==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ASPARTIC PROTEASE) 18-JUL-95 1PRO . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.H.PARK,X.P.KONG,C.G.DEALWIS . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 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 . 22 11.1 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 4 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 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 81 0, 0.0 198,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 173.2 -12.9 39.4 29.8 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.857 360.0-163.5-100.3 131.2 -14.6 37.7 26.8 3 3 A I E -A 197 0A 35 194,-2.8 194,-2.7 -2,-0.4 2,-0.2 -0.990 4.3-154.0-120.1 120.0 -12.4 35.0 25.1 4 4 A T - 0 0 71 -2,-0.5 3,-0.4 192,-0.2 192,-0.1 -0.555 19.7-126.8 -87.6 165.7 -13.2 33.8 21.6 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.119 76.8 107.8-111.2 24.1 -12.0 30.4 20.7 6 6 A W S S+ 0 0 180 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.796 91.5 32.7 -69.9 -29.7 -10.1 30.7 17.5 7 7 A Q S S- 0 0 166 -3,-0.4 0, 0.0 1,-0.0 0, 0.0 -0.834 111.7 -77.7-115.2 164.3 -6.9 30.1 19.6 8 8 A R - 0 0 106 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.396 49.0-116.0 -55.6 134.3 -6.5 27.9 22.7 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.469 50.6 171.2 -73.7 75.8 -8.0 29.8 25.8 10 10 A L E -D 23 0B 85 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.789 9.0-179.0 -95.7 142.8 -4.6 30.2 27.7 11 11 A V E -D 22 0B 13 11,-2.6 11,-2.5 -2,-0.4 2,-0.4 -0.891 29.9-109.8-134.5 151.2 -4.3 32.3 30.8 12 12 A T E -D 21 0B 85 -2,-0.3 55,-2.8 9,-0.2 2,-0.3 -0.719 37.8-175.6 -81.1 133.5 -1.5 33.3 33.3 13 13 A I E -DE 20 66B 1 7,-2.8 7,-2.4 -2,-0.4 2,-0.4 -0.914 19.2-150.1-126.4 154.9 -1.8 31.7 36.7 14 14 A K E +DE 19 65B 105 51,-2.0 51,-2.7 -2,-0.3 2,-0.3 -0.990 26.2 163.7-124.3 125.2 0.3 32.1 39.9 15 15 A I E > -DE 18 64B 2 3,-2.2 3,-2.1 -2,-0.4 49,-0.1 -0.944 67.1 -7.2-144.4 130.5 0.4 29.0 42.2 16 16 A G T 3 S- 0 0 48 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.866 128.1 -55.5 51.4 38.9 2.9 28.4 45.0 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.353 115.9 110.8 78.5 -2.8 5.0 31.4 44.1 18 18 A Q E < -D 15 0B 63 -3,-2.1 -3,-2.2 0, 0.0 2,-0.5 -0.779 62.2-134.2-109.5 148.5 5.5 30.2 40.5 19 19 A L E +D 14 0B 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.849 34.1 159.7-102.9 130.3 4.1 31.7 37.2 20 20 A K E -D 13 0B 39 -7,-2.4 -7,-2.8 -2,-0.5 2,-0.4 -0.889 36.0-123.4-141.9 164.1 2.5 29.3 34.7 21 21 A E E -D 12 0B 119 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.940 32.5-173.9-111.1 143.1 0.1 29.4 31.7 22 22 A A E -D 11 0B 1 -11,-2.5 -11,-2.6 -2,-0.4 2,-0.4 -0.959 25.2-114.2-138.0 153.0 -2.9 27.2 31.8 23 23 A L E -Df 10 84B 5 60,-2.7 62,-2.8 -2,-0.3 2,-0.9 -0.709 24.3-131.6 -83.3 131.3 -5.8 26.2 29.5 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.4 62,-0.1 -0.757 36.2-172.3 -81.8 113.4 -9.3 27.3 30.5 25 25 A D > + 0 0 15 60,-2.4 3,-1.5 -2,-0.9 62,-0.3 -0.793 28.9 179.1-120.8 103.4 -11.1 24.0 30.