 151.5 -9.5 9.4 33.5 49 49 A G E > -I 52 0B 22 3,-2.2 3,-1.1 -2,-0.3 100,-0.1 -0.872 53.4 -79.9-152.2-177.6 -9.1 11.1 30.2 50 50 A I T 3 S+ 0 0 34 -2,-0.3 101,-0.1 1,-0.3 3,-0.1 0.877 126.6 43.9 -68.2 -35.8 -9.5 10.2 26.6 51 51 A G T 3 S- 0 0 24 99,-1.4 2,-0.3 101,-0.3 -1,-0.3 0.522 127.2 -86.4 -83.7 -2.1 -6.2 8.3 26.1 52 52 A G E < -I 49 0B 23 -3,-1.1 -3,-2.2 98,-0.5 2,-0.3 -0.976 62.6 -37.5 134.7-148.8 -6.6 6.5 29.4 53 53 A F E -I 48 0B 160 -2,-0.3 2,-0.3 98,-0.3 -5,-0.2 -0.860 39.6-165.2-122.5 149.0 -5.9 7.2 33.0 54 54 A I E -I 47 0B 25 -7,-2.3 -7,-2.0 -2,-0.3 2,-0.4 -0.924 23.3-122.6-130.6 153.4 -2.9 8.9 34.8 55 55 A K E +I 46 0B 114 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.799 37.4 178.1 -92.3 136.0 -2.0 8.8 38.5 56 56 A V E -I 45 0B 6 -11,-3.1 -11,-2.4 -2,-0.4 2,-0.4 -0.857 31.4-116.0-138.2 167.6 -1.8 12.3 40.2 57 57 A R E -IJ 44 77B 64 20,-2.3 20,-2.2 -2,-0.3 2,-0.6 -0.891 32.0-137.7-102.7 135.8 -1.1 13.8 43.6 58 58 A Q E -IJ 43 76B 21 -15,-2.7 -15,-1.6 -2,-0.4 2,-0.5 -0.893 19.8-176.2-110.9 119.6 -4.1 15.6 45.1 59 59 A Y E - J 0 75B 3 16,-2.5 16,-2.6 -2,-0.6 3,-0.3 -0.944 10.8-161.0-108.4 123.5 -3.6 18.9 46.8 60 60 A D E + 0 0 84 -2,-0.5 14,-0.2 -19,-0.3 -19,-0.1 -0.727 68.5 20.8-104.7 156.9 -6.8 20.4 48.4 61 61 A Q E S+ 0 0 144 -2,-0.3 2,-0.5 1,-0.2 13,-0.2 0.802 76.5 159.7 56.5 38.5 -7.2 24.1 49.4 62 62 A I E - J 0 73B 27 11,-3.1 11,-1.6 -3,-0.3 2,-0.3 -0.821 36.8-133.8 -96.3 125.4 -4.4 25.4 47.1 63 63 A L E + J 0 72B 92 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.619 30.1 176.3 -74.7 135.9 -4.8 29.1 46.4 64 64 A I E -EJ 15 71B 1 7,-2.6 7,-2.1 -2,-0.3 2,-0.6 -0.997 25.8-142.4-148.2 141.5 -4.4 30.0 42.7 65 65 A E E -EJ 14 70B 57 -51,-2.4 -51,-1.2 -2,-0.4 2,-0.7 -0.919 16.4-166.9-109.2 101.1 -4.7 33.4 41.0 66 66 A I E > S-EJ 13 69B 0 3,-1.7 3,-1.8 -2,-0.6 -53,-0.2 -0.812 74.3 -30.9 -89.8 107.3 -6.3 32.9 37.5 67 67 A C T 3 S- 0 0 53 -55,-2.6 -1,-0.3 -2,-0.7 2,-0.2 0.972 127.3 -44.6 45.6 56.3 -6.0 36.2 35.4 68 68 A G T 3 S+ 0 0 62 -3,-0.3 2,-0.3 -56,-0.2 -1,-0.3 0.156 117.6 107.1 81.0 -22.3 -6.1 38.3 38.6 69 69 A H E < - J 0 66B 66 -3,-1.8 -3,-1.7 -2,-0.2 2,-0.3 -0.730 62.5-140.2 -89.0 141.6 -9.0 36.6 40.3 70 70 A K E + J 0 65B 138 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.747 24.7 172.1-102.7 146.2 -8.1 34.4 43.4 71 71 A A E - J 0 64B 3 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.4 -0.953 21.1-147.9-148.4 156.1 -9.7 31.1 44.0 72 72 A I E + J 0 63B 73 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.999 43.7 110.5-134.6 126.0 -9.0 28.3 46.6 73 73 A G E - J 0 62B 13 -11,-1.6 -11,-3.1 -2,-0.4 2,-0.4 -0.954 65.2 -48.3-171.1-171.6 -9.7 24.6 45.6 74 74 A T E - 0 0 42 -2,-0.3 -43,-0.5 -14,-0.2 2,-0.4 -0.746 44.0-169.2 -85.1 136.9 -8.2 21.3 44.8 75 75 A V E - J 0 59B 0 -16,-2.6 -16,-2.5 -2,-0.4 2,-0.5 -0.952 11.2-148.7-126.4 134.7 -5.4 21.0 42.2 76 76 A L E -gJ 32 58B 7 -45,-1.8 -43,-3.2 -2,-0.4 2,-0.4 -0.945 13.5-160.0-106.9 124.2 -4.2 17.7 40.8 77 77 A V E +gJ 33 57B 0 -20,-2.2 -20,-2.3 -2,-0.5 -43,-0.2 -0.911 37.3 97.2-110.6 136.1 -0.5 17.7 39.9 78 78 A G E S-g 34 0B 4 -45,-2.7 2,-1.8 -2,-0.4 -43,-0.9 -0.948 76.9 -28.3-178.4-164.9 0.8 15.1 37.5 79 79 A P S S+ 0 0 86 0, 0.0 72,-0.4 0, 0.0 -45,-0.1 -0.498 71.3 145.6 -71.9 64.0 1.8 14.1 34.0 80 80 A T - 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