==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ACID PROTEASE) 17-NOV-94 1HVS . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR E.T.BALDWIN,T.N.BHAT,B.LIU,N.PATTABIRAMAN,J.W.ERICKSON . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10052.0 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 . 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 . 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 2 1 3 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 79 0, 0.0 198,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 178.0 -2.3 7.1 34.7 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.963 360.0-165.5-111.7 126.5 1.3 6.5 34.6 3 3 A I E -A 197 0A 35 194,-2.7 194,-2.2 -2,-0.5 2,-0.2 -0.936 6.3-152.6-116.1 129.2 2.2 3.3 32.8 4 4 A T - 0 0 69 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.521 16.8-131.6 -92.8 168.6 5.5 1.7 32.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 -2,-0.2 185,-0.1 -0.014 74.8 107.6-117.7 28.0 6.7 -0.4 30.1 6 6 A W S S+ 0 0 176 185,-0.1 2,-0.2 184,-0.1 -1,-0.2 0.918 91.6 32.0 -72.8 -38.0 7.9 -3.5 31.8 7 7 A Q S S- 0 0 155 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.723 112.8 -79.9-102.8 163.7 4.9 -5.2 30.4 8 8 A R - 0 0 141 -2,-0.2 2,-1.6 1,-0.1 119,-0.1 -0.386 50.6-113.8 -59.9 134.9 3.2 -4.5 27.1 9 9 A P + 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.521 51.5 165.8 -80.4 90.7 1.0 -1.4 27.5 10 10 A L E +D 23 0B 81 -2,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.862 9.7 175.9-111.7 137.8 -2.4 -2.8 27.0 11 11 A V E -D 22 0B 11 11,-2.9 11,-2.6 -2,-0.4 2,-0.4 -0.891 33.4-106.2-130.8 164.8 -5.6 -1.1 27.8 12 12 A T E -D 21 0B 74 -2,-0.3 55,-1.9 9,-0.2 2,-0.3 -0.747 36.3-170.4 -87.4 137.5 -9.3 -1.9 27.4 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.0 -2,-0.4 2,-0.5 -0.893 13.6-145.8-122.1 155.3 -11.0 0.1 24.7 14 14 A K E +DE 19 65B 97 51,-2.4 51,-2.2 -2,-0.3 2,-0.3 -0.993 30.0 156.4-120.7 128.6 -14.7 0.4 24.0 15 15 A I E > -DE 18 64B 2 3,-2.7 3,-3.1 -2,-0.5 49,-0.1 -0.994 63.7 -4.1-151.5 138.8 -15.7 0.8 20.5 16 16 A G T 3 S- 0 0 59 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.522 130.3 -55.3 64.1 2.4 -18.9 0.1 18.5 17 17 A G T 3 S+ 0 0 62 1,-0.4 -1,-0.3 0, 0.0 2,-0.3 0.187 116.4 110.9 106.5 -16.6 -20.3 -1.5 21.7 18 18 A Q E < -D 15 0B 113 -3,-3.1 -3,-2.7 0, 0.0 -1,-0.4 -0.655 60.6-137.5 -96.2 154.4 -17.5 -3.9 22.1 19 19 A L E +D 14 0B 110 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.827 34.8 160.2 -94.3 146.6 -14.7 -4.1 24.7 20 20 A K E -D 13 0B 42 -7,-2.0 -7,-3.0 -2,-0.4 2,-0.4 -0.937 35.3-117.7-151.7 166.8 -11.3 -4.9 23.3 21 21 A E E +D 12 0B 112 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.950 