==== 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 10-DEC-96 1HPO . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR K.D.WATENPAUGH,M.N.JANAKIRAMAN . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9840.0 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 . 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 . 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 . 31 15.7 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 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 2 3 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 95 0, 0.0 198,-0.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-158.0 30.3 39.5 4.4 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.902 360.0-160.6-106.0 134.6 30.3 36.9 1.7 3 3 A I E -A 197 0A 37 194,-2.7 194,-2.1 -2,-0.5 2,-0.2 -0.969 7.5-144.1-122.2 125.9 29.5 33.4 2.8 4 4 A T > - 0 0 77 -2,-0.5 3,-0.5 192,-0.2 192,-0.1 -0.579 12.9-135.5 -82.1 155.3 30.4 30.3 0.7 5 5 A L T 3 S+ 0 0 3 190,-0.5 186,-0.2 -2,-0.2 185,-0.1 -0.040 75.8 105.1-104.8 32.0 27.9 27.4 0.8 6 6 A W T 3 S+ 0 0 182 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.760 90.2 34.1 -77.0 -22.9 30.4 24.5 1.2 7 7 A K S < S- 0 0 84 -3,-0.5 -1,-0.0 180,-0.0 0, 0.0 -0.874 106.2 -80.5-129.0 161.9 29.2 24.4 4.8 8 8 A R - 0 0 139 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.365 46.8-123.0 -59.5 123.4 26.0 25.0 6.7 9 9 A P + 0 0 6 0, 0.0 15,-2.4 0, 0.0 2,-0.4 -0.577 46.1 171.6 -74.1 88.2 25.8 28.8 7.1 10 10 A L E +D 23 0B 80 -2,-1.9 13,-0.2 13,-0.2 2,-0.2 -0.870 5.7 178.5 -98.1 128.5 25.5 28.7 10.9 11 11 A V E -D 22 0B 12 11,-3.1 11,-2.4 -2,-0.4 2,-0.5 -0.701 30.8-109.3-123.0 174.9 25.7 32.0 12.8 12 12 A T E -D 21 0B 86 9,-0.3 55,-1.2 -2,-0.2 2,-0.3 -0.941 33.7-170.4-107.9 122.9 25.4 33.1 16.5 13 13 A I E -DE 20 66B 1 7,-3.7 7,-2.4 -2,-0.5 2,-0.5 -0.829 15.8-145.3-114.4 149.8 22.3 35.0 17.4 14 14 A K E +DE 19 65B 41 51,-0.8 51,-1.9 -2,-0.3 2,-0.4 -0.995 33.5 161.3-112.4 115.9 21.6 36.8 20.7 15 15 A I E > -DE 18 64B 2 3,-3.0 3,-2.9 -2,-0.5 49,-0.1 -0.997 59.0 -8.7-143.7 138.0 18.0 36.5 21.7 16 16 A G T 3 S- 0 0 47 47,-0.5 3,-0.1 -2,-0.4 21,-0.1 0.743 127.8 -54.6 50.3 30.4 16.1 36.9 24.9 17 17 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.441 118.8 104.7 85.7 1.0 19.3 37.2 26.8 18 18 A Q E < -D 15 0B 86 -3,-2.9 -3,-3.0 2,-0.0 2,-0.4 -0.877 65.3-132.7-119.9 146.9 20.7 33.9 25.5 19 19 A L E +D 14 0B 130 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.805 35.2 162.5 -94.1 140.1 23.3 33.1 22.9 20 20 A K E -D 13 0B 33 -7,-2.4 -7,-3.7 -2,-0.4 2,-0.3 -0.973 33.5-125.1-152.3 152.5 22.3 30.4 20.3 21 21 A E E -D 12 0B 122 -2,-0.3 62,-0.3 -9,-0.3 2,-0.3 -0.775 32.4-178.7-101.5 151.7 23.5 29.3 