==== 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 1HVJ . 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) . 10064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 76.3 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 . 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 . 46 23.2 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 3 2 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 76 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 175.2 -2.5 6.9 34.9 2 2 A Q E -A 198 0A 124 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.961 360.0-159.8-110.6 124.7 1.2 6.4 34.6 3 3 A I E -A 197 0A 31 194,-3.4 194,-2.7 -2,-0.5 2,-0.2 -0.880 2.7-152.4-109.7 122.3 2.1 3.3 32.7 4 4 A T - 0 0 71 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.489 15.8-131.9 -82.7 161.8 5.4 1.6 33.0 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 -1,-0.1 0.080 72.6 109.0-109.0 27.2 6.8 -0.4 30.2 6 6 A W S S+ 0 0 178 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.935 92.8 21.9 -71.1 -38.7 8.0 -3.6 31.9 7 7 A Q S S- 0 0 150 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.761 113.7 -69.2-111.3 172.7 5.2 -5.4 30.3 8 8 A R - 0 0 134 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.341 46.5-119.1 -57.8 135.0 3.3 -4.4 27.1 9 9 A P + 0 0 4 0, 0.0 15,-3.2 0, 0.0 2,-0.5 -0.422 52.4 160.4 -79.2 73.3 1.0 -1.3 27.5 10 10 A L E +D 23 0B 66 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.819 10.9 173.8 -91.8 129.2 -2.2 -3.1 26.8 11 11 A V E -D 22 0B 14 11,-3.2 11,-3.2 -2,-0.5 2,-0.5 -0.848 33.9 -97.6-127.8 171.2 -5.4 -1.5 27.8 12 12 A T E -D 21 0B 66 -2,-0.3 55,-1.7 9,-0.2 2,-0.4 -0.712 37.2-172.3 -86.1 130.0 -9.1 -2.0 27.5 13 13 A I E -DE 20 66B 0 7,-3.1 7,-2.4 -2,-0.5 2,-0.5 -0.882 15.1-143.4-112.2 153.9 -10.9 -0.1 24.9 14 14 A K E +DE 19 65B 96 51,-2.3 51,-2.7 -2,-0.4 2,-0.3 -0.970 29.8 158.0-114.6 134.5 -14.6 0.2 24.2 15 15 A I E > -DE 18 64B 3 3,-2.6 3,-2.8 -2,-0.5 49,-0.1 -0.983 65.4 -4.9-154.0 135.5 -15.8 0.5 20.7 16 16 A G T 3 S- 0 0 58 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.823 128.4 -59.6 52.6 27.0 -19.1 -0.2 18.9 17 17 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.363 114.8 116.8 77.5 -10.2 -20.2 -1.5 22.3 18 18 A Q E < -D 15 0B 117 -3,-2.8 -3,-2.6 1,-0.0 2,-0.5 -0.631 61.1-132.7 -87.4 155.1 -17.5 -4.1 22.4 19 19 A L E +D 14 0B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.880 34.7 164.0 -96.2 128.5 -14.7 -4.5 24.8 20 20 A K E -D 13 0B 38 -7,-2.4 -7,-3.1 -2,-0.5 2,-0.4 -0.948 34.5-121.0-130.0 162.9 -11.3 -5.1 23.4 21 21 A E E +D 12 0B 111 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.858 35.0 178.0 -99.3 143.3 -7.7 -5.0 24.5 22 22 A A E -D 11 0B 0 -11,-3.2 -11,-3.2 -2,-0.4 2,-0.5 -0.958 27.9-114.4-141.4 161.5 -5.3 -2.8 22.6 23 23 A L E -Df 10 84B 8 60,-3.4 62,-2.9 -2,-0.3 2,-0.8 -0.814 21.1-134.7 -98.7 124.7 -1.8 -1.7 22.6 24 24 A L E - f 0 85B 0 -15,-3.2 2,-0.7 -2,-0.5 62,-0.1 -0.617 34.4-174.3 -75.8 109.6 -0.8 1.9 23.3 25 25 A D > + 0 0 17 60,-2.5 3,-2.0 -2,-0.8 62,-0.4 -0.692 30.9 176.1-124.3 93.0 1.7 2.5 20.6 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.2 1,-0.3 98,-0.1 0.728 85.9 64.4 -59.6 -18.7 3.8 5.7 20.2 27 27 A G T 3 S+ 0 0 21 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.494 90.4 81.1 -85.4 1.6 5.5 4.1 17.2 28 28 A A < - 0 0 16 -3,-2.0 59,-3.2 57,-0.2 60,-0.2 -0.887 58.0-164.1-106.9 130.1 2.4 4.0 15.2 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.0 57,-0.2 2,-0.3 0.826 77.0 36.7 -70.7 -28.6 0.9 6.9 13.3 30 30 A D S S- 0 0 60 57,-0.2 2,-0.5 58,-0.1 57,-0.2 -0.771 80.9-108.4-125.2 165.3 -2.4 5.3 12.9 31 31 A T - 0 0 0 43,-0.4 45,-3.0 -2,-0.3 2,-0.5 -0.857 32.5-178.1-101.8 123.8 -5.0 3.1 14.7 32 32 A V E -gH 76 84B 8 52,-1.5 52,-3.3 -2,-0.5 2,-0.3 -0.966 0.7-175.8-124.6 121.4 -5.5 -0.4 13.5 33 33 A L E -g 77 0B 1 43,-3.5 45,-2.9 -2,-0.5 47,-0.3 -0.836 33.3 -93.6-114.6 155.1 -7.9 -2.9 14.9 34 34 A E - 0 0 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.171 65.8 -68.2 -53.9 155.2 -8.6 -6.5 14.2 35 35 A E S S+ 0 0 111 43,-0.4 2,-0.3 42,-0.1 -1,-0.2 -0.188 74.1 141.8 -53.6 129.7 -11.3 -7.3 11.7 36 36 A M - 0 0 24 -3,-0.2 2,-1.0 2,-0.0 -3,-0.1 -0.993 52.8 -98.3-161.9 155.0 -14.8 -6.4 12.9 37 37 A S + 0 0 109 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.684 40.9 176.3 -85.6 110.6 -18.0 -5.0 11.7 38 38 A L - 0 0 15 -2,-1.0 2,-0.2 2,-0.1 -2,-0.0 -0.849 34.2-106.7-103.1 147.7 -18.4 -1.4 12.5 39 39 A P S S+ 0 0 102 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.416 76.5 46.3 -64.9 141.9 -21.4 0.7 11.5 40 40 A G S S- 0 0 30 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.462 87.6 -56.2 118.9 166.3 -20.7 3.1 8.7 41 41 A R - 0 0 216 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.592 52.2-166.7 -85.0 151.3 -19.3 3.6 5.4 42 42 A W - 0 0 108 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.963 16.5-137.7-140.5 155.5 -15.6 2.8 4.8 43 43 A K E -I 58 0B 99 15,-2.0 15,-3.6 -2,-0.3 2,-0.3 -0.924 26.4-117.8-112.7 138.4 -12.8 3.2 2.4 44 44 A P E +I 57 0B 109 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.468 45.6 166.7 -65.2 129.2 -10.2 0.6 1.3 45 45 A K E -I 56 0B 65 11,-3.0 11,-3.3 -2,-0.3 2,-0.4 -0.934 29.3-131.3-135.4 161.7 -6.8 1.7 2.3 46 46 A M E -I 55 0B 103 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.942 21.3-179.8-113.9 