==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 07-MAY-97 1VIK . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR G.LANGE-SAVAGE,H.BERCHTOLD,A.LIESUM,R.HILGENFELD . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 34.3 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 . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.5 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 1 0 0 1 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 1 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 . 3 2 4 0 0 2 3 0 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 1 1 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,-1.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 162.9 29.8 39.1 4.9 2 2 A Q E -A 198 0A 139 196,-0.2 2,-0.4 197,-0.2 196,-0.2 -0.954 360.0-155.9-104.2 111.8 29.6 37.1 1.7 3 3 A I E -A 197 0A 30 194,-2.6 194,-1.7 -2,-0.6 2,-0.1 -0.820 5.2-144.4-102.3 138.7 28.9 33.4 2.6 4 4 A T - 0 0 79 -2,-0.4 3,-0.2 192,-0.2 192,-0.1 -0.412 11.0-139.2 -90.3 157.9 29.7 30.3 0.6 5 5 A L S S+ 0 0 3 190,-0.4 186,-0.2 1,-0.1 3,-0.1 -0.211 76.6 104.7-112.8 36.2 27.4 27.2 0.5 6 6 A W S S+ 0 0 200 1,-0.1 2,-0.3 185,-0.1 -1,-0.1 0.773 95.3 22.2 -79.1 -29.8 30.2 24.7 0.7 7 7 A Q S S- 0 0 152 -3,-0.2 -1,-0.1 3,-0.0 0, 0.0 -0.859 109.6 -73.4-130.5 162.2 29.1 24.3 4.3 8 8 A R - 0 0 127 -2,-0.3 2,-2.4 1,-0.2 119,-0.1 -0.448 46.7-122.7 -59.6 132.4 25.9 25.0 6.2 9 9 A P + 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.446 48.8 166.7 -79.2 69.2 25.5 28.8 6.6 10 10 A L E +D 23 0B 70 -2,-2.4 13,-0.3 13,-0.2 2,-0.2 -0.745 9.1 179.9 -84.3 135.5 25.3 28.6 10.4 11 11 A V E -D 22 0B 21 11,-3.9 11,-3.0 -2,-0.3 2,-0.5 -0.774 30.5-106.6-130.1 171.1 25.7 31.9 12.3 12 12 A T E -D 21 0B 82 -2,-0.2 55,-1.1 9,-0.2 2,-0.3 -0.925 36.2-169.7-101.8 130.8 25.7 33.1 15.9 13 13 A I E -E 66 0B 2 7,-1.7 2,-0.6 -2,-0.5 7,-0.2 -0.841 18.0-139.8-118.9 159.1 22.7 35.0 17.1 14 14 A K E +E 65 0B 105 51,-1.7 51,-1.1 -2,-0.3 2,-0.4 -0.975 30.7 164.7-120.7 108.7 22.0 36.9 20.3 15 15 A I E > S-EF 64 18B 1 3,-2.7 3,-0.7 -2,-0.6 49,-0.1 -0.993 71.1 -8.7-127.0 131.0 18.5 36.4 21.6 16 16 A G T 3 S- 0 0 62 47,-0.5 -1,-0.2 -2,-0.4 21,-0.1 0.906 124.9 -64.5 42.9 55.4 17.4 37.3 25.1 17 17 A G T 3 S+ 0 0 73 -3,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.847 118.0 112.8 29.4 61.0 21.1 38.0 25.8 18 18 A Q B < -F 15 0B 87 -3,-0.7 -3,-2.7 -5,-0.0 2,-0.9 -0.843 64.7-140.1-151.7 118.4 21.7 34.3 25.3 19 19 A L + 0 0 121 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.1 -0.723 28.8 172.3-108.5 94.6 23.8 33.7 22.1 20 20 A K - 0 0 55 -2,-0.9 -7,-1.7 -7,-0.2 2,-0.4 0.119 30.1-111.6 -73.1-174.0 