==== 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) 26-JAN-94 1HVK . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.N.BHAT,M.V.HOSUR,E.T.BALDWIN,J.W.ERICKSON . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 73.2 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 . 39 19.7 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 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 78 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 172.3 -2.5 6.9 34.9 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.965 360.0-161.3-108.5 125.5 1.2 6.4 34.6 3 3 A I E -A 197 0A 32 194,-3.3 194,-2.4 -2,-0.5 2,-0.1 -0.914 2.6-153.7-110.3 123.4 2.0 3.3 32.7 4 4 A T - 0 0 74 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.425 15.5-131.7 -85.2 173.0 5.4 1.6 33.0 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.1 185,-0.1 0.161 72.1 110.0-119.8 21.9 6.8 -0.5 30.2 6 6 A W S S+ 0 0 176 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.881 93.1 26.3 -67.6 -31.6 8.0 -3.6 31.9 7 7 A Q S S- 0 0 145 -3,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.851 111.2 -70.2-121.1 174.5 5.2 -5.2 30.2 8 8 A R - 0 0 139 -2,-0.3 2,-2.5 1,-0.1 119,-0.1 -0.280 47.4-121.8 -55.4 132.0 3.2 -4.5 27.1 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.5 -0.371 51.0 161.3 -82.1 67.7 1.1 -1.4 27.4 10 10 A L E +D 23 0B 69 -2,-2.5 2,-0.3 13,-0.2 13,-0.2 -0.717 10.7 174.9 -83.2 129.2 -2.2 -3.1 26.8 11 11 A V E -D 22 0B 14 11,-3.0 11,-3.0 -2,-0.5 2,-0.5 -0.859 33.4 -99.9-128.5 171.1 -5.3 -1.5 27.8 12 12 A T E -D 21 0B 72 -2,-0.3 55,-1.7 9,-0.2 2,-0.4 -0.707 38.3-174.2 -87.1 130.5 -9.1 -2.0 27.5 13 13 A I E -DE 20 66B 1 7,-3.4 7,-2.4 -2,-0.5 2,-0.5 -0.908 17.1-141.6-118.2 153.4 -10.9 -0.1 24.9 14 14 A K E +DE 19 65B 100 51,-2.7 51,-2.7 -2,-0.4 2,-0.4 -0.954 28.7 160.8-116.1 129.5 -14.5 0.2 24.1 15 15 A I E > -DE 18 64B 2 3,-2.7 3,-3.0 -2,-0.5 49,-0.1 -0.992 67.3 -9.5-145.1 133.6 -15.6 0.4 20.6 16 16 A G T 3 S- 0 0 59 47,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.839 128.7 -56.6 52.5 29.7 -18.9 -0.2 18.9 17 17 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.468 114.7 115.1 76.8 -1.5 -20.1 -1.6 22.3 18 18 A Q E < -D 15 0B 114 -3,-3.0 -3,-2.7 2,-0.0 2,-0.5 -0.787 61.0-134.3 -97.3 151.5 -17.4 -4.2 22.5 19 19 A L E +D 14 0B 121 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.829 34.7 162.6 -89.5 129.1 -14.6 -4.5 24.9 20 20 A K E -D 13 0B 39 -7,-2.4 -7,-3.4 -2,-0.5 2,-0.4 -0.958 35.4-120.5-132.8 163.3 -11.2 -5.2 23.4 21 21 A E E +D 12 0B 109 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.887 34.4 179.6-101.1 142.3 -7.6 -5.0 24.5 