16.9 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-3.1 -2,-0.3 2,-0.4 -0.959 26.6-114.2-145.9 166.3 21.2 29.3 14.0 23 23 A L E -Df 10 84B 12 60,-2.3 62,-2.7 -2,-0.3 2,-0.8 -0.836 24.6-129.6-105.0 132.9 21.1 28.4 10.3 24 24 A L E - f 0 85B 0 -15,-2.4 2,-0.6 -2,-0.4 62,-0.2 -0.771 32.7-177.1 -83.5 114.7 20.5 31.1 7.7 25 25 A D > - 0 0 17 60,-2.3 3,-0.7 -2,-0.8 62,-0.3 -0.919 20.6-173.7-119.7 109.3 17.7 29.6 5.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.2 -1,-0.1 0.621 82.9 66.1 -75.1 -13.7 16.6 31.6 2.6 27 27 A G T 3 S+ 0 0 10 96,-0.1 2,-0.3 81,-0.1 -1,-0.2 0.799 84.5 84.9 -77.8 -26.7 13.8 29.2 2.0 28 28 A A < - 0 0 28 -3,-0.7 59,-3.4 57,-0.2 60,-0.2 -0.597 60.5-156.7 -86.6 135.6 11.8 30.0 5.2 29 29 A D S S+ 0 0 58 -2,-0.3 59,-2.3 57,-0.2 -1,-0.1 0.929 78.6 27.3 -68.3 -54.1 9.3 32.8 5.4 30 30 A D S S- 0 0 53 57,-0.2 2,-0.5 58,-0.1 57,-0.2 -0.331 87.0-101.2-102.0-173.2 9.5 33.3 9.2 31 31 A T - 0 0 0 43,-0.3 45,-3.1 54,-0.2 2,-0.5 -0.968 31.7-165.6-113.3 122.6 12.1 32.6 11.9 32 32 A V E -gH 76 84B 11 52,-1.3 52,-3.0 -2,-0.5 2,-0.3 -0.955 7.7-178.4-118.0 117.7 11.6 29.5 14.0 33 33 A I E -g 77 0B 0 43,-2.3 45,-2.0 -2,-0.5 47,-0.3 -0.759 34.3 -93.2-109.0 155.0 13.6 29.1 17.2 34 34 A E E -g 78 0B 84 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.273 61.4 -68.9 -66.9 158.8 13.5 26.2 19.6 35 35 A E S S+ 0 0 111 43,-1.4 2,-0.3 45,-0.2 -1,-0.2 -0.178 77.1 140.2 -48.0 117.6 11.2 26.0 22.6 36 36 A M - 0 0 18 -3,-0.1 2,-0.6 2,-0.0 -3,-0.0 -0.933 56.9 -91.0-153.1 171.4 12.4 28.7 25.1 37 37 A S + 0 0 107 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.841 45.6 171.1 -95.4 119.8 10.8 31.2 27.4 38 38 A L - 0 0 13 -2,-0.6 2,-0.2 2,-0.1 39,-0.0 -0.919 32.0-113.1-124.4 145.1 10.3 34.7 25.7 39 39 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 -0.567 71.4 42.7 -83.7 149.7 8.3 37.6 27.3 40 40 A G S S- 0 0 68 -2,-0.2 2,-0.3 19,-0.1 -2,-0.1 -0.848 88.5 -57.4 123.6-161.7 5.1 38.9 26.0 41 41 A R - 0 0 83 -2,-0.3 19,-0.5 19,-0.1 2,-0.3 -0.813 48.3-170.0-116.4 163.0 1.9 37.5 24.6 42 42 A W E -I 59 0B 118 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.982 21.2-133.5-153.3 159.1 1.6 35.1 21.6 43 43 A K E -I 58 0B 45 15,-1.6 15,-3.1 -2,-0.3 2,-0.2 -0.933 31.9-123.0-114.7 135.1 -0.9 33.6 19.3 44 44 A P E +I 57 0B 78 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.583 41.2 160.2 -77.9 146.8 -0.6 29.9 18.6 45 45 A K E -I 56 0B 80 11,-3.0 11,-2.7 -2,-0.2 2,-0.5 -0.960 34.8-116.2-156.4 170.9 -0.2 28.8 15.0 46 46 A M E -I 55 0B 110 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.963 20.9-171.5-123.1 122.8 1.0 25.9 12.7 47 47 A I E -I 54 0B 24 7,-1.7 7,-2.5 -2,-0.5 2,-0.3 -0.817 13.9-147.7-105.2 148.0 3.8 26.1 