22.7 30.6 20.2 21 21 A E E +D 12 0B 122 -9,-0.3 62,-0.6 -7,-0.0 2,-0.3 -0.997 36.7 175.2-134.3 127.5 23.7 29.2 16.7 22 22 A A E -Dg 11 83B 0 -11,-3.0 -11,-3.9 -2,-0.4 2,-0.5 -0.966 28.1-121.4-144.8 156.3 21.4 29.2 13.7 23 23 A L E -Dg 10 84B 15 60,-2.6 62,-2.3 -2,-0.3 2,-1.0 -0.855 26.1-125.8-105.5 124.9 21.2 28.4 10.1 24 24 A L E - g 0 85B 0 -15,-2.6 2,-0.7 -2,-0.5 62,-0.1 -0.602 36.7-173.5 -70.1 100.8 20.4 31.0 7.5 25 25 A D > + 0 0 20 60,-2.5 3,-0.7 -2,-1.0 62,-0.2 -0.869 27.0 176.9-112.5 107.3 17.5 29.4 5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.2 98,-0.1 0.554 84.8 67.2 -82.6 -4.0 16.0 30.9 2.7 27 27 A G T 3 S+ 0 0 21 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.734 89.9 85.2 -84.0 -21.9 13.7 27.9 2.4 28 28 A A < - 0 0 15 -3,-0.7 59,-3.2 57,-0.2 60,-0.2 -0.722 58.8-166.0 -86.7 123.2 12.1 29.1 5.6 29 29 A D S S+ 0 0 58 -2,-0.5 59,-1.6 57,-0.2 2,-0.2 0.919 78.3 24.4 -64.5 -47.3 9.3 31.8 5.6 30 30 A D S S- 0 0 45 57,-0.2 2,-0.4 56,-0.2 57,-0.1 -0.675 84.9-101.0-115.7 168.8 9.7 32.4 9.4 31 31 A T - 0 0 0 43,-0.4 45,-2.4 -2,-0.2 2,-0.4 -0.794 35.3-177.6 -99.9 128.7 12.2 32.1 12.2 32 32 A V E -hI 76 84B 8 52,-1.3 52,-3.0 -2,-0.4 2,-0.4 -0.999 2.6-171.7-133.6 120.7 11.9 29.1 14.5 33 33 A L E -h 77 0B 0 43,-2.8 45,-1.5 -2,-0.4 3,-0.2 -0.950 32.8-100.5-114.4 138.4 14.1 28.5 17.4 34 34 A E E -h 78 0B 77 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.034 70.0 -55.1 -48.3 162.7 14.3 25.4 19.6 35 35 A E S S+ 0 0 109 43,-0.7 2,-0.3 45,-0.2 -1,-0.2 -0.003 76.2 132.0 -44.5 130.7 12.5 25.7 22.9 36 36 A M - 0 0 24 -3,-0.2 2,-0.6 2,-0.0 -3,-0.0 -0.956 53.9 -90.6-167.3 178.1 13.2 28.6 25.3 37 37 A N + 0 0 147 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.924 42.2 165.5-118.1 115.8 11.5 31.2 27.4 38 38 A L - 0 0 15 -2,-0.6 2,-0.2 2,-0.1 -2,-0.0 -0.750 35.9-105.5-113.9 162.0 10.9 34.6 26.0 39 39 A P S S+ 0 0 105 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.464 73.3 51.4 -88.2 161.1 8.6 37.3 27.4 40 40 A G S S- 0 0 64 -2,-0.2 2,-0.4 19,-0.1 -2,-0.1 -0.357 92.6 -58.9 105.5 174.6 5.2 38.3 25.9 41 41 A R - 0 0 220 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.776 50.4-156.6 -93.4 146.3 2.1 36.4 25.0 42 42 A W - 0 0 106 -2,-0.4 17,-0.2 17,-0.1 15,-0.1 -0.863 2.2-153.0-115.9 152.1 2.6 33.7 22.5 43 43 A K E -J 58 0B 116 15,-1.5 15,-3.3 -2,-0.3 2,-0.1 -0.929 29.7-105.1-122.0 141.7 -0.2 32.3 20.2 44 44 A P E +J 57 0B 71 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.446 40.4 175.3 -69.0 146.1 0.1 28.7 18.9 45 45 A K E -J 56 0B 80 11,-1.9 11,-2.8 -2,-0.1 2,-0.4 -0.826 22.8-138.4-139.3 163.5 1.0 28.2 15.2 46 46 A M E -J 55 0B 93 