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-3.0 -2,-0.4 2,-0.5 -0.944 27.9-113.0-139.1 158.7 -5.3 -2.8 22.5 23 23 A L E -Df 10 84B 11 60,-3.2 62,-3.2 -2,-0.3 2,-0.8 -0.756 22.4-133.7 -93.9 130.2 -1.7 -1.7 22.6 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.7 -2,-0.5 62,-0.1 -0.701 34.6-173.7 -80.5 113.2 -0.8 1.9 23.3 25 25 A D > + 0 0 16 60,-2.7 3,-1.5 -2,-0.8 62,-0.3 -0.760 29.2 179.3-125.5 97.9 1.7 2.6 20.6 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.2 98,-0.1 0.710 84.9 60.9 -68.1 -13.9 3.7 5.7 20.2 27 27 A G T 3 S+ 0 0 21 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.560 88.4 86.2 -88.2 -6.1 5.5 4.4 17.1 28 28 A A < - 0 0 19 -3,-1.5 59,-3.1 57,-0.2 60,-0.2 -0.808 57.4-162.6 -97.3 129.4 2.3 4.1 15.1 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.873 77.8 38.5 -67.8 -33.2 0.9 7.0 13.1 30 30 A D S S- 0 0 61 57,-0.2 2,-0.5 58,-0.1 57,-0.2 -0.700 79.9-113.2-120.2 165.1 -2.4 5.3 12.9 31 31 A T - 0 0 1 43,-0.4 45,-2.9 -2,-0.2 2,-0.4 -0.902 31.3-177.8-104.9 123.5 -4.9 3.1 14.7 32 32 A V E -gH 76 84B 9 52,-1.1 52,-3.3 -2,-0.5 2,-0.3 -0.979 0.5-176.6-125.0 116.7 -5.4 -0.4 13.5 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.4 -2,-0.4 47,-0.3 -0.795 33.4 -91.6-110.4 156.4 -7.8 -2.9 14.9 34 34 A E - 0 0 72 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.133 65.3 -65.4 -59.7 158.5 -8.6 -6.5 14.1 35 35 A E S S+ 0 0 109 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.173 75.7 138.1 -52.3 128.9 -11.2 -7.4 11.7 36 36 A M - 0 0 25 -3,-0.1 2,-0.9 2,-0.0 -3,-0.1 -0.988 53.6 -96.8-163.6 155.9 -14.7 -6.4 12.9 37 37 A S + 0 0 110 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.705 39.6 175.4 -88.3 113.9 -17.9 -4.9 11.8 38 38 A L - 0 0 15 -2,-0.9 2,-0.2 2,-0.1 -2,-0.0 -0.817 34.1-110.8-104.7 153.5 -18.3 -1.3 12.4 39 39 A P S S+ 0 0 102 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.546 76.0 60.7 -79.1 151.4 -21.2 0.8 11.3 40 40 A G S S- 0 0 31 -2,-0.2 2,-0.3 19,-0.1 -2,-0.1 -0.521 86.3 -71.0 121.0 159.4 -20.4 3.2 8.7 41 41 A R - 0 0 219 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.670 50.2-161.2 -88.6 156.7 -19.1 3.5 5.3 42 42 A W - 0 0 111 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.964 15.5-142.7-138.5 159.3 -15.5 2.7 4.6 43 43 A K E -I 58 0B 100 15,-1.8 15,-3.5 -2,-0.3 2,-0.2 -0.942 29.6-115.2-112.7 141.5 -12.7 3.2 2.1 44 44 A P E +I 57 0B 94 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.504 42.9 171.5 -71.3 142.8 -10.0 0.7 1.3 45 45 A K E -I 56 0B 66 11,-2.7 11,-3.1 -2,-0.2 2,-0.4 -0.943 26.4-133.3-141.7 162.8 -6.5 1.7 2.3 46 46 A M E +I 55 0B 105 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.972 22.7 177.0-121.8 