==== 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 VIRAL PROTEIN 04-DEC-06 2O4L . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR A.A.ARMSTRONG,S.MUZAMMIL,A.JAKALIAN,P.R.BONNEAU,V.SCHMELMER, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 62.1 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 . 19 9.6 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 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 75 0, 0.0 198,-1.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 176.5 0.3 4.5 17.9 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.978 360.0-162.7-107.4 115.2 0.3 6.7 21.0 3 3 A I E -A 197 0A 32 194,-3.2 194,-2.6 -2,-0.6 2,-0.1 -0.885 3.3-150.8-107.0 119.4 -0.7 10.2 19.8 4 4 A T - 0 0 66 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.277 13.2-132.2 -80.5 173.4 -0.0 13.1 22.1 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.144 72.4 110.2-122.0 19.7 -2.2 16.2 22.2 6 6 A W S S+ 0 0 189 185,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.835 93.8 19.9 -61.5 -33.0 0.4 19.0 22.0 7 7 A K S S- 0 0 168 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.793 111.2 -67.1-127.7 171.2 -0.9 19.7 18.5 8 8 A R - 0 0 119 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.377 51.3-119.6 -59.1 130.6 -4.1 18.8 16.6 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.516 47.9 169.2 -77.5 78.4 -4.3 15.0 16.1 10 10 A L E +D 23 0B 90 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.736 4.4 171.9 -92.3 135.8 -4.3 15.0 12.3 11 11 A V E -D 22 0B 13 11,-2.7 11,-2.9 -2,-0.4 2,-0.4 -0.908 35.2 -98.1-137.4 166.0 -3.9 11.7 10.4 12 12 A T E -D 21 0B 67 -2,-0.3 55,-2.5 9,-0.2 2,-0.3 -0.718 37.8-172.5 -87.0 133.0 -4.1 10.4 6.9 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.3 -2,-0.4 2,-0.5 -0.866 16.0-145.2-118.7 156.8 -7.3 8.6 5.9 14 14 A K E +DE 19 65B 103 51,-2.3 51,-1.9 -2,-0.3 2,-0.3 -0.994 33.3 151.3-123.1 123.3 -8.2 6.7 2.7 15 15 A I E > -DE 18 64B 2 3,-2.4 3,-2.3 -2,-0.5 49,-0.1 -0.978 62.3 -0.9-155.4 135.2 -11.8 7.0 1.4 16 16 A G T 3 S- 0 0 48 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.815 129.2 -55.8 53.2 35.9 -13.5 6.9 -1.9 17 17 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.520 117.0 111.6 78.0 8.3 -10.1 6.3 -3.6 18 18 A Q E < -D 15 0B 81 -3,-2.3 -3,-2.4 2,-0.0 2,-0.5 -0.842 62.0-137.5-117.6 149.1 -8.7 9.5 -2.1 19 19 A L E +D 14 0B 133 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.923 35.5 168.7-102.7 128.1 -6.1 10.3 0.5 20 20 A K E -D 13 0B 39 -7,-2.3 -7,-3.0 -2,-0.5 2,-0.5 -0.929 36.2-117.1-137.2 158.5 -7.1 13.1 3.0 21 21 A E E +D 12 0B 107 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.853 39.5 177.3 -95.0 130.7 -6.0 14.7 6.2 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.7 -2,-0.5 2,-0.5 -0.973 