==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-JAN-98 2BPV . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.MUNSHI,Z.CHEN . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 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 . 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 . 26 13.1 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 2 3 0 0 3 1 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 91 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 175.2 30.2 39.4 4.7 2 2 A Q E -A 198 0A 134 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.966 360.0-162.2-112.1 124.4 30.0 36.8 1.9 3 3 A I E -A 197 0A 34 194,-3.2 194,-2.6 -2,-0.5 2,-0.2 -0.934 4.4-150.1-112.7 123.3 29.0 33.3 2.9 4 4 A T E -A 196 0A 64 -2,-0.5 3,-0.4 192,-0.2 192,-0.1 -0.510 14.2-133.5 -85.9 160.6 29.6 30.3 0.7 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.070 77.0 104.8-103.8 22.6 27.4 27.2 0.7 6 6 A W S S+ 0 0 180 184,-0.1 2,-0.2 185,-0.1 -1,-0.2 0.866 95.9 23.7 -65.0 -36.4 30.1 24.5 0.8 7 7 A Q S S- 0 0 137 -3,-0.4 0, 0.0 1,-0.0 0, 0.0 -0.718 111.7 -73.4-120.1 170.0 29.1 24.1 4.5 8 8 A R - 0 0 112 -2,-0.2 2,-2.3 1,-0.1 119,-0.1 -0.484 48.9-116.8 -65.3 134.5 25.8 25.0 6.2 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.432 51.3 166.3 -76.0 73.8 25.4 28.8 6.6 10 10 A L E +D 23 0B 66 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.731 7.6 174.7 -92.5 137.6 25.5 28.8 10.5 11 11 A V E -D 22 0B 15 11,-2.8 11,-3.0 -2,-0.4 2,-0.4 -0.889 34.2-102.2-136.6 163.6 25.9 32.1 12.3 12 12 A T E -D 21 0B 87 -2,-0.3 55,-1.4 9,-0.2 2,-0.3 -0.762 37.9-175.8 -91.2 132.9 25.9 33.3 15.9 13 13 A I E -DE 20 66B 1 7,-3.0 7,-3.1 -2,-0.4 2,-0.5 -0.888 16.5-144.5-124.0 154.7 22.7 35.1 17.1 14 14 A K E +DE 19 65B 50 51,-1.4 51,-2.0 -2,-0.3 2,-0.4 -0.995 25.7 164.7-122.7 125.2 22.0 36.7 20.4 15 15 A I E > S-D 18 0B 1 3,-2.8 3,-1.6 -2,-0.5 49,-0.1 -0.971 70.1 -5.9-144.4 121.7 18.5 36.6 21.8 16 16 A G T 3 S- 0 0 59 47,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.854 128.2 -58.8 64.4 33.6 17.4 37.3 25.3 17 17 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.168 114.9 119.0 81.8 -18.9 21.1 37.7 26.3 18 18 A Q E < -D 15 0B 89 -3,-1.6 -3,-2.8 1,-0.0 2,-0.5 -0.601 59.7-139.9 -84.6 137.0 21.7 34.1 25.1 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.823 31.2 171.6 -94.6 131.1 24.1 33.4 22.3 20 20 A K E -D 13 0B 47 -7,-3.1 -7,-3.0 -2,-0.5 2,-0.5 -0.903 33.2-119.8-136.7 163.8 22.9 30.7 20.0 21 21 A E E +D 12 0B 126 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.916 38.1 178.0-105.8 131.6 23.9 29.2 16.6 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.8 -2,-0.5 2,-0.4 -0.950 28.0-117.6-137.6 159.4 21.4 29.5 13.8 23 23 A L E -Df 10 84B 6 60,-2.5 62,-2.9 -2,-0.3 2,-1.0 -0.798 19.9-134.4 -97.6 129.6 21.0 28.7 10.2 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.761 35.0-175.1 -83.6 105.2 20.5 31.4 7.5 25 25 A D > - 0 0 16 60,-2.2 3,-1.1 -2,-1.0 62,-0.3 -0.845 27.9-179.4-116.5 106.6 17.7 29.9 5.