==== 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 26-MAY-09 3A2O . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.ADACHI,T.TAMADA,K.HIDAKA,T.KIMURA,Y.KISO,R.KUROKI . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10172.0 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 . 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 . 23 11.6 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 81 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 171.9 -0.1 38.7 18.0 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.955 360.0-162.6-103.1 120.4 -0.0 36.5 21.1 3 3 A I E -A 197 0A 34 194,-3.3 194,-2.6 -2,-0.5 2,-0.1 -0.939 4.6-148.6-110.5 117.8 0.9 33.0 20.0 4 4 A T - 0 0 68 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.284 11.9-133.7 -76.2 168.6 0.2 30.1 22.3 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.152 72.5 109.4-118.8 19.5 2.4 27.0 22.4 6 6 A W S S+ 0 0 192 184,-0.1 2,-0.3 185,-0.1 -1,-0.1 0.833 93.7 17.9 -62.1 -32.6 -0.1 24.2 22.4 7 7 A K S S- 0 0 169 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.830 112.9 -64.3-128.4 171.0 1.0 23.4 18.8 8 8 A R - 0 0 128 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.323 51.5-120.0 -58.6 134.2 4.2 24.4 16.9 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.500 47.6 170.6 -82.4 78.8 4.3 28.2 16.4 10 10 A L E +D 23 0B 68 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.740 5.8 173.0 -91.4 140.5 4.3 28.2 12.6 11 11 A V E -D 22 0B 19 11,-2.6 11,-2.7 -2,-0.3 2,-0.4 -0.901 34.1-102.9-137.4 165.1 4.0 31.4 10.5 12 12 A T E -D 21 0B 88 -2,-0.3 55,-2.7 9,-0.2 2,-0.3 -0.755 37.4-171.5 -90.2 135.8 4.2 32.4 6.9 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.3 -2,-0.4 2,-0.5 -0.887 18.1-144.5-121.4 155.9 7.3 34.2 5.8 14 14 A K E +DE 19 65B 111 51,-2.4 51,-2.6 -2,-0.3 2,-0.3 -0.994 32.6 157.6-118.9 123.5 8.2 36.0 2.6 15 15 A I E > -DE 18 64B 1 3,-2.5 3,-2.3 -2,-0.5 49,-0.1 -0.989 63.8 -2.6-147.7 131.1 11.8 35.6 1.6 16 16 A G T 3 S- 0 0 44 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.809 128.9 -57.0 60.4 29.3 13.6 35.9 -1.7 17 17 A G T 3 S+ 0 0 69 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.493 118.0 108.5 79.2 4.3 10.2 36.5 -3.4 18 18 A Q E < -D 15 0B 76 -3,-2.3 -3,-2.5 2,-0.0 2,-0.4 -0.830 64.9-131.2-116.9 149.1 8.8 33.2 -2.1 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.840 34.5 166.5 -97.1 134.4 6.3 32.3 0.6 20 20 A K E -D 13 0B 31 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.963 35.5-120.3-139.6 160.6 7.3 29.6 3.1 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.853 38.5 178.6 -98.8 140.1 6.1 28.3 6.4 22 22 A A E -D 11 0B 1 -11,-2.7 -11,-2.6 -2,-0.4 2,-0.5 -0.980 27.7-116.8-146.6 156.2 8.6 28.6 9.2 23 23 A L E -Df 10 84B 12 60,-2.7 62,-3.0 -2,-0.3 2,-0.8 -0.789 21.5-131.6 -95.6 126.8 8.9 27.8 13.0 24 24 A L E - f 0 85B 1 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.695 37.1-174.7 -77.1 109.5 9.3 30.6 15.5 25 25 A D > + 0 0 16 60,-2.8 3,-1.5 -2,-0.8 62,-0.3 -0.860 28.3 179.9-125.0 97.6 12.2 29.1 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.658 85.4 63.6 -67.2 -18.2 13.6 30.7 20.5 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.523 87.7 84.0 -80.2 -8.9 16.1 27.8 20.8 28 28 A A < - 0 0 15 -3,-1.5 59,-3.0 57,-0.2 60,-0.2 -0.843 57.8-164.2-101.3 127.5 17.8 28.7 17.6 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.846 79.1 36.5 -67.9 -36.7 20.5 31.4 17.5 30 30 A D S S- 0 0 43 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.726 84.1-110.5-120.0 163.2 20.3 31.6 13.7 31 31 A T - 0 0 1 43,-0.5 45,-2.7 -2,-0.2 2,-0.4 -0.860 33.6-170.4 -99.3 132.1 17.6 31.5 11.0 32 32 A V E -gH 76 84B 6 52,-1.9 52,-3.3 -2,-0.4 2,-0.4 -0.990 4.3-176.2-134.2 124.9 17.8 28.4 8.8 33 33 A I E -g 77 0B 0 43,-2.8 45,-2.2 -2,-0.4 47,-0.2 -0.928 30.4-104.8-124.8 146.2 15.8 27.8 5.6 34 34 A E - 0 0 81 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.069 69.3 -51.7 -57.5 165.4 15.5 24.8 3.2 35 35 A E S S+ 0 0 115 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.104 80.6 132.5 -55.6 131.7 17.3 25.0 -0.1 36 