28.4-119.2-138.3 155.3 -8.5 14.3 9.1 23 23 A L E -Df 10 84B 13 60,-3.0 62,-3.0 -2,-0.3 2,-0.8 -0.776 20.9-133.5 -94.7 123.8 -8.8 15.3 12.8 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.688 33.4-176.4 -76.6 112.2 -9.3 12.5 15.4 25 25 A D > - 0 0 15 60,-2.8 3,-1.2 -2,-0.8 62,-0.3 -0.863 25.4-178.5-124.5 100.9 -12.1 14.0 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.3 -1,-0.1 0.647 86.0 61.9 -70.0 -15.6 -13.4 12.2 20.5 27 27 A G T 3 S+ 0 0 11 96,-0.1 2,-0.4 81,-0.1 -1,-0.3 0.660 86.7 87.3 -81.4 -20.3 -16.0 14.9 21.0 28 28 A A < - 0 0 19 -3,-1.2 59,-3.1 57,-0.2 60,-0.2 -0.697 58.1-161.9 -88.1 126.6 -17.8 14.2 17.7 29 29 A D S S+ 0 0 50 -2,-0.4 59,-1.4 57,-0.2 2,-0.2 0.893 78.8 36.7 -63.5 -38.9 -20.5 11.5 17.6 30 30 A D S S- 0 0 50 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.688 81.4-113.9-120.3 161.8 -20.2 11.4 13.8 31 31 A T - 0 0 1 43,-0.5 45,-2.6 -2,-0.2 2,-0.4 -0.862 35.1-176.9 -97.3 125.4 -17.6 11.5 11.0 32 32 A V E -gH 76 84B 5 52,-1.8 52,-3.0 -2,-0.5 2,-0.3 -0.994 2.8-171.3-133.5 125.5 -18.0 14.6 8.8 33 33 A L E -g 77 0B 0 43,-2.8 45,-2.5 -2,-0.4 47,-0.2 -0.832 29.5-101.4-116.0 151.0 -15.9 15.3 5.8 34 34 A E S S- 0 0 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.188 71.1 -52.1 -62.4 163.0 -15.6 18.4 3.5 35 35 A E S S+ 0 0 118 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.054 80.4 135.0 -48.3 130.1 -17.4 18.3 0.2 36 36 A M - 0 0 18 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.957 53.7 -96.1-165.7 163.4 -16.6 15.2 -1.9 37 37 A S - 0 0 98 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.728 37.1-179.9 -88.8 138.8 -18.3 12.6 -4.0 38 38 A L - 0 0 9 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.988 27.3-110.8-133.5 150.1 -19.2 9.2 -2.5 39 39 A P S S+ 0 0 96 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.384 70.4 16.4 -77.7 154.9 -20.8 6.2 -4.1 40 40 A G S S- 0 0 62 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.328 96.6 -17.5 93.1-165.9 -24.3 5.0 -3.3 41 41 A R + 0 0 230 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.400 55.2 177.6 -78.8 152.0 -27.4 6.3 -1.6 42 42 A W E -I 59 0B 133 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.969 12.5-160.4-146.9 162.7 -27.5 9.3 0.7 43 43 A K E -I 58 0B 113 15,-1.3 15,-3.1 -2,-0.3 2,-0.1 -0.977 31.9 -97.0-141.2 153.2 -30.1 11.3 2.7 44 44 A P E +I 57 0B 83 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.368 41.6 176.6 -72.0 153.0 -30.0 14.8 4.3 45 45 A K E -I 56 0B 56 11,-2.0 11,-2.9 -2,-0.1 2,-0.5 -0.985 24.6-138.6-150.8 149.9 -29.1 15.3 7.9 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.975 22.0-173.7-111.5 127.5 -28.6 18.3 10.3 47 47 A I E -I 54 0B 19 7,-2.5 7,-2.6 -2,-0.5 2,-0.3 -0.955 6.4-156.3-120.2 142.9 -25.8 18.0 12.7 48 48 A G E +I 53 0B 43 -2,-0.4 