==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-AUG-10 3OK9 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.-F.WANG,J.AGNISWAMY,I.T.WEBER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 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 . 20 10.1 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 3 1 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 84 0, 0.0 198,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 175.9 8.0 37.9 33.1 2 2 A Q E -A 198 0A 135 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.937 360.0-162.7-107.2 129.7 8.7 39.3 29.7 3 3 A I E -A 197 0A 32 194,-2.8 194,-2.3 -2,-0.4 2,-0.1 -0.976 2.9-155.6-122.1 119.0 11.8 37.9 28.0 4 4 A T - 0 0 77 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.375 17.5-130.1 -80.7 170.5 13.4 39.6 25.0 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.118 75.6 106.0-119.9 23.2 15.5 37.6 22.6 6 6 A W S S+ 0 0 169 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.814 93.4 31.5 -72.1 -28.7 18.7 39.6 22.2 7 7 A K S S- 0 0 172 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.777 111.5 -78.1-117.0 162.2 20.3 36.9 24.4 8 8 A R - 0 0 139 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.464 46.4-117.1 -59.3 135.9 19.5 33.2 24.6 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.459 51.3 167.9 -81.5 74.1 16.3 32.7 26.8 10 10 A L E +D 23 0B 81 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.724 6.7 173.3 -88.5 135.3 18.1 30.7 29.4 11 11 A V E -D 22 0B 16 11,-2.6 11,-2.4 -2,-0.4 2,-0.4 -0.885 34.2-101.6-134.0 164.4 16.4 30.0 32.7 12 12 A T E -D 21 0B 63 -2,-0.3 55,-2.5 9,-0.2 56,-0.4 -0.764 36.9-172.9 -88.1 134.0 17.1 27.9 35.7 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.3 -2,-0.4 2,-0.4 -0.846 13.6-148.3-117.6 161.6 15.3 24.7 36.1 14 14 A K E +DE 19 65B 111 51,-2.3 51,-2.5 -2,-0.3 2,-0.3 -0.986 26.1 157.7-132.7 123.5 15.1 22.2 38.9 15 15 A I E > +DE 18 64B 2 3,-2.4 3,-2.2 -2,-0.4 49,-0.1 -0.995 69.8 3.2-144.1 134.5 14.8 18.5 38.3 16 16 A G T 3 S- 0 0 59 47,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.846 130.3 -60.7 59.3 30.5 15.7 15.7 40.6 17 17 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.537 114.6 116.9 76.8 1.4 16.7 18.2 43.2 18 18 A Q E < -D 15 0B 106 -3,-2.2 -3,-2.4 0, 0.0 2,-0.4 -0.883 61.2-134.6-110.3 136.9 19.3 19.6 40.9 19 19 A L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.700 33.4 165.1 -84.5 138.2 19.5 23.1 39.4 20 20 A K E -D 13 0B 47 -7,-2.3 -7,-3.0 -2,-0.4 2,-0.4 -0.927 35.3-115.1-141.2 163.0 20.3 23.3 35.7 21 21 A E E +D 12 0B 99 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.847 36.2 178.1-101.0 143.4 20.2 25.9 32.9 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.4 -0.985 26.9-119.3-146.4 154.7 17.8 25.4 30.1 23 23 A L E -Df 10 84B 12 60,-2.8 62,-3.2 -2,-0.3 2,-0.6 -0.735 21.9-129.5 -95.3 133.7 16.7 27.2 26.9 24 24 A L E - f 0 85B 1 -15,-2.5 2,-0.5 -2,-0.4 62,-0.2 -0.803 36.4-171.6 -78.9 121.8 13.1 28.2 26.5 25 25 A D > + 0 0 14 60,-2.8 3,-1.7 -2,-0.6 62,-0.3 -0.826 28.9 177.7-132.4 99.1 12.5 26.8 23.0 26 26 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 98,-0.1 0.705 85.9 62.2 -70.4 -18.9 9.3 27.5 21.0 27 27 A G T 3 S+ 0 0 20 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.420 89.7 83.3 -82.0 -2.1 10.7 25.5 18.1 28 28 A A < - 0 0 10 -3,-1.7 59,-2.9 57,-0.2 60,-0.2 -0.910 56.3-166.9-105.9 124.4 10.9 22.3 20.2 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.889 78.4 42.6 -66.2 -37.8 7.8 20.2 20.5 30 30 A D S S- 0 0 51 57,-0.2 2,-0.4 56,-0.2 57,-0.1 -0.813 82.5-116.9-119.0 143.8 9.4 18.3 23.3 31 31 A T - 0 0 1 43,-0.5 45,-2.4 -2,-0.3 2,-0.4 -0.718 33.8-172.1 -82.4 129.6 11.6 19.0 26.4 32 32 A V E -gH 76 84B 2 52,-1.9 52,-2.9 -2,-0.4 2,-0.4 -0.997 2.4-171.4-133.7 125.6 15.0 17.4 26.1 33 33 A I E -g 77 0B 0 43,-2.9 45,-1.8 -2,-0.4 3,-0.2 -0.937 28.9-103.6-121.8 136.3 17.6 17.2 28.9 34 34 A E - 0 0 73 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.095 66.5 -57.8 -53.1 155.9 21.2 16.1 28.9 35 35 A E S S+ 0 0 