==== 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 16-APR-98 1A94 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WU,J.M.ADOMAT,T.W.RIDKY,J.M.LOUIS,J.LEIS,R.W.HARRISON,I.T. . 398 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 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 . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 54 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 RESIDUES PER ALPHA HELIX . 0 5 3 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 . 4 2 8 0 0 5 3 4 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 2 0 0 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 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 86 0, 0.0 198,-1.4 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 128.1 66.4 10.7 11.7 2 2 A Q E -A 198 0A 136 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.932 360.0-159.0 -99.7 104.4 66.3 14.5 11.8 3 3 A I E -A 197 0A 38 194,-3.9 194,-2.3 -2,-0.8 2,-0.1 -0.793 2.6-156.1 -93.5 115.7 63.1 15.2 13.8 4 4 A T E -A 196 0A 77 -2,-0.6 3,-0.3 192,-0.2 192,-0.2 -0.436 17.0-129.5 -79.0 165.2 61.5 18.6 13.3 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.098 75.2 105.3-111.7 28.3 59.3 19.9 16.1 6 6 A W S S+ 0 0 174 185,-0.1 2,-0.2 184,-0.1 -1,-0.2 0.844 90.9 36.2 -71.9 -35.0 56.0 21.0 14.5 7 7 A K S S- 0 0 179 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.677 111.6 -83.1-109.3 167.1 54.4 17.9 15.9 8 8 A R - 0 0 101 -2,-0.2 2,-2.1 1,-0.1 119,-0.1 -0.519 50.4-110.0 -65.4 136.2 55.2 16.3 19.2 9 9 A P + 0 0 3 0, 0.0 15,-2.1 0, 0.0 2,-0.3 -0.452 49.9 175.3 -75.4 80.0 58.2 14.1 18.8 10 10 A L E +D 23 0B 69 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.673 4.0 178.0 -89.0 138.3 56.6 10.7 19.2 11 11 A V E -D 22 0B 15 11,-2.9 11,-2.6 -2,-0.3 2,-0.4 -0.917 29.8-115.4-136.6 149.7 58.7 7.5 18.7 12 12 A T E -D 21 0B 81 -2,-0.3 55,-2.5 9,-0.2 2,-0.3 -0.761 35.9-176.3 -88.7 137.6 57.9 3.8 19.0 13 13 A I E -DE 20 66B 2 7,-3.2 7,-2.4 -2,-0.4 2,-0.5 -0.902 20.2-143.5-127.7 161.3 59.7 1.9 21.7 14 14 A K E +DE 19 65B 92 51,-1.8 51,-1.8 -2,-0.3 2,-0.4 -0.960 24.4 171.1-129.5 110.1 59.8 -1.7 22.7 15 15 A I E > S-DE 18 64B 0 3,-3.3 3,-2.8 -2,-0.5 49,-0.1 -0.980 70.3 -7.7-123.8 130.5 60.0 -2.4 26.4 16 16 A G T 3 S- 0 0 53 47,-0.6 -1,-0.1 -2,-0.4 3,-0.1 0.731 130.3 -55.8 58.5 29.5 59.7 -5.9 28.0 17 17 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 -3,-0.0 -1,-0.3 0.364 118.1 119.2 84.6 -5.8 58.8 -7.2 24.6 18 18 A Q E < -D 15 0B 104 -3,-2.8 -3,-3.3 0, 0.0 2,-0.4 -0.812 59.2-139.4 -98.0 134.0 56.0 -4.6 24.5 19 19 A L E +D 14 0B 106 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.722 32.6 159.0 -92.2 136.4 55.6 -1.9 