==== 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 3LZU . 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) . 9527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 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 . 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 . 25 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 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 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 B P 0 0 92 0, 0.0 198,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 172.9 12.6 -38.9 2.1 2 2 B Q E -A 198 0A 125 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.841 360.0-161.1 -98.5 144.4 14.4 -37.1 -0.6 3 3 B I E -A 197 0A 37 194,-3.1 194,-2.8 -2,-0.4 2,-0.1 -0.990 6.7-149.5-134.0 120.0 12.3 -34.6 -2.5 4 4 B T - 0 0 82 -2,-0.4 3,-0.3 192,-0.2 192,-0.1 -0.391 18.9-127.7 -83.6 172.3 12.9 -33.1 -6.0 5 5 B L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.085 73.7 109.5-117.4 25.5 11.7 -29.6 -6.9 6 6 B W S S+ 0 0 183 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.777 91.5 30.2 -68.8 -27.3 9.8 -30.0 -10.1 7 7 B K S S- 0 0 66 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.854 111.6 -75.4-123.0 162.1 6.6 -29.3 -8.1 8 8 B R - 0 0 122 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.400 47.1-118.3 -58.4 134.3 6.1 -27.2 -5.0 9 9 B P + 0 0 6 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.473 49.3 169.8 -76.6 68.3 7.5 -29.1 -1.9 10 10 B L E +D 23 0B 49 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.694 7.6 179.4 -84.6 135.5 4.2 -29.3 -0.1 11 11 B V E -D 22 0B 10 11,-2.8 11,-2.2 -2,-0.4 2,-0.4 -0.885 31.2-108.5-131.4 160.3 3.9 -31.5 3.0 12 12 B T E -D 21 0B 81 -2,-0.3 55,-2.7 9,-0.2 2,-0.4 -0.733 36.0-168.8 -89.5 138.1 1.1 -32.4 5.4 13 13 B V E -DE 20 66B 1 7,-3.0 7,-2.8 -2,-0.4 2,-0.5 -0.975 14.1-151.8-129.4 142.7 1.5 -30.9 8.9 14 14 B K E +DE 19 65B 106 51,-2.5 51,-2.3 -2,-0.4 2,-0.4 -0.972 25.1 164.6-115.5 122.6 -0.4 -31.6 12.0 15 15 B I E > -DE 18 64B 3 3,-2.5 3,-2.2 -2,-0.5 49,-0.1 -0.976 67.4 -12.0-143.2 122.1 -0.6 -28.7 14.5 16 16 B G T 3 S- 0 0 68 47,-0.5 3,-0.1 -2,-0.4 21,-0.1 0.846 127.2 -56.0 59.6 36.8 -2.9 -28.3 17.4 17 17 B G T 3 S+ 0 0 61 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.429 115.9 116.1 74.1 3.0 -5.0 -31.3 16.2 18 18 B Q E < -D 15 0B 55 -3,-2.2 -3,-2.5 2,-0.0 2,-0.5 -0.774 59.3-138.1-103.8 151.0 -5.5 -29.6 12.8 19 19 B L E +D 14 0B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.924 31.1 161.8-112.4 126.8 -4.2 -30.8 9.5 20 20 B K E -D 13 0B 40 -7,-2.8 -7,-3.0 -2,-0.5 2,-0.4 -0.862 35.3-125.0-135.4 160.9 -2.8 -28.4 7.0 21 21 B E E +D 12 0B 106 