==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 11-MAY-97 1AJX . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR K.BACKBRO,T.UNGE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9664.0 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 . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.9 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 . 24 12.1 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 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 2 2 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 80 0, 0.0 198,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 153.0 29.9 39.0 5.1 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.946 360.0-156.7-115.4 111.1 29.9 36.9 2.0 3 3 A I E -A 197 0A 33 194,-3.2 194,-2.4 -2,-0.5 2,-0.2 -0.746 3.7-152.3-102.6 118.2 28.9 33.4 2.9 4 4 A T - 0 0 64 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.442 12.6-139.0 -74.2 159.0 29.8 30.3 0.8 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 -0.027 72.1 109.7-116.5 28.1 27.5 27.2 1.0 6 6 A W S S+ 0 0 172 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.803 93.9 23.9 -67.7 -31.5 30.1 24.5 1.0 7 7 A Q S S- 0 0 135 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.803 111.1 -74.2-124.7 170.5 29.0 24.1 4.6 8 8 A R - 0 0 110 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.458 50.0-117.8 -63.3 133.0 25.7 24.9 6.4 9 9 A P + 0 0 5 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.542 47.9 170.2 -79.4 81.1 25.5 28.7 6.9 10 10 A L E +D 23 0B 67 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.756 4.1 172.6 -92.3 140.2 25.5 28.7 10.7 11 11 A V E -D 22 0B 16 11,-2.8 11,-3.0 -2,-0.4 2,-0.4 -0.910 33.6-104.0-140.6 164.8 25.8 32.0 12.6 12 12 A T E -D 21 0B 79 -2,-0.3 55,-1.5 9,-0.2 2,-0.3 -0.741 34.4-170.5 -94.3 138.7 25.6 33.1 16.2 13 13 A I E -DE 20 66B 0 7,-3.1 7,-2.7 -2,-0.4 2,-0.5 -0.881 15.3-144.7-127.4 155.4 22.5 34.9 17.3 14 14 A K E +DE 19 65B 60 51,-1.6 51,-2.0 -2,-0.3 2,-0.4 -0.994 32.4 156.1-117.5 122.0 21.8 36.7 20.6 15 15 A I E > +D 18 0B 0 3,-3.1 3,-3.4 -2,-0.5 49,-0.1 -0.984 65.3 5.3-149.5 139.0 18.2 36.4 21.8 16 16 A G T 3 S- 0 0 49 47,-0.5 3,-0.1 -2,-0.4 48,-0.1 0.769 129.8 -63.7 58.9 23.7 16.8 36.7 25.3 17 17 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.490 116.2 120.0 78.0 -0.2 20.2 37.6 26.3 18 18 A Q E < -D 15 0B 84 -3,-3.4 -3,-3.1 2,-0.0 2,-0.4 -0.739 60.8-135.2 -99.8 144.7 21.2 34.1 25.2 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.837 33.9 167.1 -93.8 135.6 23.8 33.2 22.6 20 20 A K E -D 13 0B 36 -7,-2.7 -7,-3.1 -2,-0.4 2,-0.4 -0.962 35.4-116.3-145.7 161.1 22.7 30.4 20.2 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.831 38.9 175.6-100.9 133.2 23.7 28.9 16.8 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.8 -2,-0.4 2,-0.4 -0.982 29.5-120.9-141.0 156.6 21.3 29.2 13.9 23 23 A L E -Df 10 84B 4 60,-2.6 62,-2.8 -2,-0.3 2,-0.7 -0.833 22.3-130.6 -96.7 131.0 21.1 28.4 10.3 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.708 35.7-172.6 -77.9 112.9 20.5 31.3 7.6 25 25 A D > + 0 0 16 60,-2.6 3,-1.2 -2,-0.7 62,-0.3 -0.828 26.1 178.3-123.2 100.5 17.6 29.7 5.7 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.684 84.9 59.9 -73.3 -16.8 16.3 31.3 2.6 27 27 A G T 3 S+ 0 0 14 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.660 89.6 86.7 -83.9 -14.9 13.7 28.6 2.0 28 28 A A < - 0 0 20 -3,-1.2 59,-2.6 57,-0.2 60,-0.2 -0.749 58.8-163.0 -87.4 123.2 12.0 29.3 5.4 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.3 57,-0.2 2,-0.2 0.919 77.2 35.2 -67.0 -37.7 9.3 32.0 5.5 30 30 A D S S- 0 0 57 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.584 82.2-112.0-115.8 164.0 9.6 32.2 9.4 31 31 A T - 0 0 0 43,-0.4 45,-2.3 -2,-0.2 2,-0.4 -0.879 34.8-174.9 -95.0 133.1 12.2 32.0 12.0 32 32 A V E -gH 76 84B 10 52,-2.0 52,-2.9 -2,-0.5 2,-0.3 -0.993 2.3-174.6-136.0 122.9 11.8 29.0 14.3 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.5 -2,-0.4 47,-0.3 -0.867 31.5 -98.0-115.7 159.8 13.9 28.3 17.4 34 34 A E - 0 0 75 