==== 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 2ZYE . 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) . 10124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 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 . 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 . 23 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 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 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 90 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.7 -0.5 39.0 18.0 2 2 A Q E -A 198 0A 152 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.985 360.0-158.9-106.7 122.9 -0.3 36.8 21.2 3 3 A I E -A 197 0A 34 194,-3.5 194,-2.2 -2,-0.5 2,-0.1 -0.915 1.9-151.4-113.4 119.1 0.7 33.3 20.1 4 4 A T - 0 0 73 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.397 13.9-132.6 -82.4 165.0 -0.1 30.3 22.4 5 5 A L S S+ 0 0 4 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.175 73.6 108.2-114.1 23.2 2.1 27.3 22.4 6 6 A W S S+ 0 0 186 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.811 93.2 26.8 -62.4 -30.9 -0.3 24.4 22.2 7 7 A K S S- 0 0 166 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.835 109.5 -73.5-128.0 165.6 0.9 24.0 18.7 8 8 A R - 0 0 165 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.373 49.9-118.8 -55.5 134.0 4.1 24.8 16.8 9 9 A P + 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.493 48.0 169.7 -84.0 84.5 4.4 28.6 16.3 10 10 A L E +D 23 0B 66 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.691 5.1 171.9 -99.6 133.9 4.4 28.6 12.5 11 11 A V E -D 22 0B 20 11,-2.3 11,-2.5 -2,-0.3 2,-0.4 -0.938 34.4-101.8-135.9 160.7 4.0 31.9 10.5 12 12 A T E -D 21 0B 83 -2,-0.3 55,-2.4 9,-0.2 2,-0.3 -0.739 37.9-176.1 -85.8 137.9 4.3 33.0 6.9 13 13 A I E -DE 20 66B 2 7,-2.9 7,-2.3 -2,-0.4 2,-0.5 -0.920 18.3-143.9-126.7 157.6 7.4 34.8 5.8 14 14 A K E +DE 19 65B 100 51,-2.0 51,-2.2 -2,-0.3 2,-0.4 -0.985 28.4 161.1-124.3 123.5 8.4 36.4 2.6 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.3 -2,-0.5 49,-0.1 -0.987 66.0 -5.4-143.1 132.4 12.0 36.1 1.5 16 16 A G T 3 S- 0 0 51 47,-0.5 3,-0.1 -2,-0.4 21,-0.1 0.817 128.8 -56.6 57.3 31.8 13.7 36.6 -1.9 17 17 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.336 116.5 112.1 82.2 -7.0 10.2 37.0 -3.5 18 18 A Q E < -D 15 0B 98 -3,-2.3 -3,-2.6 0, 0.0 2,-0.4 -0.799 61.9-136.9-106.3 137.6 9.1 33.6 -2.1 19 19 A L E +D 14 0B 121 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.842 33.5 166.3 -85.4 134.3 6.4 32.8 0.5 20 20 A K E -D 13 0B 29 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.4 -0.915 36.5-116.7-143.6 161.0 7.4 30.1 3.0 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.841 39.6 178.4 -96.5 138.2 6.2 28.8 6.4 22 22 A A E -D 11 0B 1 -11,-2.5 -11,-2.3 -2,-0.4 2,-0.4 -0.994 27.5-115.5-145.1 158.1 8.7 29.1 9.3 23 23 A L E -Df 10 84B 16 60,-2.9 62,-2.9 -2,-0.3 2,-0.8 -0.716 19.9-133.7 -94.3 128.3 9.0 28.4 13.0 24 24 A L E - f 0 85B 1 -15,-2.6 2,-0.6 -2,-0.4 62,-0.2 -0.764 35.5-174.5 -80.0 114.2 9.3 31.2 15.5 25 25 A D > - 0 0 22 60,-2.8 3,-1.4 -2,-0.8 62,-0.3 -0.855 29.1-179.7-131.6 101.1 12.1 29.8 17.6 26 26 A T T 3 S+ 0 0 2 -2,-0.6 -1,-0.2 1,-0.3 98,-0.1 0.712 86.4 62.9 -70.1 -15.7 13.4 31.4 20.8 27 27 A G T 3 S+ 0 0 21 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.533 87.0 87.6 -82.8 -9.4 16.0 28.6 21.2 28 28 A A < - 0 0 17 -3,-1.4 59,-2.8 57,-0.2 60,-0.2 -0.870 55.3-167.0 -97.8 128.1 17.8 29.5 18.0 29 29 A D S S+ 0 0 43 -2,-0.5 59,-0.9 57,-0.2 2,-0.2 0.835 78.5 36.5 -71.0 -35.0 20.6 32.0 17.9 30 30 A D S S- 0 0 50 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.705 82.5-113.3-120.3 163.1 20.4 32.2 14.1 31 31 A T - 0 0 0 43,-0.4 45,-2.6 -2,-0.2 2,-0.4 -0.879 31.8-170.6-103.8 126.8 17.9 32.1 11.3 32 32 A V E -gH 76 84B 9 52,-1.8 52,-3.0 -2,-0.5 2,-0.3 -0.986 3.1-174.9-129.8 121.9 18.1 29.1 9.1 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 3,-0.2 -0.911 31.8 -99.4-120.7 146.0 16.2 28.7 5.8 34 34 A E - 0 0 68 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.083 64.5 -63.1 -58.6 158.9 15.9 25.7 3.4 35 35 A E S S+ 0 0 100 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.206 77.2 136.8 -57.9 130.0 18.1 25.7 0.2 36 36 A M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.940 54.9 -94.1-163.8 162.7 17.1 28.6 -2.1 37 37 A S + 0 0 100 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.768 40.1 176.3 -94.7 134.8 18.9 31.1 -4.2 38 38 A L - 0 0 15 -2,-0.4 2,-0.2 2,-0.1 -2,-0.0 -0.982 32.0-107.3-130.5 153.9 19.7 34.5 -2.8 39 39 A P S S+ 0 0 107 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.512 71.3 32.6 -78.2 140.8 21.6 37.4 -4.3 40 40 A G S S- 0 0 63 -2,-0.2 2,-0.2 19,-0.1 -2,-0.1 -0.510 89.0 -37.1 123.3-171.7 25.0 38.3 -3.0 41 41 A R - 0 0 226 -2,-0.2 19,-0.5 19,-0.1 2,-0.3 -0.614 52.7-171.0 -90.1 140.7 28.2 37.1 -1.5 42 42 A W E -I 59 0B 85 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.941 13.4-150.2-128.4 163.9 28.2 34.3 1.1 43 43 A K E -I 58 0B 115 15,-1.6 15,-2.8 -2,-0.3 2,-0.1 -0.968 28.8-110.2-128.7 146.3 30.6 32.6 3.5 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.445 40.0 173.3 -79.6 149.4 30.5 29.1 4.7 45 45 A K E -I 56 0B 76 11,-2.0 11,-2.5 -2,-0.1 2,-0.4 -0.989 25.6-137.8-148.2 152.0 29.5 28.3 8.4 46 46 A M E -I 55 0B 65 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.978 21.1-172.6-114.4 137.1 28.8 25.2 10.5 47 47 A I E -I 54 0B 20 7,-2.1 7,-2.3 -2,-0.4 2,-0.4 -0.941 6.0-156.8-129.6 142.4 25.9 25.3 13.0 48 48 A G E +I 53 0B 42 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.913 