==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAR-10 3LZS . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER,R.M.BANDARANAYAKE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 66.2 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 . 71 35.9 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 . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 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 3 2 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 83 0, 0.0 198,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.4 -27.4 30.3 -1.9 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.914 360.0-161.0 -98.1 142.9 -25.0 31.2 0.8 3 3 A I E -A 197 0A 39 194,-3.2 194,-2.5 -2,-0.4 2,-0.1 -0.987 7.7-151.2-132.5 119.8 -23.9 28.1 2.7 4 4 A T - 0 0 80 -2,-0.4 3,-0.3 192,-0.2 192,-0.1 -0.421 19.2-128.8 -83.1 173.9 -22.3 28.0 6.2 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.027 73.5 110.4-123.0 27.1 -20.0 25.1 7.0 6 6 A W S S+ 0 0 185 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.794 91.1 32.2 -68.6 -27.4 -21.2 23.6 10.3 7 7 A K S S- 0 0 68 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.837 111.3 -76.3-120.5 162.9 -22.3 20.6 8.2 8 8 A R - 0 0 127 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.383 47.3-119.2 -56.6 133.5 -20.7 19.0 5.1 9 9 A P + 0 0 4 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.458 49.6 169.4 -79.7 71.7 -21.6 21.2 2.0 10 10 A L E +D 23 0B 60 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.705 8.3 179.8 -86.3 132.6 -23.4 18.4 0.2 11 11 A V E -D 22 0B 13 11,-2.9 11,-2.3 -2,-0.4 2,-0.4 -0.885 31.7-107.4-127.2 161.1 -25.4 19.3 -2.9 12 12 A T E -D 21 0B 79 -2,-0.3 55,-1.8 9,-0.2 2,-0.4 -0.740 35.6-167.4 -85.2 135.0 -27.5 17.3 -5.4 13 13 A V E -DE 20 66B 1 7,-3.2 7,-2.9 -2,-0.4 2,-0.6 -0.971 12.4-152.4-124.8 138.3 -25.9 16.9 -8.8 14 14 A K E +DE 19 65B 105 51,-2.4 51,-1.6 -2,-0.4 2,-0.4 -0.961 25.5 164.7-109.6 122.7 -27.6 15.6 -12.0 15 15 A I E > -D 18 0B 3 3,-2.6 3,-1.9 -2,-0.6 49,-0.1 -0.980 65.9 -11.5-144.4 121.9 -25.2 14.0 -14.4 16 16 A G T 3 S- 0 0 63 47,-0.5 3,-0.1 -2,-0.4 21,-0.1 0.840 127.0 -55.7 59.4 38.1 -26.1 11.7 -17.3 17 17 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.450 117.0 114.0 74.3 -0.2 -29.7 11.5 -16.2 18 18 A Q E < -D 15 0B 63 -3,-1.9 -3,-2.6 2,-0.0 2,-0.5 -0.786 61.1-136.7-103.2 151.4 -28.5 10.2 -12.8 19 19 A L E +D 14 0B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.904 31.4 165.2-107.9 127.1 -29.0 12.0 -9.5 20 20 A K E -D 13 0B 45 -7,-2.9 -7,-3.2 -2,-0.5 2,-0.4 -0.893 33.7-124.8-133.4 164.3 -26.0 12.0 -7.0 21 21 A