==== 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 1HVI . 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) . 9991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.6 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 . 41 20.7 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 2 1 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 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 75 0, 0.0 198,-2.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 167.8 -2.7 6.7 34.7 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.953 360.0-162.7-107.1 112.2 1.1 6.4 34.6 3 3 A I E -A 197 0A 33 194,-3.3 194,-2.5 -2,-0.6 2,-0.2 -0.789 4.3-154.5-101.1 127.9 2.0 3.3 32.7 4 4 A T - 0 0 63 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.483 16.3-130.7 -89.1 169.4 5.4 1.6 33.0 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.212 74.2 107.3-114.7 21.7 6.8 -0.5 30.2 6 6 A W S S+ 0 0 181 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.884 92.8 32.6 -66.6 -31.1 7.9 -3.6 31.9 7 7 A Q S S- 0 0 149 -3,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.847 111.0 -79.0-111.4 162.2 5.0 -5.3 30.3 8 8 A R - 0 0 142 -2,-0.3 2,-2.5 1,-0.1 119,-0.1 -0.310 49.3-116.5 -50.7 131.7 3.2 -4.5 27.0 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.5 -0.347 53.1 163.4 -78.0 67.6 1.0 -1.4 27.4 10 10 A L E +D 23 0B 70 -2,-2.5 2,-0.3 13,-0.2 13,-0.2 -0.712 8.4 171.9 -87.3 125.3 -2.3 -3.2 26.8 11 11 A V E -D 22 0B 16 11,-3.2 11,-3.3 -2,-0.5 2,-0.5 -0.760 34.2 -99.9-123.3 175.4 -5.4 -1.5 27.8 12 12 A T E -D 21 0B 69 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.791 37.3-175.3 -94.0 130.0 -9.2 -2.0 27.4 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.7 -2,-0.5 2,-0.5 -0.873 17.8-139.6-114.8 155.8 -11.0 0.0 24.9 14 14 A K E +DE 19 65B 96 51,-2.3 51,-2.4 -2,-0.3 2,-0.4 -0.957 31.0 157.5-118.3 128.4 -14.6 0.3 24.1 15 15 A I E > -DE 18 64B 1 3,-2.7 3,-2.8 -2,-0.5 49,-0.1 -1.000 65.8 -1.0-145.1 137.6 -15.7 0.5 20.5 16 16 A G T 3 S- 0 0 59 47,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.710 128.1 -60.9 61.8 16.1 -19.0 -0.3 18.8 17 17 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.451 116.0 118.5 79.1 -1.1 -20.4 -1.3 22.2 18 18 A Q E < -D 15 0B 115 -3,-2.8 -3,-2.7 2,-0.0 2,-0.5 -0.740 61.7-132.7 -97.2 148.3 -17.7 -4.0 22.3 19 19 A L E +D 14 0B 119 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.817 35.3 162.1 -93.2 128.1 -14.9 -4.3 24.8 20 20 A K E -D 13 0B 38 -7,-2.7 -7,-3.3 -2,-0.5 2,-0.4 -0.933 34.7-118.5-137.3 168.3 -11.4 -5.0 23.5 21 21 A E E +D 12 0B 106 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.876 34.0 179.4-104.5 141.8 -7.8 -4.9 24.4 22 22 A A E -D 11 0B 0 -11,-3.3 -11,-3.2 -2,-0.4 2,-0.5 -0.973 27.8-116.5-143.2 157.1 -5.4 -2.8 22.7 23 23 A L E -Df 10 84B 10 60,-3.4 62,-3.0 -2,-0.3 2,-0.8 -0.748 22.7-135.2 -91.3 125.5 -1.7 -1.7 22.6 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.7 -2,-0.5 62,-0.1 -0.649 33.4-173.4 -77.5 111.2 -0.8 1.8 23.3 25 25 A D > + 0 0 16 60,-2.6 3,-1.7 -2,-0.8 62,-0.4 -0.759 30.2 177.4-123.8 97.8 1.7 2.5 20.6 26 26 A T T 3 S+ 0 0 1 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.738 85.6 63.6 -66.2 -16.3 3.7 5.6 20.2 27 27 A G T 3 S+ 0 0 24 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.363 89.8 81.6 -89.6 8.2 5.5 4.1 17.2 28 28 A A < - 0 0 16 -3,-1.7 59,-3.0 57,-0.2 60,-0.2 -0.940 58.0-163.1-112.2 131.2 2.3 4.0 15.2 29 29 A D S S+ 0 0 54 -2,-0.5 59,-1.3 57,-0.2 2,-0.3 0.875 77.2 37.7 -71.7 -33.6 0.9 6.9 13.3 30 30 A D S S- 0 0 63 57,-0.2 2,-0.6 58,-0.1 57,-0.2 -0.720 81.1-109.7-121.2 166.4 -2.5 5.3 12.9 31 31 A T - 0 0 0 43,-0.4 45,-3.1 -2,-0.3 2,-0.5 -0.851 32.5-175.8 -99.6 120.2 -5.0 3.1 14.8 32 32 A V E -gH 76 84B 8 52,-1.2 52,-3.0 -2,-0.6 2,-0.3 -0.964 1.3-175.2-121.5 114.6 -5.4 -0.4 13.5 33 33 A L E -g 77 0B 0 43,-3.6 45,-2.6 -2,-0.5 47,-0.3 -0.764 30.6 -97.3-106.1 153.5 -7.9 -2.9 14.8 34 34 A E E -g 78 0B 74 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.195 64.4 -63.1 -56.1 154.9 -8.6 -6.5 14.1 35 35 A E S S+ 0 0 105 43,-0.5 2,-0.3 45,-0.1 -1,-0.2 -0.109 75.4 139.1 -41.4 115.5 -11.4 -7.4 11.7 36 36 A M - 0 0 27 -3,-0.2 2,-0.7 2,-0.0 -3,-0.1 -0.991 52.9-104.5-151.8 163.8 -14.8 -6.4 12.9 37 37 A S + 0 0 110 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.816 37.6 178.7 -94.0 119.7 -18.0 -4.9 11.6 38 38 A L - 0 0 13 -2,-0.7 2,-0.2 2,-0.1 -2,-0.0 -0.903 33.8-108.6-112.1 147.8 -18.5 -1.4 12.5 39 39 A P S S+ 0 0 108 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.491 77.1 58.7 -73.1 143.9 -21.4 0.7 11.4 40 40 A G S S- 0 0 30 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.588 87.4 -65.9 129.2 161.9 -20.6 3.2 8.7 41 41 A R - 0 0 214 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.633 52.1-165.3 -81.9 154.1 -19.3 3.5 5.3 42 42 A W - 0 0 120 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.962 14.1-142.4-138.3 161.5 -15.7 2.7 4.7 43 43 A K E -I 58 0B 104 15,-1.8 15,-3.2 -2,-0.3 2,-0.2 -0.945 27.9-111.2-119.4 143.1 -12.9 3.0 2.2 44 44 A P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.446 45.4 169.2 -63.3 136.3 -10.2 0.6 1.2 45 45 A K E -I 56 0B 72 11,-2.8 11,-3.0 -2,-0.2 2,-0.4 -0.960 27.7-133.9-139.0 165.3 -6.7 1.7 2.3 46 46 A M E +I 55 0B 96 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.964 21.3 