==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 25-APR-97 1QBT . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.ALA,C.-H.CHANG . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 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 . 29 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 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 . 3 2 3 0 0 3 2 1 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 91 0, 0.0 198,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-176.9 -12.8 39.1 29.9 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.818 360.0-165.7-104.9 148.8 -14.3 37.5 27.0 3 3 A V E -A 197 0A 27 194,-2.2 194,-2.1 -2,-0.4 2,-0.2 -0.967 8.1-145.8-131.8 138.6 -12.3 35.0 25.2 4 4 A T - 0 0 57 -2,-0.4 192,-0.1 192,-0.2 3,-0.1 -0.506 18.1-126.9 -96.6 178.9 -12.9 33.5 21.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 -2,-0.2 185,-0.1 0.099 84.5 95.4-115.6 24.8 -12.0 30.0 20.8 6 6 A W S S+ 0 0 179 184,-0.1 2,-0.3 185,-0.1 -1,-0.1 0.838 96.0 33.1 -77.2 -34.7 -9.9 30.6 17.8 7 7 A Q S S- 0 0 112 -3,-0.1 -4,-0.0 3,-0.0 0, 0.0 -0.806 110.1 -92.4-108.4 163.7 -6.9 30.4 19.9 8 8 A R - 0 0 87 -2,-0.3 2,-1.2 1,-0.1 119,-0.1 -0.630 44.3-111.8 -81.1 137.8 -6.8 28.1 22.8 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.493 50.3 165.9 -77.2 96.9 -7.9 29.9 25.9 10 10 A L E +D 23 0B 75 -2,-1.2 2,-0.3 13,-0.2 13,-0.2 -0.861 9.4 179.4-107.7 146.6 -4.8 30.1 28.0 11 11 A V E -D 22 0B 14 11,-2.7 11,-3.0 -2,-0.4 2,-0.5 -0.904 31.5-102.9-136.9 170.3 -4.3 32.3 31.0 12 12 A T E -D 21 0B 77 -2,-0.3 55,-2.4 9,-0.2 2,-0.4 -0.789 35.4-171.1 -96.3 131.4 -1.6 33.0 33.5 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.9 -2,-0.5 2,-0.5 -0.909 15.4-147.8-117.3 149.6 -2.0 31.4 36.9 14 14 A K E +DE 19 65B 80 51,-2.3 51,-2.7 -2,-0.4 2,-0.3 -0.989 31.4 158.2-114.9 123.3 0.1 32.0 40.0 15 15 A I E > -DE 18 64B 1 3,-3.1 3,-3.2 -2,-0.5 49,-0.1 -0.997 62.0 -2.2-143.1 136.9 0.4 29.0 42.1 16 16 A G T 3 S- 0 0 43 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.833 127.2 -59.3 57.6 28.8 2.9 28.0 44.7 17 17 A G T 3 S+ 0 0 60 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.454 118.3 111.2 78.2 -2.4 4.9 31.1 44.1 18 18 A Q E < -D 15 0B 71 -3,-3.2 -3,-3.1 0, 0.0 2,-0.5 -0.782 63.6-135.1-110.0 147.8 5.3 30.0 40.5 19 19 A L E +D 14 0B 120 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.890 32.7 166.0-103.1 130.0 3.8 31.5 37.4 20 20 A K E -D 13 0B 48 -7,-2.9 -7,-3.0 -2,-0.5 2,-0.4 -0.853 33.0-123.3-133.1 169.6 2.3 29.1 34.9 21 21 A E E -D 12 0B 107 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.931 34.8-179.7-114.0 140.6 0.1 29.2 31.9 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.7 -2,-0.4 