141.1 -3.1 0.3 2.5 47 47 A I E -I 54 0B 14 7,-2.7 7,-2.8 -2,-0.4 2,-0.3 -0.970 8.3-157.9-137.2 153.3 -0.7 0.6 5.4 48 48 A G E +I 53 0B 44 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.807 21.2 144.8-127.6 173.0 2.7 -0.7 6.1 49 49 A G E > -I 52 0B 38 3,-2.2 3,-1.6 -2,-0.3 2,-0.1 -0.843 65.2 -13.0-166.3-150.1 5.1 -1.5 8.8 50 50 A I T 3 S+ 0 0 27 -2,-0.2 101,-2.1 1,-0.2 102,-0.6 -0.379 131.3 20.8 -59.4 133.5 7.8 -4.1 9.5 51 51 A G T 3 S- 0 0 34 100,-0.2 2,-0.4 99,-0.2 102,-0.2 0.245 120.9 -79.9 96.7 -23.6 7.3 -6.8 7.0 52 52 A G E < -I 49 0B 24 -3,-1.6 -3,-2.2 100,-0.2 2,-0.4 -0.940 65.2 -26.1 131.8-157.6 5.3 -5.0 4.4 53 53 A F E -I 48 0B 152 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.842 38.0-170.4-113.3 142.5 1.9 -3.7 3.6 54 54 A I E -I 47 0B 21 -7,-2.8 -7,-2.7 -2,-0.4 2,-0.5 -0.933 23.9-122.0-125.8 154.2 -1.5 -4.8 4.5 55 55 A K E +I 46 0B 146 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.802 37.2 172.1 -96.2 131.6 -4.9 -3.7 3.2 56 56 A V E -I 45 0B 5 -11,-3.1 -11,-2.7 -2,-0.5 2,-0.5 -0.848 32.7-111.6-129.2 170.2 -7.3 -2.3 5.6 57 57 A R E -IJ 44 77B 60 20,-3.0 20,-2.7 -2,-0.3 2,-0.7 -0.906 28.7-140.1-103.2 132.5 -10.7 -0.6 5.7 58 58 A Q E -IJ 43 76B 39 -15,-3.5 -15,-1.8 -2,-0.5 2,-0.5 -0.809 17.4-175.4 -94.3 119.3 -10.8 3.0 6.8 59 59 A Y E - J 0 75B 8 16,-2.9 16,-3.1 -2,-0.7 3,-0.4 -0.937 14.5-150.5-107.5 124.4 -13.6 4.2 9.0 60 60 A D E + 0 0 70 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.563 66.1 11.6 -90.4 157.7 -13.7 7.9 9.8 61 61 A Q E S+ 0 0 166 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.840 78.4 167.8 47.8 43.1 -15.0 9.7 12.8 62 62 A I E - J 0 73B 22 11,-2.4 11,-2.5 -3,-0.4 2,-0.5 -0.696 32.7-130.3 -88.0 132.5 -15.4 6.6 15.1 63 63 A L E + J 0 72B 81 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.650 34.0 170.1 -80.8 126.2 -16.0 7.0 18.8 64 64 A I E -EJ 15 71B 0 7,-3.2 7,-2.8 -2,-0.5 2,-0.6 -0.988 23.9-143.8-134.4 146.8 -13.7 5.0 20.9 65 65 A E E -EJ 14 70B 51 -51,-2.7 -51,-2.7 -2,-0.4 2,-0.6 -0.924 10.4-168.8-119.5 127.1 -13.1 5.0 24.6 66 66 A I E > S-EJ 13 69B 0 3,-3.5 3,-2.1 -2,-0.6 -53,-0.2 -0.916 75.4 -28.7-118.6 110.4 -9.7 4.4 26.0 67 67 A C T 3 S- 0 0 59 -55,-1.7 -1,-0.2 -2,-0.6 -54,-0.1 0.930 127.7 -47.0 46.2 48.4 -9.5 3.7 29.7 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.502 117.4 114.1 75.7 -2.3 -12.6 5.8 30.2 69 69 A H E < - J 0 66B 71 -3,-2.1 -3,-3.5 2,-0.0 2,-0.2 -0.891 61.3-131.8-104.2 131.8 -11.3 8.7 28.0 70 70 A K E + J 0 65B 145 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.528 24.3 178.0 -82.0 142.8 -13.2 9.3 24.8 71 71 A A E - 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