21.9 20 20 A K E -D 13 0B 42 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.4 -0.910 38.0-111.2-144.9 171.7 54.6 1.6 23.1 21 21 A E E +D 12 0B 114 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.885 35.9 179.3-110.0 141.4 54.8 5.2 22.0 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.5 -0.980 27.3-123.0-143.9 154.6 57.0 7.7 23.8 23 23 A L E -Df 10 84B 2 60,-2.8 62,-2.6 -2,-0.3 2,-0.7 -0.859 23.4-131.7-100.8 128.5 58.0 11.3 23.5 24 24 A L E - f 0 85B 0 -15,-2.1 2,-0.6 -2,-0.5 62,-0.1 -0.725 34.3-172.3 -78.0 114.5 61.7 12.1 23.1 25 25 A D > - 0 0 0 60,-2.4 3,-1.2 -2,-0.7 62,-0.1 -0.907 26.8-173.8-123.7 112.4 62.0 14.8 25.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.2 -1,-0.1 0.582 86.6 62.3 -78.0 -7.2 65.2 16.8 26.2 27 27 A G T 3 S+ 0 0 21 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.278 88.1 87.1 -95.5 6.2 63.8 18.5 29.3 28 28 A A < - 0 0 15 -3,-1.2 59,-2.3 57,-0.2 60,-0.1 -0.935 58.2-164.5-107.7 132.0 63.6 15.2 31.2 29 29 A D S S+ 0 0 50 -2,-0.5 59,-1.7 57,-0.2 2,-0.2 0.882 77.7 28.2 -76.4 -35.1 66.7 13.9 33.0 30 30 A D S S- 0 0 72 57,-0.2 2,-0.5 56,-0.2 57,-0.1 -0.568 83.2-103.4-121.5 179.3 65.1 10.5 33.2 31 31 A T - 0 0 0 43,-0.3 45,-3.4 -2,-0.2 2,-0.5 -0.911 30.6-174.6-115.0 115.7 62.8 8.1 31.5 32 32 A V E -gH 76 84B 5 52,-0.9 52,-3.2 -2,-0.5 2,-0.3 -0.926 1.2-171.9-119.7 126.6 59.3 7.5 32.9 33 33 A I E -g 77 0B 0 43,-2.8 45,-2.6 -2,-0.5 3,-0.1 -0.893 31.8 -99.4-115.6 143.6 56.9 5.0 31.5 34 34 A E - 0 0 54 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.215 64.1 -64.1 -56.0 157.4 53.2 4.5 32.4 35 35 A E S S+ 0 0 102 43,-0.4 2,-0.3 42,-0.1 -1,-0.2 -0.124 76.7 140.5 -49.7 129.2 52.3 1.8 34.8 36 36 A M - 0 0 26 -3,-0.1 2,-0.5 2,-0.0 -3,-0.0 -0.947 55.9 -92.6-162.5 165.7 53.1 -1.7 33.4 37 37 A S + 0 0 113 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.858 43.3 179.3 -92.3 127.7 54.6 -5.0 34.6 38 38 A L - 0 0 13 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.997 31.2-115.7-130.4 128.6 58.3 -5.2 34.1 39 39 A P S S+ 0 0 106 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.435 72.3 45.5 -65.3 138.6 60.3 -8.2 35.0 40 40 A G S S- 0 0 60 -2,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.658 87.6 -50.0 128.6 174.9 62.8 -7.4 37.8 41 41 A R - 0 0 183 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.606 50.7-172.1 -85.3 154.6 63.6 -5.9 41.1 42 42 A W - 0 0 106 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.980 16.0-145.9-154.3 139.9 62.6 -2.3 41.6 43 43 A E E -I 58 0B 55 15,-2.0 15,-2.3 -2,-0.3 2,-0.2 -0.911 30.4-110.6-110.1 132.0 63.3 0.4 44.2 44 44 A P E +I 57 0B 96 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.435 46.4 