==== 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 3LZV . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR C.A.SCHIFFER,M.KOLLI . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 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 . 73 36.9 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 . 23 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 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 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 3 2 0 0 2 0 4 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 76 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.3 27.7 7.0 -3.7 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.946 360.0-164.1-106.9 130.7 24.0 6.4 -3.4 3 3 A I E -A 197 0A 31 194,-2.9 194,-2.3 -2,-0.5 2,-0.1 -0.953 4.9-152.0-122.0 122.4 23.0 3.2 -1.6 4 4 A T - 0 0 70 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.442 15.6-131.0 -83.3 171.0 19.6 1.7 -1.9 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.201 76.9 103.2-118.4 20.3 18.1 -0.4 0.9 6 6 A W S S+ 0 0 182 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.790 95.8 34.4 -69.3 -25.0 16.8 -3.6 -0.7 7 7 A K S S- 0 0 66 -3,-0.2 0, 0.0 180,-0.0 0, 0.0 -0.873 110.3 -82.1-119.4 160.8 19.9 -5.2 0.7 8 8 A R - 0 0 90 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.380 43.2-117.9 -54.7 131.9 21.8 -4.4 3.9 9 9 A P + 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.5 -0.413 53.2 162.6 -74.8 65.6 24.1 -1.4 3.5 10 10 A L E +D 23 0B 61 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.797 9.7 174.1 -89.8 126.1 27.3 -3.4 4.2 11 11 A V E -D 22 0B 17 11,-2.9 11,-2.9 -2,-0.5 2,-0.5 -0.818 34.2-103.6-126.3 163.1 30.5 -1.7 3.1 12 12 A T E -D 21 0B 85 -2,-0.3 55,-1.3 9,-0.2 2,-0.3 -0.772 36.7-169.1 -87.1 129.6 34.2 -2.5 3.5 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.5 -2,-0.5 2,-0.5 -0.869 14.0-144.0-115.2 153.0 36.0 -0.4 6.1 14 14 A R E +DE 19 65B 107 51,-2.1 51,-2.5 -2,-0.3 2,-0.3 -0.981 26.0 163.9-113.2 127.9 39.8 -0.1 6.6 15 15 A I E > S-D 18 0B 3 3,-2.3 3,-1.2 -2,-0.5 49,-0.1 -0.861 71.6 -18.3-148.2 105.9 40.9 0.2 10.2 16 16 A G T 3 S- 0 0 70 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 0.959 125.4 -51.1 66.2 54.6 44.6 -0.4 11.1 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.329 114.7 117.1 69.6 -13.2 45.5 -2.3 8.0 18 18 A Q E < -D 15 0B 105 -3,-1.2 -3,-2.3 2,-0.0 2,-0.5 -0.738 56.8-146.0 -92.7 139.5 42.5 -4.6 8.5 19 19 A L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.918 29.2 170.1 -98.6 121.9 39.7 -4.8 5.9 20 20 A K E -D 13 0B 31 -7,-2.5 -7,-3.3 -2,-0.5 2,-0.4 -0.915 34.4-119.1-132.0 157.1 36.3 -5.5 7.6 21 21 A E E +D 12 0B 120 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.770 37.9 178.1 -93.2 136.0 32.6 -5.5 6.6 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.9 -2,-0.4 2,-0.5 -0.999 27.0-121.2-143.2 153.3 30.4 -3.0 8.4 23 23 A L E -Df 10 84B 3 60,-2.8 62,-2.4 -2,-0.3 2,-0.7 -0.768 20.0-132.3 -97.8 122.8 26.8 -1.9 8.4 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.5 -2,-0.5 62,-0.1 -0.692 34.8-173.3 -73.3 112.4 25.9 1.7 7.8 25 25 A D > + 0 0 18 60,-2.4 3,-1.9 -2,-0.7 62,-0.3 -0.830 25.8 178.1-124.5 89.5 23.5 2.2 10.6 26 26 A T T 3 S+ 0 0 0 -2,-0.5 98,-0.1 1,-0.3 -1,-0.1 0.679 84.1 64.7 -67.7 -15.1 21.5 5.5 10.9 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.486 87.4 83.1 -81.2 -7.5 19.7 4.1 14.0 28 28 A A < - 0 0 13 -3,-1.9 59,-2.7 57,-0.2 60,-0.2 -0.880 57.4-165.1-101.5 127.2 23.0 4.0 16.0 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.828 80.2 40.6 -69.1 -33.0 24.2 7.1 17.7 30 30 A N S S- 0 0 69 57,-0.2 2,-0.4 56,-0.1 57,-0.1 -0.873 84.0-116.5-125.3 146.4 27.6 5.4 18.2 31 31 A T - 0 0 0 43,-0.4 45,-1.6 -2,-0.3 2,-0.4 -0.714 34.4-175.6 -79.8 128.8 29.9 3.3 16.1 32 32 A V E -gH 76 84B 2 52,-1.6 52,-3.0 -2,-0.4 2,-0.3 -1.000 3.3-165.3-130.6 127.6 30.4 -0.2 17.8 33 33 A L E -g 77 0B 1 43,-3.4 45,-2.4 -2,-0.4 47,-0.2 -0.843 25.9-102.5-116.7 149.1 32.8 -2.9 16.4 34 34 A E - 0 0 72 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.209 66.8 -57.3 -59.0 157.5 33.1 -6.5 17.1 35 35 A E S S+ 0 0 115 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.065 