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.924 34.2 177.9-105.7 142.9 -0.6 -28.4 3.9 22 22 B A E -D 11 0B 0 -11,-2.2 -11,-2.8 -2,-0.4 2,-0.5 -0.970 29.5-112.9-145.2 152.8 2.6 -26.2 4.0 23 23 B L E -Df 10 84B 9 60,-2.9 62,-3.3 -2,-0.3 2,-0.8 -0.778 23.8-129.3 -90.6 126.1 5.5 -25.5 1.8 24 24 B L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.5 62,-0.1 -0.703 38.6-172.7 -71.4 113.6 8.9 -26.6 2.9 25 25 B D > - 0 0 15 60,-2.6 3,-1.8 -2,-0.8 62,-0.3 -0.844 29.5-179.4-129.7 96.6 10.7 -23.2 2.3 26 26 B T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.682 87.2 61.8 -65.4 -19.5 14.4 -22.8 2.7 27 27 B G T 3 S+ 0 0 20 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.458 89.8 84.6 -84.9 -3.2 14.1 -19.1 1.9 28 28 B A < - 0 0 12 -3,-1.8 59,-3.1 57,-0.2 60,-0.1 -0.894 60.6-161.2-104.1 127.6 11.9 -18.6 5.0 29 29 B D S S+ 0 0 84 -2,-0.5 59,-1.8 57,-0.2 2,-0.3 0.883 78.0 22.1 -70.7 -39.8 13.6 -18.0 8.4 30 30 B D S S- 0 0 62 57,-0.2 2,-0.3 56,-0.2 57,-0.2 -0.837 86.1 -97.1-131.6 164.6 10.4 -18.9 10.3 31 31 B T E -g 75 0B 0 43,-0.7 45,-2.8 -2,-0.3 2,-0.4 -0.641 37.2-174.0 -81.9 135.1 7.2 -20.8 9.9 32 32 B V E -gH 76 84B 3 52,-2.0 52,-2.9 -2,-0.3 2,-0.3 -0.995 2.8-178.4-135.5 127.9 4.2 -18.8 9.0 33 33 B L E -g 77 0B 0 43,-2.8 45,-2.1 -2,-0.4 3,-0.1 -0.943 13.7-175.2-127.7 151.1 0.6 -20.1 8.8 34 34 B E S S+ 0 0 42 -2,-0.3 2,-0.9 43,-0.2 -1,-0.1 0.817 73.8 55.5-106.6 -47.5 -2.7 -18.5 7.8 35 35 B D S S+ 0 0 79 2,-0.0 2,-0.3 42,-0.0 -1,-0.1 -0.295 92.2 84.9 -98.5 47.4 -5.6 -20.9 8.3 36 36 B I - 0 0 14 -2,-0.9 2,-0.4 -3,-0.1 -20,-0.1 -0.953 55.6-150.3-150.8 169.6 -5.2 -21.7 11.9 37 37 B N - 0 0 112 -2,-0.3 -3,-0.0 -21,-0.1 -2,-0.0 -0.980 14.8-168.9-151.4 106.4 -5.9 -20.7 15.4 38 38 B L - 0 0 17 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.784 21.6-123.3-106.0 150.1 -3.6 -21.6 18.2 39 39 B P + 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -23,-0.0 -0.383 61.9 27.1 -89.0 170.9 -4.6 -21.0 21.8 40 40 B G S S- 0 0 61 -2,-0.1 -2,-0.1 19,-0.0 2,-0.0 -0.172 92.3 -15.6 85.1-170.1 -2.8 -19.0 24.4 41 41 B K + 0 0 96 19,-0.0 19,-0.3 18,-0.0 2,-0.3 -0.247 55.4 169.6 -77.0 157.9 -0.5 -16.0 24.6 42 42 B W - 0 0 112 17,-0.1 17,-0.2 -2,-0.0 15,-0.0 -0.962 25.5-125.2-159.0 167.0 1.4 -14.5 21.7 43 43 B K E -I 58 0B 42 15,-2.0 15,-3.0 -2,-0.3 2,-0.1 -0.941 29.2-110.0-122.8 145.3 3.5 -11.4 20.8 44 44 B P E +I 57 0B 111 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.477 44.0 163.4 -74.5 142.3 3.1 -9.0 17.9 45 45 B K E -I 56 0B 29 11,-1.8 11,-3.1 -2,-0.1 2,-0.4 -0.976 28.7-141.6-151.4 155.0 5.6 -9.1 15.2 46 46 B M E -I 55 0B 124 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.988 17.3-168.1-118.7 