E E +D 12 0B 102 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.925 34.1 175.2-106.8 141.0 -24.9 13.8 -3.9 22 22 A A E -D 11 0B 0 -11,-2.3 -11,-2.9 -2,-0.4 2,-0.4 -0.981 30.5-112.9-145.5 154.0 -21.5 15.5 -4.0 23 23 A L E -Df 10 84B 10 60,-2.8 62,-3.2 -2,-0.3 2,-0.7 -0.714 24.3-128.0 -90.4 129.1 -19.4 17.7 -1.7 24 24 A L E - f 0 85B 1 -15,-3.0 2,-0.5 -2,-0.4 62,-0.1 -0.724 39.5-171.8 -73.4 115.7 -18.7 21.3 -2.7 25 25 A D > + 0 0 14 60,-2.5 3,-1.6 -2,-0.7 62,-0.3 -0.852 29.3 179.7-130.8 97.7 -14.9 21.1 -2.2 26 26 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 99,-0.1 0.719 86.1 61.3 -69.8 -22.8 -12.7 24.2 -2.5 27 27 A G T 3 S+ 0 0 16 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.460 89.4 84.3 -80.6 -1.3 -9.6 22.0 -1.7 28 28 A A < - 0 0 17 -3,-1.6 59,-3.0 57,-0.2 60,-0.2 -0.911 57.5-165.2-105.6 125.8 -10.1 19.9 -4.9 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.852 77.8 36.1 -66.8 -37.4 -8.7 21.1 -8.2 30 30 A D S S- 0 0 54 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.723 83.8-109.5-125.2 165.1 -10.8 18.6 -10.1 31 31 A T - 0 0 0 43,-0.5 45,-3.1 -2,-0.2 2,-0.4 -0.833 35.7-177.0-100.2 125.2 -14.3 16.9 -9.9 32 32 A V E -gH 76 84B 5 52,-1.9 52,-3.0 -2,-0.5 2,-0.3 -0.986 5.2-179.4-134.2 124.1 -14.2 13.2 -8.9 33 33 A L E -g 77 0B 3 43,-2.9 45,-2.3 -2,-0.4 47,-0.2 -0.891 10.8-174.6-120.4 151.7 -17.2 10.8 -8.7 34 34 A E S S+ 0 0 102 -2,-0.3 2,-1.0 43,-0.2 -1,-0.1 0.808 73.6 56.4-109.2 -44.8 -17.3 7.1 -7.7 35 35 A D S S+ 0 0 73 2,-0.0 2,-0.3 42,-0.0 -1,-0.1 -0.263 90.1 95.2 -95.7 48.9 -20.8 5.7 -8.1 36 36 A I - 0 0 16 -2,-1.0 2,-0.5 -3,-0.1 -3,-0.1 -0.987 54.4-154.8-147.9 146.6 -21.3 6.5 -11.8 37 37 A N - 0 0 84 -2,-0.3 -2,-0.0 -21,-0.1 -3,-0.0 -0.958 20.1-173.2-124.1 103.7 -21.0 5.1 -15.3 38 38 A L - 0 0 16 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.779 20.2-123.7 -99.1 146.7 -20.5 7.7 -18.0 39 39 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.339 60.1 26.5 -87.0 167.4 -20.5 6.7 -21.7 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.0 2,-0.0 -0.204 93.6 -17.4 87.1-169.7 -17.9 7.2 -24.5 41 41 A K + 0 0 97 -2,-0.0 2,-0.3 19,-0.0 19,-0.3 -0.241 55.7 172.4 -73.8 158.9 -14.1 7.6 -24.6 42 42 A W - 0 0 106 17,-0.1 17,-0.2 -2,-0.0 15,-0.0 -0.964 24.6-127.0-159.4 161.4 -11.9 8.6 -21.7 43 43 A K E -I 58 0B 43 15,-1.9 15,-2.6 -2,-0.3 2,-0.1 -0.899 29.9-109.3-116.0 144.1 -8.2 8.9 -20.9 44 44 A P E +I 57 0B 110 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.433 46.0 160.9 -71.4 149.0 -6.3 7.2 -18.0 45 45 A K E -I 56 0B 67 11,-1.5 11,-3.5 -2,-0.1 2,-0.4 -0.979 28.8-140.9-162.0 153.8 -5.1 