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.983 19.8-167.3-131.6 109.0 1.6 25.0 13.3 47 47 A I E -J 54 0B 24 7,-1.6 7,-2.0 -2,-0.4 2,-0.3 -0.860 6.5-147.2-109.5 142.4 4.5 24.9 10.7 48 48 A G E +J 53 0B 42 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.810 29.0 134.7-112.2 146.8 5.2 22.3 8.1 49 49 A G E > -J 52 0B 40 3,-2.8 3,-2.0 -2,-0.3 2,-0.1 -0.697 63.4 -25.4-154.3-157.2 8.4 20.8 6.6 50 50 A I T 3 S+ 0 0 36 1,-0.3 102,-1.1 -2,-0.2 101,-0.7 -0.405 132.7 19.6 -62.1 135.2 9.9 17.5 5.6 51 51 A G T 3 S- 0 0 36 100,-0.3 2,-0.3 99,-0.1 -1,-0.3 0.554 123.4 -90.0 80.9 -1.3 8.3 14.8 7.8 52 52 A G E < -J 49 0B 26 -3,-2.0 -3,-2.8 100,-0.1 99,-0.9 -0.716 61.5 -18.4 116.7-161.5 5.3 17.0 8.6 53 53 A F E -J 48 0B 143 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.854 37.9-173.4-109.0 135.3 3.9 19.6 11.0 54 54 A I E -J 47 0B 27 -7,-2.0 -7,-1.6 -2,-0.4 2,-0.5 -0.864 28.0-121.4-115.7 153.7 5.0 20.5 14.6 55 55 A K E -J 46 0B 137 -2,-0.3 -9,-0.3 -9,-0.2 2,-0.3 -0.883 36.0-176.1 -98.4 132.9 3.0 23.0 16.8 56 56 A V E -J 45 0B 3 -11,-2.8 -11,-1.9 -2,-0.5 2,-0.6 -0.805 28.7-112.8-124.3 169.5 5.1 26.0 17.9 57 57 A R E -JK 44 77B 46 20,-2.9 20,-1.9 -2,-0.3 2,-0.5 -0.901 32.4-144.0-101.5 114.6 4.6 29.0 20.2 58 58 A Q E +JK 43 76B 28 -15,-3.3 -15,-1.5 -2,-0.6 2,-0.3 -0.698 19.3 179.7 -89.3 129.5 4.5 32.3 18.3 59 59 A Y E - K 0 75B 4 16,-2.3 16,-2.2 -2,-0.5 2,-0.2 -0.932 10.6-155.1-120.6 146.1 6.0 35.5 19.7 60 60 A D E + 0 0 74 -19,-0.4 14,-0.2 -2,-0.3 3,-0.1 -0.696 65.6 26.0-120.8 171.0 6.1 38.9 18.1 61 61 A Q E S+ 0 0 172 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.878 81.5 159.3 41.6 44.0 8.0 42.1 18.1 62 62 A I E - K 0 73B 17 11,-2.2 11,-2.1 -3,-0.2 2,-0.5 -0.810 35.3-134.8 -92.7 134.5 10.9 40.0 19.3 63 63 A L E + K 0 72B 99 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.884 26.3 174.6-101.0 130.9 14.4 41.4 18.8 64 64 A I E -EK 15 71B 1 7,-1.6 7,-2.6 -2,-0.5 2,-0.5 -0.833 21.9-141.5-125.5 160.1 17.3 39.2 17.5 65 65 A E E -EK 14 70B 58 -51,-1.1 -51,-1.7 -2,-0.3 2,-0.6 -0.965 14.2-174.4-128.2 111.6 20.9 40.0 16.5 66 66 A I E S-E 13 0B 0 3,-2.1 3,-0.4 -2,-0.5 -53,-0.2 -0.923 75.0 -30.8-109.4 104.2 22.4 38.3 13.5 67 67 A C S S- 0 0 58 -55,-1.1 2,-1.1 -2,-0.6 -1,-0.2 0.896 126.4 -43.9 55.7 46.6 26.1 39.1 13.0 68 68 A G S S+ 0 0 32 1,-0.3 -1,-0.3 -3,-0.1 -54,-0.1 -0.702 114.9 108.3 103.5 -77.7 25.9 42.5 14.6 69 69 A H - 0 0 70 -2,-1.1 -3,-2.1 -3,-0.4 2,-0.4 0.090 62.2-136.7 -42.1 137.5 22.7 43.7 12.9 70 70 A K E + K 0 65B 124 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.805 24.9 178.5 -93.5 131.9 19.6 44.0 14.9 71 71 A A E - 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