167.4 -64.7 127.9 60.6 3.0 45.2 45 45 A K E -I 56 0B 88 11,-2.8 11,-3.3 -2,-0.2 2,-0.4 -0.881 28.7-136.5-136.9 170.8 61.5 6.6 44.1 46 46 A M E +I 55 0B 100 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.983 20.2 177.5-130.5 136.9 60.0 10.0 43.7 47 47 A I E -I 54 0B 30 7,-2.1 7,-2.9 -2,-0.4 2,-0.3 -0.929 13.2-147.0-134.6 159.7 60.5 12.5 40.8 48 48 A G E +I 53 0B 42 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.886 19.7 160.4-129.4 162.4 59.0 15.9 40.1 49 49 A G E > -I 52 0B 28 3,-2.5 3,-0.7 101,-0.4 100,-0.1 -0.777 60.5 -42.8-154.2-161.0 58.0 17.9 37.2 50 50 A I T 3 S+ 0 0 18 1,-0.3 101,-0.1 -2,-0.2 103,-0.1 0.923 134.3 36.2 -45.9 -59.2 55.9 20.9 36.3 51 51 A G T 3 S- 0 0 23 99,-0.7 2,-0.3 101,-0.4 -1,-0.3 0.719 121.5 -97.2 -72.8 -17.9 52.9 20.0 38.4 52 52 A G E < -I 49 0B 22 98,-1.2 -3,-2.5 -3,-0.7 2,-0.3 -0.986 61.9 -14.7 145.0-149.7 54.9 18.6 41.3 53 53 A F E -I 48 0B 158 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.739 44.3-174.4-101.5 139.4 56.0 15.2 42.6 54 54 A I E -I 47 0B 19 -7,-2.9 -7,-2.1 -2,-0.3 2,-0.4 -0.934 26.8-117.9-129.0 150.3 54.9 11.6 41.7 55 55 A K E +I 46 0B 161 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.737 38.4 178.4 -86.3 131.2 55.8 8.2 43.2 56 56 A V E -I 45 0B 7 -11,-3.3 -11,-2.8 -2,-0.4 2,-0.5 -0.850 31.4-120.7-131.0 162.9 57.6 5.8 40.7 57 57 A R E -IJ 44 77B 39 20,-2.3 20,-2.2 -2,-0.3 2,-0.7 -0.895 32.9-138.3 -99.7 131.9 59.0 2.3 40.7 58 58 A Q E -IJ 43 76B 40 -15,-2.3 -15,-2.0 -2,-0.5 2,-0.4 -0.864 20.1-175.2-104.3 119.4 62.7 2.4 39.8 59 59 A Y E - J 0 75B 7 16,-2.4 16,-2.5 -2,-0.7 3,-0.3 -0.887 11.6-151.4-108.5 132.5 64.1 -0.3 37.4 60 60 A D E + 0 0 73 -2,-0.4 14,-0.1 -19,-0.4 13,-0.1 -0.614 66.4 5.7-101.4 161.3 67.8 -0.4 36.6 61 61 A Q E S+ 0 0 137 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.811 78.0 169.4 33.8 54.9 69.6 -1.7 33.6 62 62 A I E - J 0 73B 25 11,-3.0 11,-2.5 -3,-0.3 2,-0.4 -0.736 34.4-125.4 -93.9 140.1 66.5 -2.3 31.5 63 63 A I E + J 0 72B 105 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.731 38.0 172.0 -83.4 132.7 67.0 -3.1 27.8 64 64 A I E -EJ 15 71B 1 7,-3.1 7,-1.7 -2,-0.4 2,-0.6 -0.996 25.9-147.4-149.2 133.2 64.9 -0.7 25.7 65 65 A E E -EJ 14 70B 87 -51,-1.8 -51,-1.8 -2,-0.4 2,-0.6 -0.908 13.3-170.0-105.6 120.1 64.7 -0.1 22.0 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-2.3 -2,-0.6 -53,-0.2 -0.923 74.6 -29.0-111.9 109.2 63.9 3.4 20.9 67 67 A A T 3 S- 0 0 44 -55,-2.5 -1,-0.2 -2,-0.6 -54,-0.1 0.887 127.5 -46.5 53.1 39.6 63.2 3.8 17.2 68 68 A G T 3 S+ 0 0 54 1,-0.3 2,-0.4 -56,-0.2 -1,-0.3 0.143 118.0 110.6 91.1 -21.2 65.4 0.8 16.4 69 69 A H E < - 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