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.689 85.4 60.4 -71.4 -18.2 -14.8 23.5 30.3 27 27 A G T 3 S+ 0 0 16 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.447 89.4 86.1 -84.4 -3.8 -14.6 19.8 29.5 28 28 A A < - 0 0 18 -3,-1.5 59,-3.0 57,-0.2 60,-0.1 -0.879 58.2-164.3-100.8 122.5 -12.5 19.1 32.6 29 29 A D S S+ 0 0 54 -2,-0.5 59,-1.7 57,-0.2 2,-0.2 0.893 77.2 36.4 -67.7 -33.3 -14.2 18.5 35.9 30 30 A D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.579 82.5-111.6-120.8 166.2 -10.9 19.1 37.8 31 31 A T - 0 0 0 43,-0.4 45,-2.3 54,-0.2 2,-0.4 -0.906 36.7-178.7 -96.8 128.1 -7.8 21.3 37.7 32 32 A V E -gH 76 84B 4 52,-1.4 52,-3.0 -2,-0.5 2,-0.3 -0.989 2.4-172.5-134.4 128.4 -4.7 19.2 36.8 33 33 A L E -g 77 0B 0 43,-2.8 45,-2.5 -2,-0.4 47,-0.2 -0.881 30.0 -99.6-122.3 151.5 -1.2 20.7 36.5 34 34 A E - 0 0 71 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.094 66.1 -62.7 -61.1 163.6 2.1 19.3 35.4 35 35 A E S S+ 0 0 112 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.264 73.9 156.8 -56.7 128.5 4.5 18.1 38.0 36 36 A M - 0 0 15 -3,-0.2 2,-0.2 2,-0.0 -3,-0.0 -0.972 51.2 -90.9-152.1 162.2 5.6 21.0 40.2 37 37 A N + 0 0 131 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.558 54.1 166.6 -69.7 128.3 6.9 21.8 43.5 38 38 A L - 0 0 13 -2,-0.2 2,-0.3 2,-0.1 -2,-0.0 -0.929 32.6-119.5-150.6 135.4 3.9 22.3 45.8 39 39 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 -0.565 62.4 18.0 -78.8 135.4 3.8 22.5 49.6 40 40 A G S S- 0 0 61 -2,-0.3 2,-0.2 19,-0.1 -2,-0.1 -0.735 85.2 -28.7 127.0-167.4 1.9 20.0 51.7 41 41 A R - 0 0 221 -2,-0.3 19,-0.3 19,-0.1 2,-0.3 -0.610 50.8-176.5 -90.0 160.5 0.1 16.8 52.1 42 42 A W - 0 0 102 -2,-0.2 17,-0.2 17,-0.1 34,-0.0 -0.974 21.9-136.4-156.7 157.6 -1.6 15.0 49.2 43 43 A K E -I 58 0B 82 15,-1.7 15,-3.1 -2,-0.3 2,-0.2 -0.956 30.5-117.7-113.6 132.9 -3.7 12.0 48.5 44 44 A P E +I 57 0B 103 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.534 44.4 164.8 -63.9 141.0 -3.0 9.8 45.4 45 45 A K E -I 56 0B 76 11,-2.4 11,-2.8 -2,-0.2 2,-0.4 -0.906 28.1-134.7-148.2 168.5 -5.9 9.7 43.0 46 46 A M E -I 55 0B 113 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.989 13.8-162.6-130.9 140.4 -6.4 8.7 39.3 47 47 A I E -I 54 0B 25 7,-2.3 7,-2.3 -2,-0.4 2,-0.4 -0.949 13.8-134.4-120.0 150.6 -8.2 10.6 36.6 48 48 A G E +I 53 0B 47 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.831 30.4 164.5-105.4 136.6 -9.5 9.3 33.3 49 49 A G E > -I 52 0B 19 3,-3.1 3,-0.8 -2,-0.4 100,-0.1 -0.709 54.0 -68.0-133.5-168.0 -8.9 11.2 30.0 50 50 A I T 3 S+ 0 0 27 1,-0.2 101,-0.1 -2,-0.2 103,-0.1 0.891 129.8 33.6 -60.8 -42.4 -9.1 10.5 26.4 51 51 A G T 3 S- 0 0 26 99,-1.8 2,-0.3 101,-0.4 -1,-0.2 0.478 126.2 -77.7 -94.0 1.4 -6.2 8.0 26.1 52 52 A G E < -I 49 0B 25 -3,-0.8 -3,-3.1 98,-0.8 2,-0.3 -0.985 65.8 -33.9 143.1-152.7 -6.6 6.4 29.5 53 53 A F E -I 48 0B 154 -2,-0.3 2,-0.4 