10.2 48 48 A G E +I 53 0B 41 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.791 25.7 148.4-115.4 160.5 4.5 23.3 7.8 49 49 A G - 0 0 21 3,-2.7 2,-0.7 -2,-0.3 3,-0.1 -0.570 58.2 -28.6-153.4-148.0 7.7 22.0 6.3 50 50 A I S S+ 0 0 31 1,-0.2 101,-0.9 -2,-0.2 102,-0.5 -0.825 133.1 19.6 -82.8 114.8 9.4 18.9 5.0 51 51 A G S S- 0 0 38 -2,-0.7 2,-0.3 128,-0.4 -1,-0.2 -0.035 126.4 -70.5 114.0 -31.1 7.7 16.2 7.0 52 52 A G - 0 0 24 100,-0.1 -3,-2.7 -3,-0.1 99,-0.4 -0.975 66.9 -40.1 145.4-158.7 4.6 18.0 8.1 53 53 A F E -I 48 0B 140 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.790 39.2-159.6-106.7 151.3 3.4 20.8 10.4 54 54 A I E -I 47 0B 17 -7,-2.5 -7,-1.7 -2,-0.3 2,-0.3 -0.946 23.2-118.6-127.3 148.6 4.5 21.7 13.9 55 55 A K E +I 46 0B 148 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.668 42.5 170.7 -85.8 141.6 2.5 23.8 16.4 56 56 A V E -I 45 0B 4 -11,-2.7 -11,-3.0 -2,-0.3 2,-0.5 -0.936 34.5-116.3-146.9 168.3 4.3 27.0 17.5 57 57 A R E -IJ 44 77B 54 20,-2.1 20,-2.4 -2,-0.3 2,-0.7 -0.955 25.5-144.3-114.9 118.0 3.7 30.2 19.4 58 58 A Q E -IJ 43 76B 49 -15,-3.1 -15,-1.6 -2,-0.5 2,-0.4 -0.749 17.4-175.6 -88.1 111.7 4.0 33.4 17.5 59 59 A Y E -IJ 42 75B 6 16,-2.3 16,-2.1 -2,-0.7 2,-0.2 -0.907 18.8-136.6-105.8 137.3 5.5 36.4 19.4 60 60 A D E + 0 0 86 -19,-0.5 14,-0.1 -2,-0.4 -19,-0.1 -0.656 66.7 3.8 -97.8 155.8 5.6 39.7 17.7 61 61 A Q E S+ 0 0 151 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.910 73.0 163.2 32.4 80.2 8.4 42.3 17.5 62 62 A I E - J 0 73B 22 11,-2.3 11,-1.7 -3,-0.2 2,-0.4 -0.853 34.7-125.0-114.7 150.2 11.2 40.6 19.3 63 63 A I E - J 0 72B 103 -2,-0.3 -47,-0.5 9,-0.2 2,-0.4 -0.859 27.9-177.8-103.0 137.0 14.7 41.9 18.8 64 64 A I E -EJ 15 71B 1 7,-2.6 7,-1.6 -2,-0.4 2,-0.9 -0.989 23.8-145.8-135.9 141.5 17.5 39.6 17.6 65 65 A E E -EJ 14 70B 76 -51,-1.9 -51,-0.8 -2,-0.4 2,-0.5 -0.837 24.3-173.0-106.6 83.0 21.1 40.4 17.1 66 66 A I E > -EJ 13 69B 1 3,-1.3 3,-2.5 -2,-0.9 -53,-0.2 -0.746 66.9 -27.8 -85.2 123.3 21.9 38.2 14.2 67 67 A C T 3 S- 0 0 56 -55,-1.2 2,-0.4 -2,-0.5 -1,-0.2 0.791 128.3 -37.9 32.0 80.3 25.6 38.3 13.5 68 68 A G T 3 S+ 0 0 70 -3,-0.3 2,-0.3 -56,-0.2 -1,-0.3 0.200 122.7 93.0 68.9 -16.6 26.6 41.7 14.8 69 69 A H E < - J 0 66B 93 -3,-2.5 -3,-1.3 -2,-0.4 2,-0.2 -0.866 68.0-131.8-114.6 148.2 23.4 43.4 13.6 70 70 A K E + J 0 65B 142 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.608 27.7 171.4 -89.7 155.1 20.0 44.0 15.3 71 71 A A E - J 0 64B 7 -7,-1.6 -7,-2.6 -2,-0.2 2,-0.3 -0.963 15.4-152.3-158.8 148.7 16.8 43.2 13.6 72 72 A I E + J 0 63B 80 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.954 39.1 91.8-132.2 150.4 13.2 43.2 14.9 73 73 A G E - 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