2,-0.4 -0.971 27.5-112.6-145.5 158.0 -3.0 27.1 31.8 23 23 A L E -Df 10 84B 4 60,-2.5 62,-3.3 -2,-0.3 2,-0.8 -0.710 23.0-134.1 -87.7 135.5 -6.0 26.1 29.7 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.7 -2,-0.4 62,-0.2 -0.801 33.4-170.8 -86.5 114.3 -9.4 27.1 30.7 25 25 A D > - 0 0 14 60,-2.9 3,-1.9 -2,-0.8 62,-0.5 -0.789 27.5-178.4-123.9 100.3 -11.2 23.9 30.2 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.710 87.3 57.7 -62.0 -19.0 -15.0 23.6 30.4 27 27 A G T 3 S+ 0 0 10 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.522 89.2 85.9 -91.8 -5.4 -14.8 19.9 29.8 28 28 A A < - 0 0 20 -3,-1.9 59,-3.3 57,-0.2 60,-0.2 -0.840 57.4-162.2-103.2 130.1 -12.6 19.1 32.7 29 29 A D S S+ 0 0 69 -2,-0.5 59,-2.1 57,-0.2 2,-0.2 0.924 76.3 33.0 -70.6 -42.0 -14.1 18.4 36.1 30 30 A D S S- 0 0 53 57,-0.2 2,-0.4 58,-0.1 57,-0.2 -0.692 83.8-107.8-115.1 162.2 -10.9 19.0 38.0 31 31 A T - 0 0 1 43,-0.4 45,-2.2 -2,-0.2 2,-0.4 -0.765 33.8-171.9 -90.0 134.8 -7.8 21.1 37.7 32 32 A V E -gH 76 84B 4 52,-1.9 52,-3.1 -2,-0.4 2,-0.3 -0.982 1.3-172.4-134.3 120.1 -4.7 19.2 36.7 33 33 A L E -g 77 0B 2 43,-3.3 45,-3.1 -2,-0.4 47,-0.3 -0.824 27.9-108.5-111.9 149.6 -1.3 20.7 36.7 34 34 A E - 0 0 84 -2,-0.3 -1,-0.1 43,-0.2 2,-0.1 -0.172 62.5 -61.3 -61.8 167.9 1.9 19.4 35.5 35 35 A E S S+ 0 0 104 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.283 75.0 138.7 -56.3 128.7 4.5 18.3 38.0 36 36 A M - 0 0 12 -3,-0.1 2,-0.6 -2,-0.1 -3,-0.1 -0.939 54.0 -87.4-157.2 171.0 5.7 21.1 40.1 37 37 A S + 0 0 93 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.771 40.2 170.3 -92.8 122.8 6.5 21.4 43.7 38 38 A L - 0 0 20 -2,-0.6 2,-0.2 2,-0.1 -2,-0.0 -0.866 28.9-128.0-109.1 159.8 3.9 22.2 46.2 39 39 A P + 0 0 106 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.546 67.8 41.7 -86.0 170.6 4.6 22.0 49.9 40 40 A G S S- 0 0 66 -2,-0.2 2,-0.3 19,-0.0 -2,-0.1 -0.476 94.0 -41.0 95.2-168.1 2.3 20.1 52.2 41 41 A R - 0 0 131 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.698 47.8-179.9-105.9 160.9 0.6 16.8 51.9 42 42 A W - 0 0 117 -2,-0.3 17,-0.2 17,-0.1 15,-0.0 -0.861 16.9-137.0-143.0 176.5 -1.1 15.2 49.1 43 43 A K E -I 58 0B 90 15,-1.3 15,-3.6 -2,-0.3 2,-0.2 -0.924 25.8-110.1-131.9 157.4 -3.0 12.0 48.4 44 44 A P E +I 57 0B 86 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.571 42.5 157.3 -78.4 157.4 -2.8 9.8 45.3 45 45 A K E -I 56 0B 82 11,-1.9 11,-3.4 -2,-0.2 2,-0.4 -0.927 32.3-126.6-165.1 166.7 -5.7 9.4 43.0 46 46 A M E -I 55 0B 104 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.927 21.9-176.5-112.0 136.7 -6.4 8.4 39.4 47 47 A I E -I 54 0B 21 7,-2.9 7,-3.0 -2,-0.4 2,-0.3 -0.885 14.5-136.9-122.9 165.3 -8.2 10.5 36.9 48 48 A G E +I 53 0B 