33.1 175.4-113.0 146.3 -7.7 -4.6 24.4 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.4 -0.919 28.6-113.0-144.0 165.3 -5.2 -2.6 22.5 23 23 A L E -Df 10 84B 16 60,-2.9 62,-3.3 -2,-0.3 2,-0.8 -0.798 23.6-127.9-100.8 140.3 -1.7 -1.5 22.8 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.7 -2,-0.4 62,-0.1 -0.772 35.5-170.9 -87.3 114.4 -0.8 2.1 23.4 25 25 A D > + 0 0 15 60,-2.8 3,-1.8 -2,-0.8 62,-0.3 -0.769 28.1 176.7-124.7 99.7 1.7 2.6 20.7 26 26 A T T 3 S+ 0 0 1 -2,-0.7 -1,-0.2 1,-0.3 98,-0.1 0.740 85.6 61.3 -67.1 -21.0 3.8 5.7 20.4 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.418 90.3 85.3 -87.3 10.1 5.6 4.3 17.4 28 28 A A < - 0 0 17 -3,-1.8 59,-3.4 57,-0.2 60,-0.2 -0.949 56.8-163.9-115.2 125.4 2.4 4.1 15.3 29 29 A D S S+ 0 0 54 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.883 77.3 30.8 -63.0 -41.8 1.1 7.1 13.4 30 30 A D S S- 0 0 65 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.671 82.1-107.0-121.3 168.3 -2.3 5.5 13.0 31 31 A T - 0 0 1 43,-0.4 45,-2.9 -2,-0.2 2,-0.4 -0.890 31.5-176.7-105.5 124.2 -4.8 3.2 14.8 32 32 A V E -gH 76 84B 5 52,-1.0 52,-2.5 -2,-0.5 2,-0.4 -0.978 2.3-175.7-124.3 117.7 -5.3 -0.3 13.4 33 33 A L E -g 77 0B 0 43,-3.4 45,-2.4 -2,-0.4 3,-0.2 -0.844 32.9 -96.2-113.9 150.7 -7.7 -2.8 14.8 34 34 A E E -g 78 0B 85 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.193 65.5 -64.3 -56.5 155.0 -8.4 -6.3 14.0 35 35 A E S S+ 0 0 105 43,-0.7 2,-0.3 42,-0.1 -1,-0.2 -0.143 71.2 143.6 -41.9 121.0 -11.3 -7.0 11.7 36 36 A M - 0 0 26 -3,-0.2 2,-0.6 2,-0.0 -3,-0.0 -0.971 51.8-104.1-151.0 165.3 -14.7 -6.1 12.8 37 37 A S + 0 0 114 -2,-0.3 3,-0.0 -21,-0.0 -2,-0.0 -0.856 41.4 177.8 -88.9 127.1 -18.0 -4.7 11.6 38 38 A L - 0 0 12 -2,-0.6 2,-0.1 2,-0.1 -2,-0.0 -0.967 35.9-104.3-126.0 144.2 -18.4 -1.1 12.6 39 39 A P S S+ 0 0 98 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.368 82.6 50.5 -61.7 146.7 -21.3 1.0 11.7 40 40 A G S S- 0 0 39 -2,-0.1 2,-0.3 19,-0.0 -2,-0.1 -0.727 85.5 -67.8 120.7-176.2 -20.5 3.4 9.0 41 41 A R - 0 0 216 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.759 44.5-161.4-117.6 162.3 -18.9 3.6 5.5 42 42 A W - 0 0 124 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.980 16.4-143.9-151.4 162.4 -15.4 3.0 4.6 43 43 A K E -I 58 0B 95 15,-1.0 15,-2.8 -2,-0.3 2,-0.1 -0.928 33.7-110.4-121.6 143.1 -12.7 3.4 2.1 44 44 A P E +I 57 0B 105 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.464 44.5 169.0 -67.8 148.9 -10.0 0.9 1.2 45 45 A K E -I 56 0B 69 11,-2.2 11,-2.8 -2,-0.1 2,-0.4 -0.958 28.3-132.8-150.0 166.1 -6.5 1.8 2.3 46 46 A M E -I 55 0B 101 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.976 22.0-178.3-118.0 142.1 -3.1 0.3 2.6 47 47 A I E -I 54 0B 16 7,-2.3 7,-3.0 -2,-0.4 2,-0.3 -0.956 8.6-155.7-132.5 159.5 -0.9 0.7 5.7 48 48 A G E +I 53 0B 44 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.872 22.4 146.0-136.5 163.8 2.6 -0.6 6.3 49 49 A G E > -I 52 0B 36 3,-2.7 3,-1.9 -2,-0.3 2,-0.1 -0.769 65.7 -18.3-158.5-154.5 5.1 -1.5 8.9 50 50 A I T 3 S+ 0 0 26 1,-0.3 101,-2.0 -2,-0.2 102,-0.5 -0.441 131.7 23.2 -59.9 128.5 7.9 -4.0 9.3 51 51 A G T 3 S- 0 0 36 100,-0.2 2,-0.4 99,-0.2 -1,-0.3 0.221 120.9 -80.1 97.8 -18.9 7.2 -6.6 6.8 52 52 A G E < -I 49 0B 21 -3,-1.9 -3,-2.7 100,-0.2 2,-0.4 -0.933 64.3 -29.0 129.8-157.2 5.2 -4.7 4.4 53 53 A F E -I 48 0B 151 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.872 36.9-166.6-119.3 142.7 1.8 -3.5 3.7 54 54 A I E -I 47 0B 20 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.5 -0.800 25.2-116.8-116.3 166.4 -1.7 -4.6 4.6 55 55 A K E +I 46 0B 158 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.888 37.3 178.5-104.5 133.6 -5.1 -3.6 3.3 56 56 A V E -I 45 0B 6 -11,-2.8 -11,-2.2 -2,-0.5 2,-0.4 -0.842 29.9-121.8-131.9 158.9 -7.3 -2.0 5.8 57 57 A R E -IJ 44 77B 49 20,-3.2 20,-2.7 -2,-0.3 2,-0.6 -0.891 30.8-139.5 -97.1 139.0 -10.8 -0.5 5.8 58 58 A Q E -IJ 43 76B 38 -15,-2.8 -15,-1.0 -2,-0.4 2,-0.5 -0.869 19.2-176.7-103.7 126.1 -10.9 3.1 6.9 59 59 A Y E - J 0 75B 8 16,-2.9 16,-3.1 -2,-0.6 3,-0.3 -0.982 11.0-158.3-115.1 129.5 -13.6 4.4 9.2 60 60 A D E + 0 0 64 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.609 66.2 22.0 -97.0 162.2 -13.6 8.1 10.1 61 61 A Q E S+ 0 0 170 -2,-0.2 2,-0.5 1,-0.2 13,-0.2 0.789 78.8 162.6 53.5 39.8 -15.2 9.9 13.0 62 62 A I E - J 0 73B 23 11,-2.3 11,-2.3 -3,-0.3 2,-0.3 -0.775 35.6-132.2 -94.7 128.6 -15.4 6.8 15.2 63 63 A L E + J 0 72B 91 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.573 32.0 171.0 -71.7 133.5 -16.0 7.2 18.9 64 64 A I E -EJ 15 71B 1 7,-2.7 7,-2.8 -2,-0.3 2,-0.5 -0.997 22.4-150.4-145.6 141.6 -13.6 5.2 20.9 65 65 A E E -EJ 14 70B 56 -51,-2.2 -51,-2.4 -2,-0.4 2,-0.6 -0.979 9.1-169.1-115.6 125.2 -13.1 5.2 24.6 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.0 -2,-0.5 -53,-0.2 -0.967 78.2 -24.1-114.5 114.1 -9.6 4.3 25.9 67 67 A C T 3 S- 0 0 61 -55,-1.9 -1,-0.2 -2,-0.6 -54,-0.1 0.902 126.8 -49.8 50.6 46.9 -9.6 3.8 29.6 68 68 A G T 3 S+ 0 0 59 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.535 115.9 113.1 72.3 2.9 -12.7 5.9 30.1 69 69 A H E < - J 0 66B 74 -3,-2.0 -3,-2.9 2,-0.0 2,-0.3 -0.934 62.2-133.8-106.5 134.8 -11.2 8.8 28.0 70 70 A K E + J 0 65B 144 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.642 24.7 175.3 -90.6 143.2 -13.0 9.5 24.8 71 71 A A E - 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