179.0-114.6 140.7 -3.2 0.3 2.5 47 47 A I E -I 54 0B 17 7,-2.1 7,-3.0 -2,-0.4 2,-0.3 -0.989 9.0-156.5-136.6 152.3 -0.9 0.7 5.5 48 48 A G E +I 53 0B 42 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.761 23.2 138.0-122.3 165.4 2.6 -0.6 6.1 49 49 A G E > -I 52 0B 44 3,-2.4 3,-1.8 -2,-0.3 100,-0.1 -0.880 64.5 -12.1-166.9-149.3 5.1 -1.5 8.7 50 50 A I T 3 S+ 0 0 32 -2,-0.3 101,-2.3 1,-0.2 102,-0.6 -0.356 131.0 20.8 -60.8 133.9 7.7 -4.2 9.4 51 51 A G T 3 S- 0 0 35 100,-0.2 2,-0.4 99,-0.2 -1,-0.2 0.210 122.0 -84.3 95.3 -22.1 7.2 -6.9 6.9 52 52 A G E < -I 49 0B 25 -3,-1.8 -3,-2.4 100,-0.2 2,-0.3 -0.933 64.8 -22.5 129.1-151.9 5.3 -4.9 4.4 53 53 A F E -I 48 0B 150 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.810 39.4-168.4-110.7 143.5 1.8 -3.7 3.6 54 54 A I E -I 47 0B 22 -7,-3.0 -7,-2.1 -2,-0.3 2,-0.5 -0.921 24.8-117.0-123.5 158.9 -1.7 -4.8 4.5 55 55 A K E +I 46 0B 160 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.799 38.3 177.9 -92.7 131.8 -5.1 -3.9 3.2 56 56 A V E -I 45 0B 7 -11,-3.0 -11,-2.8 -2,-0.5 2,-0.6 -0.892 31.1-119.7-127.5 158.6 -7.4 -2.2 5.6 57 57 A R E -IJ 44 77B 51 20,-3.4 20,-2.7 -2,-0.3 2,-0.7 -0.858 31.0-141.5 -94.6 126.8 -10.9 -0.7 5.8 58 58 A Q E -IJ 43 76B 39 -15,-3.2 -15,-1.8 -2,-0.6 2,-0.5 -0.791 19.1-177.5 -94.6 121.1 -10.9 2.9 6.8 59 59 A Y E - J 0 75B 10 16,-2.8 16,-3.4 -2,-0.7 3,-0.4 -0.929 11.8-155.8-110.8 122.6 -13.6 4.2 9.1 60 60 A D E + 0 0 66 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.579 64.9 16.2 -95.8 162.9 -13.7 7.9 10.0 61 61 A Q E S+ 0 0 169 -2,-0.2 2,-0.4 1,-0.2 13,-0.2 0.815 79.0 166.4 48.1 38.8 -15.1 9.8 12.9 62 62 A I E - J 0 73B 27 11,-2.5 11,-2.4 -3,-0.4 2,-0.5 -0.673 35.0-127.2 -84.7 131.5 -15.5 6.7 15.1 63 63 A L E + J 0 72B 91 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.613 35.1 171.2 -74.7 120.8 -16.1 7.0 18.8 64 64 A I E -EJ 15 71B 0 7,-3.1 7,-3.0 -2,-0.5 2,-0.6 -0.978 22.5-149.6-131.1 144.8 -13.7 5.1 20.9 65 65 A E E -EJ 14 70B 58 -51,-2.4 -51,-2.3 -2,-0.4 2,-0.6 -0.917 9.2-170.2-119.1 121.7 -13.2 5.0 24.6 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-1.9 -2,-0.6 -53,-0.2 -0.908 76.7 -26.6-113.5 113.1 -9.8 4.4 26.0 67 67 A C T 3 S- 0 0 57 -55,-1.7 -1,-0.2 -2,-0.6 -54,-0.1 0.928 128.4 -48.2 46.4 47.1 -9.6 3.8 29.8 68 68 A G T 3 S+ 0 0 58 1,-0.2 2,-0.6 -3,-0.2 -1,-0.3 0.623 115.1 119.4 69.1 8.9 -12.7 5.9 30.1 69 69 A H E < - J 0 66B 70 -3,-1.9 -3,-3.2 2,-0.0 2,-0.3 -0.915 59.6-131.3-104.8 129.4 -11.4 8.7 27.9 70 70 A K E + J 0 65B 145 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.540 26.7 174.6 -76.9 135.5 -13.3 9.5 24.8 71 71 A A E - 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