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.684 87.1 59.9 -71.3 -19.7 16.3 31.4 2.4 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.654 87.9 88.6 -82.5 -16.4 13.7 28.6 2.0 28 28 A A < - 0 0 19 -3,-1.1 59,-3.2 57,-0.2 60,-0.2 -0.737 55.7-167.0 -87.8 123.4 12.1 29.4 5.4 29 29 A D S S+ 0 0 48 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.893 77.0 36.4 -71.9 -36.4 9.3 32.0 5.4 30 30 A D S S- 0 0 62 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.566 82.3-113.6-114.3 172.6 9.6 32.2 9.2 31 31 A T - 0 0 0 43,-0.4 45,-2.8 54,-0.2 2,-0.4 -0.934 34.0-175.0-107.8 122.5 12.1 32.1 12.0 32 32 A V E -gH 76 84B 9 52,-1.2 52,-3.4 -2,-0.5 2,-0.3 -0.987 1.3-170.9-124.6 129.3 11.8 29.1 14.3 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.6 -2,-0.4 47,-0.2 -0.867 30.7 -97.4-120.6 153.3 13.9 28.5 17.4 34 34 A E E -g 78 0B 75 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.289 69.2 -60.3 -64.1 149.4 14.3 25.5 19.7 35 35 A E S S+ 0 0 118 43,-0.8 2,-0.3 45,-0.2 -1,-0.2 0.001 78.7 139.6 -34.2 122.2 12.2 25.5 22.9 36 36 A M - 0 0 18 -3,-0.2 2,-0.6 2,-0.0 -3,-0.1 -0.973 53.3 -95.4-162.7 164.0 13.0 28.5 25.1 37 37 A S + 0 0 107 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.802 38.8 175.5 -95.1 120.1 11.4 31.1 27.3 38 38 A L - 0 0 15 -2,-0.6 2,-0.2 2,-0.1 -2,-0.0 -0.925 31.4-113.2-119.7 145.2 10.6 34.5 25.7 39 39 A P S S+ 0 0 106 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.502 72.3 36.9 -78.7 150.3 8.7 37.3 27.5 40 40 A G S S- 0 0 42 -2,-0.2 2,-0.3 19,-0.1 -2,-0.1 -0.509 94.0 -43.4 108.7-178.3 5.3 38.4 26.5 41 41 A R - 0 0 213 -2,-0.2 19,-0.5 19,-0.1 2,-0.3 -0.638 54.0-164.8 -89.3 150.4 2.1 36.8 25.1 42 42 A W - 0 0 112 -2,-0.3 17,-0.2 17,-0.1 15,-0.0 -0.881 11.2-140.1-132.9 163.8 2.2 34.2 22.4 43 43 A K E -I 58 0B 72 15,-1.5 15,-3.5 -2,-0.3 2,-0.2 -0.961 25.7-113.0-126.1 141.7 -0.2 32.6 20.0 44 44 A P E +I 57 0B 92 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.559 42.1 174.1 -72.5 139.4 -0.4 28.9 18.9 45 45 A K E -I 56 0B 79 11,-2.2 11,-2.7 -2,-0.2 2,-0.5 -0.953 26.4-139.9-143.1 157.3 0.6 28.4 15.3 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.990 22.8-178.0-123.0 119.5 1.0 25.3 13.1 47 47 A I E -I 54 0B 20 