2,-0.2 5,-0.3 5,-0.2 -0.858 27.5 129.0-117.9 152.1 -25.1 20.5 15.5 49 49 A G E > -I 52 0B 21 3,-1.7 3,-2.3 -2,-0.3 2,-0.1 -0.833 66.3 -14.9-164.3-151.1 -22.0 21.5 17.4 50 50 A V T 3 S+ 0 0 18 1,-0.3 101,-2.5 -2,-0.2 102,-0.6 -0.445 133.2 23.4 -64.1 132.0 -20.1 24.7 18.4 51 51 A G T 3 S- 0 0 30 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.330 122.8 -92.8 88.5 -7.3 -21.4 27.5 16.1 52 52 A G E < -I 49 0B 27 -3,-2.3 -3,-1.7 100,-0.1 2,-0.3 -0.710 66.3 -18.3 110.3-156.1 -24.7 25.7 15.5 53 53 A F E -I 48 0B 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.684 41.6-169.1-102.1 147.5 -26.0 23.3 12.9 54 54 A I E -I 47 0B 19 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.4 -0.961 24.6-123.0-126.0 150.4 -24.9 22.4 9.3 55 55 A K E +I 46 0B 147 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.781 38.8 173.2 -89.0 132.5 -26.8 20.4 6.7 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.5 -0.840 34.6-111.4-132.8 167.4 -24.9 17.4 5.5 57 57 A R E -IJ 44 77B 51 20,-2.6 20,-2.0 -2,-0.3 2,-0.6 -0.918 29.9-143.5-100.1 130.7 -25.4 14.3 3.2 58 58 A Q E -IJ 43 76B 31 -15,-3.1 -15,-1.3 -2,-0.5 2,-0.5 -0.864 17.5-176.0 -99.0 116.2 -25.4 11.0 5.1 59 59 A Y E -IJ 42 75B 10 16,-2.5 16,-2.7 -2,-0.6 3,-0.3 -0.955 12.9-153.8-109.9 126.6 -23.8 8.0 3.3 60 60 A D E + 0 0 70 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.617 65.2 20.9-100.2 158.2 -24.0 4.7 5.1 61 61 A Q E S+ 0 0 165 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.933 77.2 163.9 57.0 54.6 -21.8 1.6 4.9 62 62 A I E - J 0 73B 15 11,-2.6 11,-1.7 -3,-0.3 2,-0.2 -0.905 34.7-130.0-108.0 128.0 -18.7 3.4 3.6 63 63 A L E + J 0 72B 130 -2,-0.5 -47,-0.5 9,-0.2 2,-0.3 -0.551 34.6 170.4 -77.4 140.0 -15.3 1.8 3.7 64 64 A I E -EJ 15 71B 8 7,-2.4 7,-2.5 -2,-0.2 2,-0.4 -0.984 27.7-148.3-148.5 152.9 -12.5 3.8 5.2 65 65 A E E -EJ 14 70B 55 -51,-1.9 -51,-2.3 -2,-0.3 2,-0.5 -0.993 16.2-167.6-126.9 123.2 -8.9 3.4 6.3 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.5 -2,-0.4 -53,-0.2 -0.955 71.5 -27.0-118.8 117.8 -7.8 5.6 9.2 67 67 A C T 3 S- 0 0 50 -55,-2.5 -1,-0.2 -2,-0.5 -54,-0.1 0.871 130.6 -44.7 45.6 44.2 -4.1 5.8 10.0 68 68 A G T 3 S+ 0 0 52 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.410 116.1 114.5 85.2 0.1 -3.7 2.3 8.5 69 69 A H E < - J 0 66B 70 -3,-2.5 -3,-2.9 2,-0.0 2,-0.2 -0.908 58.6-135.3-111.3 126.8 -6.7 0.7 10.2 70 70 A K E + J 0 65B 179 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.511 34.1 150.3 -83.0 142.3 -9.7 -0.5 8.2 71 71 A A E - J 0 64B 15 -7,-2.5 -7,-2.4 -2,-0.2 2,-0.3 -0.951 31.1-139.7-153.7 171.5 -13.3 0.2 9.2 72 72 A I E + J 0 63B 83 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.988 40.1 115.6-135.2 146.6 -16.8 0.7 7.8 73 73 A G E - 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