147.0 -3.3 0.3 2.6 47 47 A I E -I 54 0B 17 7,-2.5 7,-2.8 -2,-0.4 2,-0.3 -0.996 7.4-158.2-139.4 148.9 -0.8 0.6 5.5 48 48 A G E +I 53 0B 43 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.748 23.2 135.4-123.6 171.3 2.6 -0.6 6.2 49 49 A G E > -I 52 0B 47 3,-2.0 3,-1.5 -2,-0.3 2,-0.2 -0.852 67.0 -5.5-168.7-145.2 5.2 -1.5 8.7 50 50 A I T 3 S+ 0 0 34 -2,-0.2 101,-2.1 1,-0.2 102,-0.6 -0.446 131.8 18.9 -61.1 128.1 7.7 -4.3 9.4 51 51 A G T 3 S- 0 0 36 100,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.218 119.6 -85.8 99.4 -19.6 7.1 -6.9 6.8 52 52 A G E < -I 49 0B 24 -3,-1.5 -3,-2.0 100,-0.2 2,-0.4 -0.929 66.6 -16.2 127.7-149.0 5.3 -4.9 4.3 53 53 A F E -I 48 0B 151 -2,-0.4 2,-0.4 98,-0.2 -5,-0.2 -0.870 38.5-169.0-116.1 138.4 1.8 -3.8 3.5 54 54 A I E -I 47 0B 20 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.4 -0.914 24.2-121.1-117.7 149.7 -1.7 -4.8 4.6 55 55 A K E +I 46 0B 166 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.734 38.6 173.2 -84.2 131.2 -5.1 -3.9 3.2 56 56 A V E -I 45 0B 7 -11,-3.3 -11,-3.0 -2,-0.4 2,-0.6 -0.858 33.3-116.8-130.7 167.3 -7.5 -2.2 5.6 57 57 A R E -IJ 44 77B 62 20,-2.9 20,-2.7 -2,-0.3 2,-0.7 -0.923 29.1-140.5-103.7 121.2 -10.9 -0.6 5.8 58 58 A Q E -IJ 43 76B 41 -15,-3.6 -15,-2.0 -2,-0.6 2,-0.6 -0.677 16.1-171.4 -82.3 118.0 -10.8 3.0 6.9 59 59 A Y E - J 0 75B 7 16,-3.4 16,-3.0 -2,-0.7 3,-0.4 -0.920 11.4-153.1-105.1 119.0 -13.6 4.2 9.2 60 60 A D E + 0 0 65 -2,-0.6 14,-0.2 -19,-0.4 13,-0.1 -0.505 66.4 10.7 -84.5 154.6 -13.8 8.0 9.9 61 61 A Q E S+ 0 0 168 1,-0.2 2,-0.4 -2,-0.2 13,-0.2 0.800 79.6 167.9 52.3 35.5 -15.2 9.8 12.9 62 62 A I E - J 0 73B 25 11,-2.2 11,-2.5 -3,-0.4 2,-0.5 -0.585 32.4-131.2 -82.7 132.4 -15.4 6.7 15.1 63 63 A L E + J 0 72B 83 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.672 33.4 171.0 -85.1 129.3 -16.1 7.1 18.8 64 64 A I E -EJ 15 71B 0 7,-3.1 7,-2.8 -2,-0.5 2,-0.6 -0.985 23.8-144.6-138.1 145.0 -13.8 5.1 21.0 65 65 A E E -EJ 14 70B 55 -51,-2.7 -51,-2.3 -2,-0.4 2,-0.6 -0.906 10.1-169.3-120.1 121.3 -13.1 5.0 24.7 66 66 A I E > S-EJ 13 69B 0 3,-3.4 3,-1.4 -2,-0.6 -53,-0.2 -0.870 76.5 -29.9-113.7 110.1 -9.7 4.4 26.1 67 67 A C T 3 S- 0 0 60 -55,-1.7 -1,-0.2 -2,-0.6 -54,-0.1 0.952 129.0 -44.9 43.6 51.8 -9.6 3.7 29.8 68 68 A G T 3 S+ 0 0 56 -3,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.628 116.0 117.2 71.0 7.3 -12.6 5.9 30.2 69 69 A H E < - J 0 66B 73 -3,-1.4 -3,-3.4 2,-0.0 2,-0.3 -0.927 60.1-131.6-108.9 130.2 -11.4 8.7 28.0 70 70 A K E + J 0 65B 151 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.527 25.8 175.8 -77.0 136.9 -13.3 9.5 24.8 71 71 A A E - 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