98,-0.3 -5,-0.2 -0.766 39.0-165.9-113.1 147.9 -5.9 7.0 33.2 54 54 A I E -I 47 0B 19 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.5 -0.977 22.1-125.5-129.8 151.2 -3.1 8.9 35.0 55 55 A K E +I 46 0B 165 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.801 36.9 176.1 -91.9 133.4 -2.2 8.8 38.7 56 56 A V E -I 45 0B 6 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.5 -0.821 32.2-115.9-130.2 168.9 -2.1 12.3 40.2 57 57 A R E -IJ 44 77B 87 20,-2.7 20,-2.4 -2,-0.3 2,-0.5 -0.934 28.3-142.6-106.3 129.5 -1.5 13.8 43.7 58 58 A Q E -IJ 43 76B 37 -15,-3.1 -15,-1.7 -2,-0.5 2,-0.4 -0.839 16.6-172.3 -95.9 126.1 -4.5 15.6 45.1 59 59 A Y E - J 0 75B 6 16,-3.0 16,-2.4 -2,-0.5 3,-0.3 -0.973 12.1-149.5-118.2 128.7 -3.8 18.8 47.1 60 60 A D E + 0 0 82 -2,-0.4 14,-0.2 -19,-0.3 -19,-0.1 -0.698 67.9 14.2-101.9 156.7 -6.6 20.5 48.9 61 61 A Q E S+ 0 0 150 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.814 78.5 163.8 52.9 46.5 -7.2 24.1 49.7 62 62 A I E - J 0 73B 23 11,-2.8 11,-1.9 -3,-0.3 2,-0.4 -0.764 34.9-129.4 -94.4 133.1 -4.5 25.5 47.3 63 63 A L E + J 0 72B 87 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.685 29.5 177.5 -83.3 132.7 -4.5 29.2 46.4 64 64 A I E -EJ 15 71B 0 7,-2.7 7,-2.1 -2,-0.4 2,-0.6 -0.997 22.0-150.5-137.0 133.8 -4.3 29.9 42.8 65 65 A E E -EJ 14 70B 59 -51,-2.7 -51,-2.0 -2,-0.4 2,-0.6 -0.948 17.3-169.9-102.9 121.8 -4.5 33.3 41.1 66 66 A I E > S-EJ 13 69B 0 3,-3.3 3,-1.2 -2,-0.6 -53,-0.2 -0.954 73.2 -25.8-121.0 111.4 -6.0 32.9 37.6 67 67 A C T 3 S- 0 0 58 -55,-2.8 -1,-0.2 -2,-0.6 -54,-0.1 0.931 128.6 -48.2 48.3 48.7 -5.7 36.1 35.4 68 68 A G T 3 S+ 0 0 65 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.694 116.6 114.5 70.4 15.9 -5.6 38.2 38.7 69 69 A H E < - J 0 66B 69 -3,-1.2 -3,-3.3 2,-0.0 2,-0.3 -0.984 60.5-138.6-115.1 128.0 -8.6 36.5 40.3 70 70 A K E + J 0 65B 138 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.644 27.7 167.5 -89.5 143.6 -7.9 34.5 43.5 71 71 A A E - J 0 64B 5 -7,-2.1 -7,-2.7 -2,-0.3 2,-0.4 -0.963 21.5-150.8-145.7 156.2 -9.5 31.1 44.0 72 72 A I E + J 0 63B 66 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.997 41.0 109.8-134.4 131.2 -8.9 28.3 46.5 73 73 A G E - J 0 62B 13 -11,-1.9 -11,-2.8 -2,-0.4 2,-0.3 -0.933 64.4 -42.9-172.5-170.6 -9.6 24.7 45.7 74 74 A T E - 0 0 43 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.4 -0.632 46.1-170.8 -79.7 132.4 -8.4 21.2 44.9 75 75 A V E - J 0 59B 0 -16,-2.4 -16,-3.0 -2,-0.3 2,-0.4 -0.989 9.7-153.3-125.5 134.2 -5.5 20.9 42.5 76 76 A L E -gJ 32 58B 0 -45,-2.3 -43,-2.8 -2,-0.4 2,-0.4 -0.906 11.1-162.7-105.8 134.2 -4.3 17.6 41.1 77 77 A V E +gJ 33 57B 0 -20,-2.4 -20,-2.7 -2,-0.4 -43,-0.2 -0.974 35.2 98.6-119.3 135.6 -0.6 17.5 40.1 78 78 A G S S- 0 0 1 -45,-2.5 2,-2.0 -2,-0.4 -43,-0.4 -0.977 78.1 -33.4 175.9-163.8 0.8 14.8 37.8 79 79 A P S S+ 0 0 85 0, 0.0 72,-0.4 0, 0.0 -45,-0.1 -0.335 70.3 143.3 -82.0 57.9 1.8 13.8 34.2 80 80 A T - 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