==== 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/HYDROLASE INHIBITOR 20-JAN-09 3FX5 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.ADACHI,T.OHHARA,T.TAMADA,N.OKAZAKI,R.KUROKI . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 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 . 25 12.6 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 4 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 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 84 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.0 -0.4 39.0 18.1 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.987 360.0-163.2-112.0 117.5 -0.3 36.6 21.1 3 3 A I E -A 197 0A 35 194,-3.2 194,-2.5 -2,-0.5 2,-0.1 -0.907 6.1-148.1-108.7 118.8 0.6 33.1 20.0 4 4 A T - 0 0 66 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.291 12.1-133.3 -79.7 169.1 -0.1 30.3 22.4 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.233 75.1 106.8-114.8 17.1 2.1 27.2 22.5 6 6 A W S S+ 0 0 197 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.825 94.2 23.4 -62.5 -29.6 -0.5 24.4 22.4 7 7 A K S S- 0 0 162 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.834 110.8 -70.6-127.4 169.9 0.6 23.9 18.8 8 8 A R - 0 0 135 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.392 49.5-119.7 -60.2 134.4 3.8 24.7 16.9 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.488 49.4 167.8 -83.3 76.6 4.1 28.5 16.3 10 10 A L E +D 23 0B 66 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.752 6.4 172.1 -92.0 138.3 4.1 28.4 12.5 11 11 A V E -D 22 0B 20 11,-2.7 11,-2.8 -2,-0.4 2,-0.4 -0.900 35.3-101.1-137.1 165.0 3.6 31.5 10.5 12 12 A T E -D 21 0B 90 -2,-0.3 55,-2.6 9,-0.2 2,-0.3 -0.755 39.1-173.5 -88.8 136.9 3.8 32.5 6.9 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.3 -2,-0.4 2,-0.4 -0.870 18.6-144.0-121.8 159.1 6.9 34.3 5.7 14 14 A K E +DE 19 65B 100 51,-2.2 51,-2.5 -2,-0.3 2,-0.4 -0.996 29.7 160.9-124.2 123.8 7.9 36.0 2.5 15 15 A I E > -DE 18 64B 1 3,-2.5 3,-2.3 -2,-0.4 49,-0.1 -0.992 66.6 -4.1-143.6 130.3 11.6 35.7 1.5 16 16 A G T 3 S- 0 0 51 47,-0.6 21,-0.1 -2,-0.4 3,-0.1 0.816 129.5 -57.2 58.0 31.0 13.2 36.1 -1.9 17 17 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.495 116.6 113.4 78.6 3.4 9.8 36.7 -3.4 18 18 A Q E < -D 15 0B 77 -3,-2.3 -3,-2.5 2,-0.0 2,-0.4 -0.893 62.6-133.9-112.6 141.2 8.6 33.3 -2.1 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.736 34.5 165.7 -88.4 135.6 5.9 32.4 0.5 20 20 A K E -D 13 0B 32 -7,-2.3 -7,-3.0 -2,-0.4 2,-0.4 -0.963 36.7-118.1-141.9 161.0 7.0 29.8 3.0 21 21 A E E +D 12 0B 125 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.867 39.5 179.0 -96.3 137.9 5.8 28.4 6.3 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.5 -0.971 27.5-118.0-144.5 157.7 8.2 28.8 9.2 23 23 A L E -Df 10 84B 13 60,-2.9 62,-3.0 -2,-0.3 2,-0.8 -0.798 20.4-133.4 -98.2 125.6 8.6 28.1 12.9 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.698 36.5-174.6 -78.6 110.5 9.0 31.0 15.4 25 25 A D > + 0 0 16 60,-2.8 3,-1.6 -2,-0.8 62,-0.3 -0.852 30.7 178.7-126.8 97.8 11.8 29.5 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.682 86.6 64.2 -66.0 -18.6 13.2 31.1 20.6 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.496 87.8 84.2 -80.2 -6.9 15.6 28.1 20.8 28 28 A A < - 0 0 16 -3,-1.6 59,-3.0 57,-0.2 60,-0.2 -0.867 56.4-164.9-105.4 128.1 17.4 29.0 17.6 29 29 A D S S+ 0 0 53 -2,-0.5 59,-0.9 57,-0.2 2,-0.3 0.821 78.9 39.2 -68.7 -34.8 20.2 31.5 17.5 30 30 A D S S- 0 0 42 57,-0.1 2,-0.5 58,-0.1 57,-0.2 -0.747 81.3-114.9-119.7 160.6 19.9 31.7 13.7 31 31 A T - 0 0 1 43,-0.5 45,-2.8 -2,-0.3 2,-0.4 -0.878 33.9-170.2 -99.5 129.9 17.3 31.7 11.0 32 32 A V E -gH 76 84B 6 52,-2.0 52,-3.2 -2,-0.5 2,-0.4 -0.988 4.4-174.1-132.5 122.9 17.5 28.6 8.7 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 3,-0.2 -0.903 29.3-106.5-120.6 143.9 15.5 28.2 5.5 34 34 A E - 0 0 70 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.089 68.3 -52.9 -58.2 164.6 15.2 25.2 3.2 35 35 A E S S+ 0 0 113 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.112 81.1 131.4 -53.5 131.4 17.1 25.2 -0.1 36 36 A M - 0 0 15 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.949 