36 A M - 0 0 15 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.949 55.1 -94.4-164.4 164.6 16.5 28.1 -2.1 37 37 A S + 0 0 97 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.729 38.3 178.1 -89.6 141.5 18.4 30.8 -4.0 38 38 A L - 0 0 19 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.970 27.7-108.9-136.9 154.6 19.3 34.1 -2.4 39 39 A P S S+ 0 0 95 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.400 70.6 27.7 -80.3 161.3 21.2 37.1 -3.7 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.241 94.6 -36.2 91.9-177.1 24.7 38.2 -2.8 41 41 A R - 0 0 243 -2,-0.1 19,-0.6 19,-0.1 2,-0.3 -0.372 55.0-169.6 -78.1 157.7 27.8 36.6 -1.6 42 42 A W E -I 59 0B 133 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.964 11.2-156.2-141.3 166.0 27.8 33.7 0.9 43 43 A K E -I 58 0B 112 15,-1.4 15,-3.0 -2,-0.3 2,-0.1 -0.980 30.8-101.9-138.9 151.1 30.2 31.7 3.0 44 44 A P E +I 57 0B 88 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.402 39.8 177.3 -75.7 152.3 29.9 28.2 4.4 45 45 A K E -I 56 0B 67 11,-2.2 11,-2.8 -2,-0.1 2,-0.4 -0.988 23.8-138.2-146.2 151.7 29.0 27.5 8.0 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.964 21.3-173.9-110.8 132.5 28.4 24.5 10.2 47 47 A I E -I 54 0B 18 7,-2.3 7,-2.3 -2,-0.4 2,-0.3 -0.960 7.2-167.0-123.7 144.2 25.4 24.6 12.7 48 48 A G E +I 53 0B 42 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.878 23.9 125.2-136.0 163.8 24.7 22.0 15.3 49 49 A G E > +I 52 0B 22 3,-1.7 3,-2.5 -2,-0.3 2,-0.2 -0.814 69.1 3.0-175.1-148.2 22.1 20.8 17.7 50 50 A I T 3 S+ 0 0 23 1,-0.3 101,-2.4 -2,-0.2 102,-0.6 -0.434 133.6 18.8 -60.2 131.5 20.3 17.5 18.4 51 51 A G T 3 S- 0 0 31 128,-0.3 2,-0.3 100,-0.3 -1,-0.3 0.373 121.3 -93.1 85.8 -3.4 21.8 14.9 16.0 52 52 A G E < -I 49 0B 26 -3,-2.5 -3,-1.7 100,-0.1 2,-0.3 -0.716 64.4 -22.2 106.9-152.8 24.9 16.9 15.3 53 53 A F E -I 48 0B 143 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.731 38.0-165.8-110.8 152.4 25.9 19.4 12.6 54 54 A I E -I 47 0B 22 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -0.955 25.4-119.8-128.6 154.0 24.9 20.3 9.1 55 55 A K E +I 46 0B 142 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.788 38.5 172.2 -93.6 133.5 26.6 22.5 6.5 56 56 A V E -I 45 0B 3 -11,-2.8 -11,-2.2 -2,-0.4 2,-0.5 -0.843 34.2-111.7-133.7 166.8 24.8 25.6 5.3 57 57 A R E -IJ 44 77B 49 20,-2.6 20,-2.3 -2,-0.3 2,-0.6 -0.925 29.2-142.9-101.3 129.4 25.4 28.7 3.2 58 58 A Q E -IJ 43 76B 30 -15,-3.0 -15,-1.4 -2,-0.5 2,-0.4 -0.857 18.2-176.7 -99.2 118.2 25.4 32.0 5.1 59 59 A Y E -IJ 42 75B 12 16,-2.6 16,-2.7 -2,-0.6 3,-0.3 -0.938 11.8-152.9-110.6 131.4 23.8 35.0 3.3 60 60 A D E + 0 0 72 -19,-0.6 14,-0.2 -2,-0.4 -19,-0.1 -0.630 66.6 23.9-100.8 159.3 23.9 38.4 5.1 61 61 A Q E S+ 0 0 141 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.882 75.0 166.9 58.6 45.4 21.7 41.4 4.8 62 62 A I E - J 0 73B 9 11,-2.6 11,-2.0 -3,-0.3 2,-0.4 -0.830 31.8-136.0 -97.5 122.1 18.6 39.4 3.6 63 63 A I E + J 0 72B 123 -2,-0.5 -47,-0.6 9,-0.2 2,-0.3 -0.683 32.8 174.9 -75.4 132.4 15.3 41.3 3.7 64 64 A I E -EJ 15 71B 2 7,-3.1 7,-2.7 -2,-0.4 2,-0.5 -0.995 28.9-147.2-143.8 145.6 12.5 39.1 5.2 65 65 A E E -EJ 14 70B 64 -51,-2.6 -51,-2.4 -2,-0.3 2,-0.5 -0.923 17.3-172.8-116.3 123.3 8.8 39.4 6.2 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-2.1 -2,-0.5 -53,-0.2 -0.962 74.1 -26.5-120.8 111.1 7.7 37.2 9.1 67 67 A A T 3 S- 0 0 42 -55,-2.7 -1,-0.2 -2,-0.5 -54,-0.1 0.895 129.5 -47.2 51.1 41.6 4.0 37.1 9.9 68 68 A G T 3 S+ 0 0 51 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.453 116.7 114.0 81.6 0.6 3.7 40.6 8.3 69 69 A H E < - J 0 66B 69 -3,-2.1 -3,-2.8 2,-0.0 2,-0.3 -0.918 60.2-137.6-106.2 123.0 6.7 42.1 10.1 70 70 A K E + J 0 65B 159 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.557 29.8 165.0 -82.2 139.5 9.8 43.1 8.1 71 71 A A E - J 0 64B 11 -7,-2.7 -7,-3.1 -2,-0.3 2,-0.4 -0.981 23.3-147.3-144.2 152.5 13.3 42.3 9.3 72 72 A I E + J 0 63B 71 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.970 41.8 104.9-119.0 142.6 16.8 42.2 7.8 73 73 A G E - 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