==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ACID PROTEINASE) 18-NOV-94 1HPV . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR E.E.KIM . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 68.2 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 . 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 . 28 14.1 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 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 0 5 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 80 0, 0.0 198,-1.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 164.6 12.9 39.4 6.6 2 2 A Q E -A 198 0A 124 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.881 360.0-164.4-100.5 122.7 14.5 38.0 9.7 3 3 A I E -A 197 0A 34 194,-3.0 194,-2.6 -2,-0.6 2,-0.2 -0.927 5.1-156.5-112.4 116.5 12.5 35.3 11.4 4 4 A T E -A 196 0A 73 -2,-0.6 3,-0.5 192,-0.2 192,-0.1 -0.596 20.8-127.7 -82.0 154.8 13.3 34.2 14.9 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 -2,-0.2 185,-0.1 0.076 76.2 106.4-100.7 28.8 12.1 30.7 15.8 6 6 A W S S+ 0 0 169 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.726 90.6 34.8 -74.6 -20.7 10.0 31.0 19.0 7 7 A Q S S- 0 0 155 -3,-0.5 0, 0.0 3,-0.0 0, 0.0 -0.882 110.8 -80.0-127.4 157.9 7.0 30.4 16.9 8 8 A R - 0 0 105 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.373 49.4-116.7 -55.9 134.3 6.5 28.2 13.9 9 9 A P + 0 0 3 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.556 49.1 170.9 -80.2 85.7 7.9 30.1 10.9 10 10 A L E -D 23 0B 79 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.793 9.9-176.6-100.3 139.1 4.7 30.4 8.8 11 11 A V E -D 22 0B 11 11,-3.0 11,-2.9 -2,-0.4 2,-0.5 -0.912 29.5-109.4-131.9 157.4 4.3 32.5 5.7 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.745 37.7-175.0 -86.5 127.5 1.6 33.4 3.3 13 13 A I E -DE 20 66B 0 7,-2.6 7,-2.6 -2,-0.5 2,-0.5 -0.889 18.2-146.8-122.7 150.8 1.9 31.8 -0.1 14 14 A K E +DE 19 65B 91 51,-1.9 51,-1.7 -2,-0.3 2,-0.4 -0.986 28.4 162.4-120.2 118.2 -0.2 32.3 -3.3 15 15 A I E > -DE 18 64B 1 3,-2.7 3,-2.2 -2,-0.5 49,-0.1 -0.991 64.4 -6.6-139.2 134.0 -0.5 29.2 -5.5 16 16 A G T 3 S- 0 0 49 47,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.825 128.2 -56.7 52.9 33.2 -3.0 28.4 -8.2 17 17 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.444 117.4 111.3 80.2 0.7 -4.9 31.6 -7.5 18 18 A Q E < -D 15 0B 77 -3,-2.2 -3,-2.7 0, 0.0 2,-0.4 -0.798 62.9-134.2-109.2 152.1 -5.3 30.5 -3.9 19 19 A L E +D 14 0B 124 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.867 33.9 161.5-105.3 132.2 -3.9 31.9 -0.7 20 20 A K E -D 13 0B 42 -7,-2.6 -7,-2.6 -2,-0.4 2,-0.4 -0.854 35.9-120.2-139.7 168.7 -2.5 29.4 1.9 21 21 A E E -D 12 0B 120 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.953 33.0-174.5-110.9 142.9 -0.1 29.5 4.8 