7,-2.4 7,-2.8 -2,-0.5 2,-0.3 -0.943 6.1-162.9-119.5 144.0 4.0 25.4 10.6 48 48 A G E +I 53 0B 38 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.894 22.6 132.0-130.8 159.7 4.9 22.7 8.2 49 49 A G E > -I 52 0B 24 3,-2.1 3,-1.8 -2,-0.3 2,-0.3 -0.671 65.6 -3.9-162.2-143.8 7.7 21.5 6.0 50 50 A I T 3 S+ 0 0 27 1,-0.3 101,-2.1 -2,-0.2 102,-0.8 -0.544 132.5 20.4 -67.2 123.0 9.5 18.3 5.1 51 51 A G T 3 S- 0 0 33 128,-0.4 -1,-0.3 -2,-0.3 2,-0.2 0.316 122.6 -83.6 99.8 -9.2 8.0 15.6 7.3 52 52 A G E < -I 49 0B 29 -3,-1.8 -3,-2.1 100,-0.1 99,-0.3 -0.712 66.9 -28.3 114.5-162.7 4.8 17.4 8.2 53 53 A F E -I 48 0B 149 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 -0.667 41.5-166.0-102.4 149.9 3.6 20.0 10.6 54 54 A I E -I 47 0B 21 -7,-2.8 -7,-2.4 -2,-0.3 2,-0.5 -0.934 24.0-119.3-129.7 151.8 4.7 21.1 14.1 55 55 A K E +I 46 0B 100 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.801 37.9 176.6 -94.0 131.1 3.0 23.2 16.7 56 56 A V E -I 45 0B 1 -11,-2.7 -11,-2.2 -2,-0.5 2,-0.5 -0.843 32.3-117.0-130.4 166.0 4.9 26.4 17.8 57 57 A R E -IJ 44 77B 39 20,-2.6 20,-2.4 -2,-0.3 2,-0.6 -0.930 30.2-141.2-105.8 124.1 4.4 29.4 20.0 58 58 A Q E -IJ 43 76B 43 -15,-3.5 -15,-1.5 -2,-0.5 2,-0.5 -0.800 18.8-175.9 -93.2 116.3 4.3 32.7 18.1 59 59 A Y E - J 0 75B 6 16,-2.6 16,-2.6 -2,-0.6 3,-0.3 -0.937 13.3-150.1-109.9 128.4 6.1 35.7 19.7 60 60 A D E + 0 0 70 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.607 66.4 14.9 -98.9 158.9 5.8 39.0 18.0 61 61 A Q E S+ 0 0 171 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.877 75.7 162.1 46.2 59.4 8.3 41.9 17.9 62 62 A I E - J 0 73B 21 11,-3.1 11,-2.1 -3,-0.3 2,-0.4 -0.835 34.1-131.7-105.2 138.3 11.3 40.1 19.3 63 63 A L E + J 0 72B 59 -2,-0.4 -47,-0.4 9,-0.2 2,-0.3 -0.803 27.5 178.8 -94.2 134.2 14.8 41.7 18.9 64 64 A I E - J 0 71B 0 7,-3.0 7,-2.1 -2,-0.4 2,-0.6 -0.978 22.5-142.2-133.8 144.1 17.6 39.5 17.6 65 65 A E E -EJ 14 70B 53 -51,-2.0 -51,-1.4 -2,-0.3 2,-0.7 -0.935 15.5-173.8-110.2 111.0 21.2 40.2 16.8 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-1.2 -2,-0.6 -53,-0.2 -0.905 78.7 -28.5-105.7 102.9 22.5 38.4 13.7 67 67 A C T 3 S- 0 0 61 -55,-1.4 2,-1.1 -2,-0.7 -1,-0.2 0.957 125.3 -48.7 54.6 53.7 26.2 39.1 13.5 68 68 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 -0.122 114.9 117.5 82.8 -41.1 25.9 42.5 15.2 69 69 A H E < - J 0 66B 83 -3,-1.2 -3,-2.8 -2,-1.1 2,-0.3 -0.399 60.3-140.1 -63.3 126.9 23.0 43.5 12.9 70 70 A K E + J 0 65B 142 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.665 24.3 177.0 -89.6 146.3 19.9 44.1 15.0 71 71 A A E - 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