136.2 6.0 -7.9 11.6 47 47 B I E -I 54 0B 35 7,-2.1 7,-2.3 -2,-0.4 2,-0.4 -0.953 8.2-146.2-123.9 145.5 7.7 -9.9 8.9 48 48 B G E +I 53 0B 46 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.878 27.5 143.9-116.9 142.5 8.8 -8.8 5.4 49 49 B G E > -I 52 0B 21 3,-3.1 3,-1.6 -2,-0.4 2,-0.4 -0.631 64.0 -32.0-141.8-156.1 9.0 -10.6 2.1 50 50 B I T 3 S+ 0 0 23 1,-0.2 101,-0.7 -2,-0.2 99,-0.6 -0.595 132.4 29.1 -68.5 123.5 8.4 -9.8 -1.5 51 51 B G T 3 S- 0 0 29 -2,-0.4 2,-0.4 128,-0.3 102,-0.3 0.131 122.6 -89.1 110.3 -19.1 5.6 -7.1 -1.5 52 52 B G E < -I 49 0B 27 -3,-1.6 -3,-3.1 100,-0.2 99,-0.5 -0.927 68.6 -21.4 120.3-140.1 6.5 -5.7 1.9 53 53 B F E -I 48 0B 139 -2,-0.4 2,-0.3 98,-0.3 -5,-0.2 -0.733 37.2-163.1-118.3 153.3 5.4 -6.6 5.4 54 54 B I E -I 47 0B 17 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.4 -0.959 26.5-119.0-126.2 153.3 2.5 -8.4 7.2 55 55 B K E -I 46 0B 65 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.754 39.4-178.5 -86.5 134.8 1.5 -8.3 10.9 56 56 B V E -I 45 0B 8 -11,-3.1 -11,-1.8 -2,-0.4 2,-0.6 -0.909 31.2-122.4-133.2 158.1 1.7 -11.7 12.6 57 57 B R E -IJ 44 77B 117 20,-2.8 20,-2.5 -2,-0.3 2,-0.6 -0.912 29.3-144.4 -94.4 126.1 1.0 -13.2 15.9 58 58 B Q E -IJ 43 76B 61 -15,-3.0 -15,-2.0 -2,-0.6 2,-0.5 -0.875 17.1-173.4 -96.3 121.5 4.2 -14.9 17.2 59 59 B Y E - J 0 75B 7 16,-2.6 16,-2.8 -2,-0.6 3,-0.3 -0.951 11.4-149.8-113.3 126.1 3.5 -18.1 19.2 60 60 B D E + 0 0 97 -2,-0.5 14,-0.2 -19,-0.3 13,-0.0 -0.611 66.4 14.9 -97.8 158.8 6.4 -19.8 20.9 61 61 B Q E S+ 0 0 77 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.881 78.7 166.3 51.5 52.2 7.1 -23.4 21.7 62 62 B I E - J 0 73B 25 11,-2.8 11,-2.0 -3,-0.3 2,-0.4 -0.839 32.8-131.1 -99.9 134.1 4.5 -24.8 19.4 63 63 B L E + J 0 72B 89 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.678 29.6 174.9 -85.7 129.3 4.5 -28.5 18.5 64 64 B I E -EJ 15 71B 0 7,-2.9 7,-2.1 -2,-0.4 2,-0.5 -0.980 22.1-152.5-130.2 145.7 4.2 -29.3 14.8 65 65 B E E -EJ 14 70B 59 -51,-2.3 -51,-2.5 -2,-0.4 2,-0.5 -0.979 16.8-169.6-118.5 115.4 4.4 -32.7 13.1 66 66 B I E > S-EJ 13 69B 0 3,-2.8 3,-1.7 -2,-0.5 -53,-0.2 -0.936 74.4 -20.3-116.1 117.6 5.7 -32.3 9.5 67 67 B C T 3 S- 0 0 68 -55,-2.7 -1,-0.2 -2,-0.5 -54,-0.1 0.859 131.0 -51.4 45.9 40.1 5.4 -35.3 7.3 68 68 B G T 3 S+ 0 0 52 -56,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.562 115.2 110.2 80.6 9.6 5.2 -37.3 10.6 69 69 B K E < - J 0 66B 95 -3,-1.7 -3,-2.8 2,-0.0 2,-0.2 -0.964 63.3-124.6-116.8 140.0 8.3 -35.9 12.4 70 70 B K E + J 0 65B 135 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.535 30.0 168.2 -91.1 145.2 8.0 -33.7 15.4 71 71 B A E - 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