25.7 132.0-127.7 149.1 25.0 22.7 15.5 49 49 A G E > -I 52 0B 23 3,-2.1 3,-1.8 -2,-0.4 2,-0.2 -0.740 66.1 -10.2-158.0-143.4 22.0 21.5 17.5 50 50 A I T 3 S+ 0 0 22 1,-0.3 101,-2.0 -2,-0.2 102,-0.6 -0.415 133.1 19.9 -70.0 126.1 20.3 18.2 18.4 51 51 A G T 3 S- 0 0 33 128,-0.3 2,-0.3 100,-0.2 -1,-0.3 0.182 121.5 -85.9 103.4 -19.3 21.9 15.6 16.2 52 52 A G E < -I 49 0B 27 -3,-1.8 -3,-2.1 100,-0.1 2,-0.3 -0.885 65.2 -26.2 118.0-151.9 25.1 17.4 15.4 53 53 A F E -I 48 0B 154 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.756 39.0-170.0-113.1 149.8 26.3 20.0 12.8 54 54 A I E -I 47 0B 27 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.4 -0.944 25.7-117.1-128.4 160.3 25.4 21.0 9.3 55 55 A K E +I 46 0B 147 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.784 38.0 173.1 -99.0 136.3 27.1 23.3 6.8 56 56 A V E -I 45 0B 3 -11,-2.5 -11,-2.0 -2,-0.4 2,-0.5 -0.868 32.8-114.6-134.8 164.8 25.3 26.4 5.6 57 57 A R E -IJ 44 77B 60 20,-2.6 20,-2.5 -2,-0.3 2,-0.6 -0.921 28.4-141.6-103.5 126.1 25.8 29.5 3.6 58 58 A Q E -IJ 43 76B 33 -15,-2.8 -15,-1.6 -2,-0.5 2,-0.5 -0.832 16.8-172.9 -92.6 116.7 25.8 32.8 5.4 59 59 A Y E -IJ 42 75B 7 16,-2.9 16,-2.5 -2,-0.6 3,-0.3 -0.910 12.3-148.0-106.9 132.5 24.1 35.8 3.7 60 60 A D E + 0 0 76 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.607 67.9 14.4 -98.5 153.6 24.3 39.2 5.3 61 61 A Q E S+ 0 0 180 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.880 77.6 163.8 58.4 45.1 21.8 42.1 5.2 62 62 A I E - J 0 73B 18 11,-2.5 11,-2.0 -3,-0.3 2,-0.4 -0.773 33.0-133.5 -93.3 141.8 18.8 40.2 3.9 63 63 A I E + J 0 72B 113 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.802 27.4 176.0 -97.4 131.8 15.3 41.6 4.1 64 64 A I E -EJ 15 71B 0 7,-2.3 7,-2.2 -2,-0.4 2,-0.6 -0.999 24.6-144.3-136.6 135.3 12.6 39.3 5.4 65 65 A E E -EJ 14 70B 68 -51,-2.2 -51,-2.0 -2,-0.4 2,-0.6 -0.871 17.8-164.6-101.2 119.4 8.9 40.0 6.1 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.2 -2,-0.6 -53,-0.2 -0.947 72.9 -29.8-110.4 109.1 7.8 38.0 9.2 67 67 A A T 3 S- 0 0 45 -55,-2.4 -1,-0.2 -2,-0.6 -54,-0.1 0.904 130.1 -44.4 43.0 48.7 3.9 37.8 9.5 68 68 A G T 3 S+ 0 0 57 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.463 117.1 112.5 83.8 2.5 3.8 41.2 7.8 69 69 A H E < - J 0 66B 76 -3,-2.2 -3,-3.1 2,-0.0 2,-0.2 -0.914 61.0-134.8-109.3 127.2 6.7 42.9 9.8 70 70 A K E + J 0 65B 155 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.560 30.1 167.7 -79.9 139.2 10.0 43.8 7.9 71 71 A A E - J 0 64B 8 -7,-2.2 -7,-2.3 -2,-0.2 2,-0.4 -0.966 21.3-146.4-139.7 161.1 13.3 42.9 9.5 72 72 A I E + J 0 63B 46 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.976 38.8 105.4-129.4 140.8 16.8 42.9 8.2 73 73 A G E - 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