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.147 69.7 -53.8 -70.2 162.7 14.0 25.3 19.7 35 35 A E S S+ 0 0 107 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.071 79.1 133.6 -41.5 124.5 12.1 25.4 23.0 36 36 A M - 0 0 17 -3,-0.2 2,-0.5 2,-0.0 -3,-0.0 -0.955 51.8-103.8-162.7 167.1 12.9 28.5 25.1 37 37 A S + 0 0 98 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.913 31.9 177.9-113.1 133.8 10.9 31.0 27.1 38 38 A L - 0 0 17 -2,-0.5 2,-0.3 2,-0.1 -2,-0.0 -0.879 33.2-109.5-122.1 157.2 10.3 34.5 25.9 39 39 A P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 -0.670 71.7 56.3 -84.3 137.6 8.3 37.0 27.7 40 40 A G S S- 0 0 58 -2,-0.3 2,-0.3 19,-0.1 -2,-0.1 -0.749 87.9 -54.2 133.6 175.4 5.0 38.0 26.2 41 41 A R - 0 0 192 -2,-0.3 19,-0.4 19,-0.1 2,-0.3 -0.674 55.4-163.6 -86.3 147.5 1.7 36.8 25.1 42 42 A W - 0 0 92 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.935 12.9-145.5-135.4 160.5 1.9 34.1 22.4 43 43 A K E -I 58 0B 126 15,-1.6 15,-3.2 -2,-0.3 2,-0.2 -0.964 26.3-114.4-123.5 139.5 -0.4 32.5 19.9 44 44 A P E +I 57 0B 46 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.487 39.8 173.1 -73.7 149.1 -0.5 28.8 18.8 45 45 A K E -I 56 0B 78 11,-2.2 11,-2.7 -2,-0.2 2,-0.4 -0.974 26.2-140.5-150.8 154.5 0.5 28.1 15.2 46 46 A M E -I 55 0B 98 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.976 19.7-173.6-116.4 129.2 1.2 25.0 13.1 47 47 A I E -I 54 0B 24 7,-2.9 7,-3.0 -2,-0.4 2,-0.3 -0.994 6.9-161.8-123.9 143.1 4.1 25.1 10.6 48 48 A G E +I 53 0B 38 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.836 21.2 138.6-124.3 157.8 4.8 22.3 8.1 49 49 A G E > -I 52 0B 22 3,-2.3 3,-2.7 -2,-0.3 2,-0.2 -0.782 63.6 -14.0-159.9-151.4 7.6 21.2 6.0 50 50 A I T 3 S+ 0 0 22 1,-0.3 101,-2.0 -2,-0.2 102,-0.5 -0.471 134.6 24.5 -62.6 125.2 9.4 18.1 4.9 51 51 A G T 3 S- 0 0 29 128,-0.4 -1,-0.3 100,-0.2 2,-0.2 0.312 123.6 -84.7 100.5 -9.0 8.0 15.6 7.2 52 52 A G E < -I 49 0B 30 -3,-2.7 -3,-2.3 100,-0.1 2,-0.2 -0.663 66.0 -31.6 110.8-161.9 4.8 17.3 8.1 53 53 A F E -I 48 0B 145 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 -0.644 39.4-163.7-107.1 156.2 3.7 19.9 10.6 54 54 A I E -I 47 0B 22 -7,-3.0 -7,-2.9 -2,-0.2 2,-0.4 -0.914 23.5-121.3-132.3 149.5 4.8 21.0 14.1 55 55 A K E +I 46 0B 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.811 37.8 174.3 -92.0 135.6 2.9 23.1 16.6 56 56 A V E -I 45 0B 1 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.5 -0.870 33.4-116.8-135.2 163.8 4.8 26.2 17.7 57 57 A R E -IJ 44 77B 52 20,-2.5 20,-2.1 -2,-0.3 2,-0.6 -0.942 29.9-142.1-104.5 126.3 4.2 29.3 19.9 58 58 A Q E -IJ 43 76B 42 -15,-3.2 -15,-1.6 -2,-0.5 2,-0.5 -0.814 17.8-174.9 -95.8 121.0 4.3 32.6 17.9 59 59 A Y E - J 0 75B 8 16,-3.5 16,-2.7 -2,-0.6 3,-0.3 -0.973 10.9-152.6-113.5 132.8 5.9 35.6 19.7 60 60 A D E + 0 0 78 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.552 66.6 22.8-104.7 157.5 5.8 39.0 17.9 61 61 A Q E S+ 0 0 160 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.903 76.7 162.7 61.3 46.8 8.1 41.9 18.2 62 62 A I E - J 0 73B 19 11,-2.9 11,-1.9 -3,-0.3 2,-0.4 -0.820 33.4-133.4 -98.0 141.6 11.1 40.0 19.4 63 63 A L E + J 0 72B 78 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.757 28.5 174.7 -94.0 135.9 14.5 41.5 19.2 64 64 A I E - J 0 71B 0 7,-2.9 7,-2.4 -2,-0.4 2,-0.6 -0.998 24.2-144.7-136.3 149.6 17.4 39.5 17.8 65 65 A E E -EJ 14 70B 50 -51,-2.0 -51,-1.6 -2,-0.4 2,-0.7 -0.937 15.4-169.7-116.5 115.0 20.9 40.2 17.0 66 66 A I E > S-EJ 13 69B 0 3,-2.6 3,-2.7 -2,-0.6 -53,-0.2 -0.899 74.8 -31.1-108.0 110.1 22.3 38.4 14.0 67 67 A C T 3 S- 0 0 53 -55,-1.5 -1,-0.2 -2,-0.7 -54,-0.1 0.925 127.3 -46.9 51.1 41.3 26.0 38.6 13.5 68 68 A G T 3 S+ 0 0 53 1,-0.2 2,-0.7 -3,-0.2 -1,-0.3 0.422 114.5 113.4 85.0 -7.7 25.8 42.0 15.1 69 69 A H E < - J 0 66B 69 -3,-2.7 -3,-2.6 2,-0.0 -1,-0.2 -0.910 62.5-136.6-104.6 118.5 22.9 43.4 13.2 70 70 A K E + J 0 65B 129 -2,-0.7 2,-0.3 -5,-0.3 -5,-0.2 -0.419 28.0 177.2 -65.6 148.6 19.8 44.0 15.3 71 71 A A E - 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