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-3.0 -2,-0.4 2,-0.3 -0.951 23.4-120.1-138.1 155.8 3.0 27.4 4.7 23 23 A L E -Df 10 84B 3 60,-2.9 62,-3.0 -2,-0.3 2,-0.9 -0.746 23.9-127.1 -95.2 138.8 5.9 26.5 7.0 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.3 62,-0.1 -0.817 34.7-171.4 -85.3 113.4 9.4 27.3 6.1 25 25 A D > + 0 0 14 60,-2.5 3,-1.2 -2,-0.9 62,-0.3 -0.854 26.5 176.6-118.0 104.4 11.1 24.0 6.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.701 86.2 60.8 -74.4 -17.7 14.9 23.7 6.2 27 27 A G T 3 S+ 0 0 16 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.494 90.2 83.3 -86.5 -3.0 14.6 20.0 7.1 28 28 A A < - 0 0 16 -3,-1.2 59,-3.0 57,-0.2 60,-0.2 -0.898 59.6-163.1-104.3 125.6 12.5 19.3 4.0 29 29 A D S S+ 0 0 58 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.865 77.3 32.2 -72.9 -35.9 14.3 18.7 0.6 30 30 A D S S- 0 0 52 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.757 87.0-102.7-120.6 166.5 11.0 19.3 -1.3 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.4 -2,-0.2 2,-0.5 -0.758 35.6-173.4 -90.2 124.9 7.9 21.4 -1.1 32 32 A V E -gH 76 84B 5 52,-1.7 52,-2.8 -2,-0.5 2,-0.4 -0.975 1.6-173.3-125.4 119.6 4.8 19.4 0.0 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.7 -2,-0.5 47,-0.3 -0.864 31.5-101.1-114.7 147.0 1.4 21.0 0.0 34 34 A E - 0 0 69 -2,-0.4 2,-0.1 43,-0.2 -1,-0.1 -0.137 64.2 -70.4 -53.8 158.3 -1.9 19.6 1.4 35 35 A E S S+ 0 0 123 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.348 74.2 153.7 -60.9 123.9 -4.2 18.2 -1.3 36 36 A M - 0 0 10 -3,-0.2 2,-0.4 -2,-0.1 -3,-0.0 -0.981 51.0 -79.0-149.4 163.8 -5.5 21.1 -3.5 37 37 A S + 0 0 100 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.500 54.5 164.2 -68.3 116.1 -6.9 22.0 -6.9 38 38 A L - 0 0 19 -2,-0.4 2,-0.2 2,-0.1 -2,-0.0 -0.980 30.1-133.2-141.7 122.3 -4.0 22.4 -9.3 39 39 A P + 0 0 105 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.491 61.3 47.9 -75.2 141.3 -4.2 22.4 -13.1 40 40 A G S S- 0 0 59 -2,-0.2 2,-0.3 19,-0.0 -2,-0.1 -0.655 87.4 -56.3 124.0 175.3 -1.8 20.3 -15.2 41 41 A R - 0 0 141 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.681 51.0-168.8 -91.5 149.1 -0.4 16.9 -15.6 42 42 A W - 0 0 116 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.914 17.0-130.4-135.7 163.0 1.4 15.3 -12.6 43 43 A K E -I 58 0B 94 15,-1.9 15,-3.4 -2,-0.3 2,-0.1 -0.886 29.0-114.3-113.8 141.5 3.6 12.3 -12.0 44 44 A P E +I 57 0B 105 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.484 45.6 161.7 -72.8 152.5 3.0 9.9 -9.1 45 45 A K E -I 56 0B 71 11,-1.8 11,-3.7 -2,-0.1 2,-0.4 -0.972 29.8-133.3-163.6 157.4 5.7 9.9 -6.4 46 46 A M E -I 55 0B 125 -2,-0.3 2,-0.4 9,-0.3 9,-0.3 -0.973 15.2-154.3-124.8 140.8 6.2 8.8 -2.8 47 47 A I E -I 54 0B 27 7,-3.1 7,-2.3 -2,-0.4 2,-0.6 -0.879 7.6-141.9-114.8 