126 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.072 79.9 133.5 -42.8 126.4 22.1 12.7 30.4 36 36 A M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.946 55.8 -90.6-163.6 168.2 21.0 12.4 34.0 37 37 A S + 0 0 105 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.779 40.2 177.7 -93.5 138.1 19.2 9.9 36.2 38 38 A L - 0 0 13 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.954 28.9-105.5-130.9 154.2 15.4 10.1 36.6 39 39 A P S S+ 0 0 96 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.353 72.9 18.9 -78.0 159.2 13.0 7.8 38.5 40 40 A G S S- 0 0 68 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.245 95.5 -37.7 88.8-172.1 10.7 5.3 37.1 41 41 A R - 0 0 227 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.551 51.9-150.9 -86.9 156.1 10.5 3.5 33.8 42 42 A W - 0 0 131 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.883 1.3-147.7-126.7 161.6 11.3 5.0 30.4 43 43 A K E -I 58 0B 83 15,-1.9 15,-3.0 -2,-0.3 2,-0.2 -0.874 29.2-101.0-122.0 152.4 10.0 4.4 26.9 44 44 A P E +I 57 0B 113 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.439 41.6 167.5 -79.9 150.8 12.0 4.8 23.6 45 45 A K E -I 56 0B 75 11,-1.3 11,-2.8 -2,-0.2 2,-0.5 -0.980 23.8-150.2-155.1 146.0 11.6 7.8 21.3 46 46 A M E -I 55 0B 107 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.982 19.3-171.8-113.1 130.5 13.5 9.1 18.4 47 47 A I E -I 54 0B 13 7,-2.5 7,-2.5 -2,-0.5 2,-0.4 -0.938 9.6-142.6-125.5 154.4 13.5 12.9 17.9 48 48 A G E +I 53 0B 44 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.876 23.4 158.4-123.4 140.0 14.8 14.8 14.9 49 49 A G E > -I 52 0B 18 3,-3.4 3,-0.6 -2,-0.4 102,-0.1 -0.593 58.2 -52.3-138.8-157.5 16.5 18.1 14.6 50 50 A I T 3 S+ 0 0 29 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.815 130.9 32.3 -54.1 -38.7 18.7 20.1 12.4 51 51 A G T 3 S- 0 0 32 99,-2.0 2,-0.3 101,-0.3 -1,-0.2 0.573 123.3 -77.6 -99.4 -8.9 21.4 17.5 11.9 52 52 A G E < -I 49 0B 25 98,-0.9 -3,-3.4 -3,-0.6 -1,-0.3 -0.984 64.7 -39.1 143.1-162.4 19.4 14.3 12.0 53 53 A F E -I 48 0B 141 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.725 39.7-167.9-104.3 150.4 17.8 12.1 14.6 54 54 A I E -I 47 0B 21 -7,-2.5 -7,-2.5 -2,-0.3 2,-0.4 -0.958 24.3-118.5-130.8 154.7 18.8 10.9 18.1 55 55 A K E +I 46 0B 164 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.776 37.5 179.7 -85.8 134.8 17.5 8.2 20.4 56 56 A V E -I 45 0B 7 -11,-2.8 -11,-1.3 -2,-0.4 2,-0.5 -0.854 30.7-115.0-132.6 165.7 16.3 9.5 23.8 57 57 A R E -IJ 44 77B 45 20,-2.5 20,-2.5 -2,-0.3 2,-0.6 -0.927 28.8-145.8-101.1 123.1 14.8 8.0 26.9 58 58 A Q E -IJ 43 76B 34 -15,-3.0 -15,-1.9 -2,-0.5 2,-0.5 -0.848 17.3-177.6 -97.5 117.5 11.2 9.2 27.5 59 59 A Y E - J 0 75B 13 16,-2.5 16,-2.7 -2,-0.6 3,-0.3 -0.952 13.2-152.5-111.0 126.5 10.2 9.6 31.1 60 60 A D E + 0 0 69 -2,-0.5 14,-0.2 -19,-0.5 13,-0.1 -0.625 66.0 17.6 -99.7 157.4 6.6 10.7 31.8 61 61 A Q E S+ 0 0 165 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.893 77.9 163.7 60.1 43.9 5.1 12.6 34.7 62 62 A I E - J 0 73B 13 11,-2.7 11,-2.1 -3,-0.3 2,-0.4 -0.777 37.8-125.0 -96.6 133.9 8.4 14.1 35.9 63 63 A I E + J 0 72B 99 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.659 38.2 168.1 -80.6 129.2 8.3 17.1 38.3 64 64 A I E -EJ 15 71B 0 7,-2.7 7,-2.7 -2,-0.4 2,-0.4 -0.994 27.8-145.1-146.5 130.7 10.3 20.0 37.0 65 65 A E E -EJ 14 70B 60 -51,-2.5 -51,-2.3 -2,-0.4 2,-0.5 -0.880 17.7-168.6 -93.9 134.4 10.5 23.6 38.1 66 66 A I E > -EJ 13 69B 0 3,-2.8 3,-2.8 -2,-0.4 -53,-0.2 -0.985 69.7 -29.3-130.6 113.0 11.0 26.1 35.3 67 67 A A T 3 S- 0 0 39 -55,-2.5 -54,-0.1 -2,-0.5 -1,-0.1 0.855 128.1 -47.8 52.9 36.6 11.9 29.7 36.0 68 68 A G T 3 S+ 0 0 57 -56,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.504 116.4 114.7 82.8 2.4 10.0 29.2 39.3 69 69 A H E < - J 0 66B 68 -3,-2.8 -3,-2.8 0, 0.0 2,-0.6 -0.892 64.2-125.6-107.9 136.7 6.9 27.6 37.8 70 70 A K E + J 0 65B 119 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.755 31.7 172.7 -92.5 123.8 6.0 24.1 38.5 71 71 A A E - 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