46 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.849 27.9 149.8-118.3 157.7 -9.2 9.6 33.4 49 49 A G - 0 0 25 3,-2.2 2,-0.4 -2,-0.3 102,-0.1 -0.664 61.4 -41.6-146.1-149.7 -9.2 11.3 30.1 50 50 A I S S+ 0 0 22 -2,-0.2 2,-0.7 1,-0.2 102,-0.5 -0.738 131.3 26.8 -84.1 139.2 -8.9 10.3 26.5 51 51 A G B S-K 151 0C 39 -2,-0.4 2,-0.3 128,-0.4 100,-0.2 -0.436 124.3 -88.4 99.4 -59.9 -6.2 7.8 26.3 52 52 A G - 0 0 18 98,-1.4 -3,-2.2 -2,-0.7 2,-0.3 -0.982 63.3 -14.0 159.5-143.4 -6.8 6.7 29.8 53 53 A F E -I 48 0B 153 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.695 38.1-169.1 -99.5 146.8 -6.0 7.1 33.4 54 54 A I E -I 47 0B 18 -7,-3.0 -7,-2.9 -2,-0.3 2,-0.4 -0.964 21.4-129.9-124.2 152.6 -3.3 9.0 35.0 55 55 A K E +I 46 0B 130 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.808 36.4 173.8 -98.1 146.0 -2.4 8.8 38.7 56 56 A V E -I 45 0B 4 -11,-3.4 -11,-1.9 -2,-0.4 2,-0.5 -0.857 33.5-107.9-144.6 163.0 -2.0 12.2 40.2 57 57 A R E -IJ 44 77B 63 20,-2.4 20,-2.5 -2,-0.3 2,-0.7 -0.924 28.5-142.1-102.9 133.9 -1.5 13.8 43.6 58 58 A Q E -IJ 43 76B 38 -15,-3.6 -15,-1.3 -2,-0.5 2,-0.5 -0.825 17.9-174.4 -95.1 117.9 -4.4 15.5 45.1 59 59 A Y E - J 0 75B 7 16,-2.8 16,-2.2 -2,-0.7 3,-0.4 -0.923 10.9-152.0-108.6 132.3 -3.6 18.7 47.0 60 60 A D E + 0 0 45 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.647 67.3 18.3-100.5 165.1 -6.3 20.4 48.9 61 61 A Q E S+ 0 0 149 -2,-0.2 2,-0.5 1,-0.2 13,-0.2 0.760 76.5 164.2 49.3 38.6 -6.8 24.1 49.8 62 62 A I E - J 0 73B 25 11,-3.1 11,-3.1 -3,-0.4 2,-0.6 -0.684 34.1-135.2 -84.3 130.0 -4.4 25.3 47.2 63 63 A L E - J 0 72B 78 -2,-0.5 -47,-0.6 9,-0.3 2,-0.4 -0.712 25.7-177.2 -80.0 124.9 -4.6 29.0 46.4 64 64 A I E -EJ 15 71B 2 7,-3.4 7,-2.1 -2,-0.6 2,-0.7 -0.960 17.7-152.2-117.0 142.5 -4.5 29.6 42.8 65 65 A E E -EJ 14 70B 67 -51,-2.7 -51,-2.3 -2,-0.4 2,-0.5 -0.927 15.9-167.6-112.4 107.5 -4.5 33.0 41.4 66 66 A I E > -EJ 13 69B 0 3,-2.6 2,-3.3 -2,-0.7 3,-3.2 -0.851 69.2 -33.1-101.7 126.0 -6.1 32.8 38.0 67 67 A C T 3 S- 0 0 68 -55,-2.4 -1,-0.1 -2,-0.5 3,-0.1 -0.251 129.2 -40.7 54.9 -55.6 -5.6 35.9 35.9 68 68 A G T 3 S+ 0 0 55 -2,-3.3 2,-0.4 1,-0.1 -1,-0.3 0.165 115.5 110.5-163.6 0.4 -5.8 38.0 39.0 69 69 A H E < - J 0 66B 69 -3,-3.2 -3,-2.6 1,-0.0 2,-0.2 -0.701 61.3-137.9-101.4 126.3 -8.5 36.2 40.8 70 70 A K E + J 0 65B 167 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.602 29.5 168.1 -82.3 151.1 -7.7 34.4 43.9 71 71 A A E - J 0 64B 6 -7,-2.1 -7,-3.4 -2,-0.2 2,-0.5 -0.971 23.8-147.9-154.0 152.7 -9.3 31.0 44.3 72 72 A I E + J 0 63B 78 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.3 -0.990 39.2 128.4-126.5 123.4 -8.6 28.1 46.7 73 73 A G E - 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