144.6 7.8 10.7 -0.0 48 48 A G E +I 53 0B 48 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.924 31.4 158.8-109.5 122.2 9.6 9.5 3.1 49 49 A G - 0 0 20 3,-3.1 102,-0.1 -2,-0.6 100,-0.0 -0.378 56.9 -70.1-119.4-156.2 9.0 11.4 6.3 50 50 A I S S+ 0 0 31 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.859 128.1 35.0 -72.9 -35.7 9.3 10.7 10.0 51 51 A G S S- 0 0 26 99,-2.8 2,-0.3 101,-0.2 102,-0.3 0.560 124.2 -73.8 -96.9 -10.5 6.4 8.3 10.3 52 52 A G - 0 0 22 98,-0.8 -3,-3.1 100,-0.2 2,-0.4 -0.994 66.4 -36.1 154.7-153.9 6.5 6.6 7.0 53 53 A F E -I 48 0B 144 -2,-0.3 2,-0.3 98,-0.3 -5,-0.2 -0.865 39.5-168.7-115.0 134.0 5.9 7.0 3.3 54 54 A I E -I 47 0B 15 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.5 -0.864 21.2-129.5-115.2 154.6 3.1 9.0 1.6 55 55 A K E +I 46 0B 142 -2,-0.3 -9,-0.3 -9,-0.3 2,-0.2 -0.894 36.0 174.7-102.8 128.2 2.2 8.9 -2.1 56 56 A V E -I 45 0B 7 -11,-3.7 -11,-1.8 -2,-0.5 2,-0.5 -0.738 32.5-111.5-125.7 175.5 2.0 12.4 -3.6 57 57 A R E -IJ 44 77B 48 20,-2.2 20,-2.7 -2,-0.2 2,-0.5 -0.955 29.8-141.3-110.4 130.0 1.4 13.9 -7.0 58 58 A Q E -IJ 43 76B 32 -15,-3.4 -15,-1.9 -2,-0.5 2,-0.4 -0.833 16.3-173.3 -97.3 126.9 4.4 15.8 -8.5 59 59 A Y E - J 0 75B 8 16,-2.8 16,-2.4 -2,-0.5 3,-0.3 -0.938 10.5-154.6-115.9 128.2 3.9 19.1 -10.5 60 60 A D E + 0 0 48 -2,-0.4 14,-0.2 -19,-0.4 13,-0.1 -0.589 68.9 16.8 -97.6 168.3 6.8 20.7 -12.3 61 61 A Q E S+ 0 0 155 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.815 79.6 163.6 38.1 52.1 7.3 24.3 -13.2 62 62 A I E - J 0 73B 25 11,-2.7 11,-1.8 -3,-0.3 2,-0.4 -0.842 34.8-130.2-100.8 130.7 4.6 25.6 -10.8 63 63 A L E + J 0 72B 85 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.652 31.9 172.3 -80.2 132.9 4.5 29.3 -9.9 64 64 A I E -EJ 15 71B 0 7,-3.1 7,-2.7 -2,-0.4 2,-0.5 -0.973 23.0-148.5-142.8 140.1 4.3 30.1 -6.3 65 65 A E E -EJ 14 70B 48 -51,-1.7 -51,-1.9 -2,-0.4 2,-0.7 -0.963 11.0-173.4-114.9 112.4 4.6 33.4 -4.5 66 66 A I E > S-EJ 13 69B 0 3,-2.6 3,-2.0 -2,-0.5 2,-0.2 -0.936 73.2 -38.2-105.5 114.6 6.1 33.3 -1.0 67 67 A C T 3 S- 0 0 65 -55,-2.2 -53,-0.1 -2,-0.7 -56,-0.0 -0.529 123.7 -35.5 63.5-129.5 5.8 36.7 0.6 68 68 A G T 3 S+ 0 0 66 -2,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.350 117.4 109.5-102.9 6.4 6.5 39.0 -2.4 69 69 A H E < - J 0 66B 63 -3,-2.0 -3,-2.6 24,-0.0 2,-0.4 -0.730 57.8-153.7 -87.2 117.3 9.0 36.6 -3.8 70 70 A K E + J 0 65B 138 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.746 21.0 170.0 -90.6 137.2 8.0 34.8 -6.9 71 71 A A E - J 0 64B 5 -7,-2.7 -7,-3.1 -2,-0.4 2,-0.4 -0.977 21.4-151.7-146.0 148.2 9.5 31.3 -7.5 72 72 A I E + J 0 63B 68 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.992 40.7 106.1-124.0 133.1 8.9 28.5 -10.0 73 73 A G E - 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