56.0 -93.6-165.3 164.8 16.3 28.3 -2.2 37 37 A S + 0 0 98 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.726 39.0 177.5 -89.3 139.9 18.2 31.0 -4.1 38 38 A L - 0 0 20 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.969 28.0-108.7-134.4 156.5 19.2 34.3 -2.4 39 39 A P + 0 0 95 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.439 70.0 28.5 -82.5 159.7 21.2 37.2 -3.8 40 40 A G S S- 0 0 66 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.219 93.8 -37.4 93.4-179.5 24.6 38.3 -2.8 41 41 A R - 0 0 240 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.367 55.2-169.8 -76.3 159.4 27.7 36.7 -1.5 42 42 A W E -I 59 0B 132 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.962 12.5-155.2-145.2 164.2 27.6 33.8 1.0 43 43 A K E -I 58 0B 112 15,-1.5 15,-3.0 -2,-0.3 2,-0.1 -0.982 30.9-103.1-136.9 151.6 30.0 31.8 3.2 44 44 A P E +I 57 0B 77 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.396 38.1 179.2 -75.9 153.5 29.6 28.3 4.5 45 45 A K E -I 56 0B 69 11,-2.2 11,-2.9 -2,-0.1 2,-0.4 -0.985 22.9-139.0-145.7 150.6 28.6 27.6 8.1 46 46 A M E -I 55 0B 116 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.964 22.0-170.3-109.8 133.7 28.0 24.5 10.3 47 47 A I E -I 54 0B 16 7,-2.4 7,-2.2 -2,-0.4 2,-0.3 -0.966 4.9-156.7-127.1 142.9 25.1 24.7 12.7 48 48 A G E +I 53 0B 43 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.868 27.7 123.8-130.1 151.6 24.3 22.2 15.3 49 49 A G E > -I 52 0B 21 3,-2.0 3,-2.3 -2,-0.3 2,-0.2 -0.784 67.1 -6.1-167.5-152.9 21.3 21.0 17.3 50 50 A I T 3 S+ 0 0 19 1,-0.3 101,-2.5 -2,-0.2 102,-0.6 -0.461 133.2 18.1 -62.4 130.2 19.5 17.8 18.1 51 51 A G T 3 S- 0 0 29 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.355 121.8 -87.4 87.9 -5.5 21.0 15.1 15.9 52 52 A G E < -I 49 0B 26 -3,-2.3 -3,-2.0 100,-0.1 2,-0.3 -0.783 66.4 -25.2 109.5-151.0 24.2 17.0 15.1 53 53 A F E -I 48 0B 134 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.742 37.4-166.0-111.5 152.2 25.3 19.5 12.5 54 54 A I E -I 47 0B 21 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.4 -0.964 25.3-120.2-127.3 154.4 24.4 20.5 9.0 55 55 A K E +I 46 0B 145 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.775 38.5 172.6 -91.8 133.4 26.3 22.6 6.5 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.852 34.0-112.2-133.8 166.9 24.5 25.8 5.3 57 57 A R E -IJ 44 77B 51 20,-2.6 20,-2.3 -2,-0.3 2,-0.6 -0.930 29.0-142.6-101.7 130.4 25.1 28.9 3.2 58 58 A Q E -IJ 43 76B 31 -15,-3.0 -15,-1.5 -2,-0.5 2,-0.4 -0.853 18.6-177.1 -99.8 117.6 25.2 32.1 5.2 59 59 A Y E -IJ 42 75B 12 16,-2.7 16,-2.7 -2,-0.6 3,-0.3 -0.933 12.5-150.2-110.7 133.8 23.7 35.2 3.4 60 60 A D E + 0 0 74 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.632 68.5 22.8-102.2 158.2 23.8 38.6 5.1 61 61 A Q E S+ 0 0 140 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.897 79.0 154.8 59.9 45.2 21.4 41.5 4.9 62 62 A I E - J 0 73B 11 11,-2.7 11,-1.9 -3,-0.3 2,-0.4 -0.848 35.9-136.1-100.2 144.3 18.4 39.5 3.7 63 63 A I E - J 0 72B 98 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.790 20.4-179.4-102.9 133.8 14.8 40.7 4.3 64 64 A I E -EJ 15 71B 0 7,-2.4 7,-1.8 -2,-0.4 2,-0.7 -0.997 21.3-145.3-124.9 128.0 12.0 38.4 5.5 65 65 A E E -EJ 14 70B 70 -51,-2.5 -51,-2.2 -2,-0.4 2,-0.6 -0.895 22.5-164.0 -85.6 120.1 8.5 39.5 6.1 66 66 A I E > -EJ 13 69B 0 3,-3.0 3,-2.3 -2,-0.7 -53,-0.2 -0.945 67.6 -29.7-115.9 109.4 7.4 37.4 9.1 67 67 A A T 3 S- 0 0 42 -55,-2.6 -1,-0.2 -2,-0.6 -54,-0.1 0.877 129.9 -44.4 48.7 42.9 3.6 37.3 9.7 68 68 A G T 3 S+ 0 0 54 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.381 118.3 111.2 88.4 -5.0 3.4 40.8 8.1 69 69 A H E < - J 0 66B 70 -3,-2.3 -3,-3.0 2,-0.0 2,-0.2 -0.914 62.4-136.6-109.3 118.5 6.5 42.3 9.9 70 70 A K E + J 0 65B 160 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.2 -0.518 27.3 173.5 -79.3 132.9 9.6 43.1 7.9 71 71 A A E - J 0 64B 6 -7,-1.8 -7,-2.4 -2,-0.2 2,-0.4 -0.981 16.0-154.1-133.6 136.8 13.0 42.1 9.4 72 72 A I E + J 0 63B 73 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.969 40.6 97.2-114.7 140.7 16.5 42.3 7.9 73 73 A G E - 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