79.7 135.5 -39.0 123.7 35.9 -7.7 19.3 36 36 A M - 0 0 18 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.971 53.7 -96.4-166.5 164.8 39.3 -6.7 18.0 37 37 A N + 0 0 152 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.774 37.9 175.3 -94.0 129.1 42.7 -5.2 19.1 38 38 A L - 0 0 21 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.967 29.1-113.6-126.4 150.1 43.2 -1.5 18.8 39 39 A P + 0 0 106 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.445 69.5 34.1 -81.4 157.2 46.3 0.4 20.0 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.290 95.7 -36.6 102.3-177.8 46.3 3.0 22.7 41 41 A K - 0 0 94 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.415 56.0-173.0 -78.1 148.1 44.5 3.6 26.0 42 42 A W E -I 59 0B 124 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.955 13.7-140.7-135.4 163.5 40.8 2.6 26.3 43 43 A K E -I 58 0B 35 15,-1.8 15,-3.2 -2,-0.3 2,-0.3 -0.959 24.5-113.3-123.7 138.6 38.2 3.1 28.9 44 44 A P E +I 57 0B 96 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.572 47.5 162.9 -67.8 129.5 35.4 0.6 30.0 45 45 A K E -I 56 0B 112 11,-2.9 11,-2.6 -2,-0.3 2,-0.3 -0.819 29.6-132.1-138.3 175.8 32.0 1.9 29.1 46 46 A M E -I 55 0B 127 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.971 18.1-173.9-130.9 147.3 28.5 0.5 28.7 47 47 A I E -I 54 0B 27 7,-2.2 7,-2.7 -2,-0.3 2,-0.3 -0.995 13.6-140.0-143.6 147.1 26.0 0.9 25.9 48 48 A G E +I 53 0B 36 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.788 22.9 166.4-110.2 142.1 22.4 -0.1 25.4 49 49 A G E > -I 52 0B 28 3,-2.9 3,-0.9 -2,-0.3 102,-0.1 -0.545 58.7 -60.4-130.8-156.4 20.6 -1.5 22.3 50 50 A I T 3 S+ 0 0 34 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.817 132.8 40.3 -66.2 -32.1 17.4 -3.2 21.6 51 51 A G T 3 S- 0 0 24 99,-2.4 2,-0.3 1,-0.3 100,-0.3 0.379 122.5 -84.0 -98.3 0.0 18.1 -6.2 23.8 52 52 A G E < -I 49 0B 28 -3,-0.9 -3,-2.9 98,-0.6 -1,-0.3 -0.899 65.1 -32.4 131.0-161.3 19.7 -4.4 26.8 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.682 45.4-170.0-102.8 149.2 23.1 -3.2 27.8 54 54 A I E -I 47 0B 20 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.4 -0.933 26.5-111.5-129.9 162.5 26.6 -4.5 27.0 55 55 A K E +I 46 0B 166 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.747 40.9 177.0 -90.9 135.4 30.1 -3.7 28.2 56 56 A V E -I 45 0B 6 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.5 -0.934 30.4-124.1-136.9 159.1 32.4 -2.1 25.6 57 57 A R E -IJ 44 77B 44 20,-2.2 20,-1.6 -2,-0.3 2,-0.7 -0.929 26.2-144.7-105.0 124.3 35.9 -0.7 25.4 58 58 A Q E -IJ 43 76B 50 -15,-3.2 -15,-1.8 -2,-0.5 2,-0.5 -0.834 15.8-173.9 -96.0 118.3 36.1 2.9 24.3 59 59 A Y E -IJ 42 75B 8 16,-2.9 16,-2.8 -2,-0.7 3,-0.3 -0.956 16.8-141.1-108.3 128.3 39.0 3.9 22.1 60 60 A D E + 0 0 96 -19,-0.5 14,-0.2 -2,-0.5 13,-0.1 -0.492 68.3 6.4 -90.4 154.2 39.4 7.6 21.2 61 61 A Q E S+ 0 0 140 1,-0.2 13,-0.2 -2,-0.2 -1,-0.2 0.890 76.0 164.7 44.9 63.6 40.4 9.2 18.0 62 62 A I E - J 0 73B 15 11,-3.9 11,-2.1 -3,-0.3 2,-0.4 -0.928 32.1-132.2-108.1 126.3 40.6 6.1 15.8 63 63 A P E + J 0 72B 82 0, 0.0 2,-0.4 0, 0.0 -47,-0.3 -0.668 25.6 179.6 -79.2 135.4 40.8 6.6 12.0 64 64 A V E - J 0 71B 4 7,-2.9 7,-1.9 -2,-0.4 2,-0.6 -0.999 20.1-145.6-129.1 136.7 38.4 4.5 9.9 65 65 A E E -EJ 14 70B 60 -51,-2.5 -51,-2.1 -2,-0.4 2,-0.6 -0.913 16.9-170.8-102.7 119.8 38.2 4.6 6.1 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-1.7 -2,-0.6 -53,-0.2 -0.930 70.4 -31.8-118.5 99.7 34.6 4.0 5.0 67 67 A C T 3 S- 0 0 56 -55,-1.3 -1,-0.2 -2,-0.6 3,-0.1 0.906 127.0 -43.2 56.4 46.4 34.3 3.6 1.2 68 68 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.307 116.8 116.9 84.5 -8.2 37.2 5.9 0.4 69 69 A H E < - J 0 66B 66 -3,-1.7 -3,-3.1 1,-0.0 2,-0.3 -0.805 60.6-130.9-104.0 133.1 36.0 8.5 3.0 70 70 A K E + J 0 65B 172 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.593 27.6 171.5 -86.0 135.3 38.1 9.3 6.0 71 71 A A E - J 0 64B 2 -7,-1.9 -7,-2.9 -2,-0.3 2,-0.4 -0.985 10.1-174.4-134.8 146.9 36.8 9.4 9.6 72 72 A I E + J 0 63B 86 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.961 36.2 102.4-138.5 121.3 38.6 9.8 12.9 73 73 A G E - 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