9.5 -15.2 46 46 A M E -I 55 0B 110 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.974 14.1-170.6-121.5 142.0 -4.0 9.4 -11.6 47 47 A I E -I 54 0B 22 7,-2.2 7,-2.2 -2,-0.4 2,-0.3 -0.982 11.3-144.0-127.3 144.9 -4.7 11.9 -8.9 48 48 A G E +I 53 0B 61 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.806 26.7 149.2-108.9 148.9 -3.3 12.2 -5.4 49 49 A G E > -I 52 0B 21 3,-3.4 3,-1.5 -2,-0.3 2,-0.5 -0.614 61.1 -33.4-141.4-152.9 -4.8 13.2 -2.1 50 50 A I T 3 S+ 0 0 24 1,-0.2 101,-0.9 -2,-0.2 99,-0.5 -0.658 133.9 27.8 -70.4 122.5 -4.4 12.4 1.6 51 51 A G T 3 S- 0 0 30 -2,-0.5 2,-0.4 128,-0.3 -1,-0.2 0.279 124.2 -89.8 105.8 -10.3 -3.4 8.7 1.7 52 52 A G E < -I 49 0B 34 -3,-1.5 -3,-3.4 100,-0.2 99,-0.4 -0.832 68.0 -20.7 109.5-143.3 -1.7 8.8 -1.8 53 53 A F E -I 48 0B 131 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.661 34.9-165.6-119.1 156.4 -3.1 8.2 -5.2 54 54 A I E -I 47 0B 18 -7,-2.2 -7,-2.2 -2,-0.2 2,-0.4 -0.979 27.4-119.8-133.2 148.4 -5.9 6.6 -7.1 55 55 A K E -I 46 0B 65 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.720 38.6-177.2 -82.9 135.3 -6.3 5.8 -10.8 56 56 A V E -I 45 0B 7 -11,-3.5 -11,-1.5 -2,-0.4 2,-0.5 -0.921 30.1-117.9-130.2 157.4 -9.3 7.5 -12.4 57 57 A R E -IJ 44 77B 117 20,-3.4 20,-2.8 -2,-0.3 2,-0.7 -0.857 29.8-143.9 -89.6 130.2 -11.0 7.7 -15.8 58 58 A Q E -IJ 43 76B 42 -15,-2.6 -15,-1.9 -2,-0.5 2,-0.5 -0.877 17.1-173.6 -98.5 117.2 -10.9 11.2 -17.2 59 59 A Y E - J 0 75B 8 16,-2.6 16,-2.7 -2,-0.7 3,-0.3 -0.946 12.2-149.7-110.4 127.2 -14.0 12.2 -19.1 60 60 A D E + 0 0 91 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.614 67.2 14.3 -98.4 154.1 -14.0 15.5 -20.9 61 61 A Q E S+ 0 0 73 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.906 78.9 167.3 54.0 51.1 -16.8 18.0 -21.7 62 62 A I E - J 0 73B 26 11,-2.9 11,-2.3 -3,-0.3 2,-0.4 -0.834 31.6-130.8 -96.6 133.5 -19.3 16.4 -19.3 63 63 A L E + J 0 72B 96 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.663 29.8 175.2 -83.1 131.7 -22.5 18.2 -18.5 64 64 A I E - J 0 71B 3 7,-3.2 7,-2.4 -2,-0.4 2,-0.5 -0.964 21.2-154.2-132.4 152.5 -23.4 18.6 -14.8 65 65 A E E -EJ 14 70B 59 -51,-1.6 -51,-2.4 -2,-0.3 2,-0.5 -0.988 13.9-174.3-126.1 116.1 -26.2 20.4 -13.0 66 66 A I E > S-EJ 13 69B 2 3,-2.6 3,-0.7 -2,-0.5 -53,-0.2 -0.967 78.6 -16.4-121.7 116.8 -25.4 21.4 -9.4 67 67 A C T 3 S- 0 0 82 -55,-1.8 -1,-0.2 -2,-0.5 -54,-0.1 0.865 130.6 -56.6 47.9 39.7 -28.3 22.9 -7.4 68 68 A G T 3 S+ 0 0 57 -56,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.817 112.1 119.8 67.7 30.4 -29.8 23.4 -10.9 69 69 A K E < - 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