==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-OCT-99 1D4J . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR T.UNGE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 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 . 69 34.8 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 . 26 13.1 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 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 4 1 0 0 3 1 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 86 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 166.4 30.1 39.2 4.9 2 2 A Q E -A 198 0A 134 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.970 360.0-159.8-114.4 120.3 29.8 36.7 2.0 3 3 A I E -A 197 0A 36 194,-3.3 194,-2.6 -2,-0.5 2,-0.1 -0.895 3.2-150.8-108.1 122.5 28.8 33.2 3.1 4 4 A T - 0 0 71 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.423 13.3-134.4 -82.1 164.3 29.5 30.2 0.8 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.080 72.9 108.9-112.5 25.6 27.3 27.2 1.0 6 6 A W S S+ 0 0 171 2,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.853 93.6 25.1 -65.4 -33.4 29.8 24.3 1.0 7 7 A Q S S- 0 0 145 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.768 112.5 -73.2-122.4 168.5 28.7 23.9 4.7 8 8 A R - 0 0 114 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.422 51.2-116.7 -62.6 135.6 25.5 24.8 6.4 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.515 48.8 171.5 -78.8 80.0 25.4 28.5 6.9 10 10 A L E +D 23 0B 72 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.730 5.2 174.7 -93.4 137.0 25.4 28.6 10.7 11 11 A V E -D 22 0B 15 11,-2.9 11,-3.0 -2,-0.4 2,-0.4 -0.884 33.0-105.7-134.6 165.8 25.7 31.9 12.6 12 12 A T E -D 21 0B 84 -2,-0.3 55,-1.9 9,-0.2 2,-0.3 -0.793 36.4-172.3 -95.9 135.8 25.6 33.0 16.2 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.7 -2,-0.4 2,-0.5 -0.895 16.0-144.5-125.4 156.7 22.5 34.9 17.3 14 14 A K E +DE 19 65B 86 51,-1.9 51,-2.4 -2,-0.3 2,-0.4 -0.988 25.8 164.1-124.0 120.6 21.7 36.6 20.6 15 15 A I E > -D 18 0B 1 3,-2.5 3,-0.5 -2,-0.5 49,-0.1 -0.963 69.0 -8.1-141.5 121.1 18.1 36.5 21.8 16 16 A G T 3 S- 0 0 64 47,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.900 129.9 -53.1 62.7 42.1 17.0 37.3 25.3 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.723 116.3 118.0 66.6 20.9 20.5 37.6 26.6 18 18 A Q E < -D 15 0B 84 -3,-0.5 -3,-2.5 2,-0.0 2,-0.5 -0.964 58.2-141.1-124.5 138.5 21.3 34.2 25.2 19 19 A L E +D 14 0B 125 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.828 30.6 167.0 -97.0 131.1 23.8 33.1 22.5 20 20 A K E -D 13 0B 33 -7,-2.7 -7,-3.3 -2,-0.5 2,-0.4 -0.961 35.3-119.1-140.9 156.8 22.6 30.4 20.2 21 21 A E E +D 12 0B 119 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.822 38.7 178.5 -97.4 136.1 23.7 28.9 16.9 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.9 -2,-0.4 2,-0.5 -0.974 27.7-119.7-140.9 156.0 21.2 29.2 14.0 23 23 A L E -Df 10 84B 5 60,-2.8 62,-3.3 -2,-0.3 2,-1.0 -0.802 20.9-132.1 -97.7 128.8 20.9 28.4 10.4 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.713 36.0-174.2 -78.5 107.9 20.4 31.2 7.8 25 25 A D > - 0 0 17 60,-2.8 3,-1.3 -2,-1.0 62,-0.3 -0.856 26.1-179.9-117.1 100.2 17.5 29.5 5.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.703 85.7 61.8 -68.1 -18.9 16.1 31.2 2.8 27 27 A G T 3 S+ 0 0 17 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.617 87.9 84.2 -81.3 -13.5 13.6 28.4 2.4 28 28 A A < - 0 0 17 -3,-1.3 59,-3.0 57,-0.2 60,-0.2 -0.812 62.6-159.3 -94.1 123.5 11.9 29.2 5.8 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.884 78.7 23.6 -66.5 -38.6 9.3 32.0 5.6 30 30 A D S S- 0 0 48 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.773 87.4 -98.7-125.4 170.5 9.7 32.6 9.4 31 31 A T E -g 75 0B 0 43,-0.6 45,-3.0 -2,-0.3 2,-0.4 -0.724 35.9-174.0 -90.8 132.5 12.2 32.2 12.1 32 32 A V E -gH 76 84B 6 52,-1.6 52,-3.0 -2,-0.4 2,-0.3 -0.991 0.2-171.7-132.9 128.2 11.7 29.1 14.4 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.3 -2,-0.4 47,-0.2 -0.843 30.9 -96.9-118.4 154.7 13.8 28.4 17.5 34 34 A E - 0 0 81 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.185 69.9 -57.8 -61.7 160.3 14.0 25.3 19.8 35 35 A E S S+ 0 0 109 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.090 79.3 138.3 -43.7 128.2 11.9 25.4 23.0 36 36 A M - 0 0 20 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.966 53.5 -93.9-165.0 166.0 12.8 28.4 25.2 37 37 A S + 0 0 104 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.797 39.8 175.8 -96.5 130.0 11.1 31.0 27.3 38 38 A L - 0 0 13 -2,-0.5 -2,-0.0 2,-0.1 2,-0.0 -0.975 29.6-112.2-130.9 144.8 10.2 34.3 25.8 39 39 A P S S+ 0 0 109 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.309 72.0 34.1 -72.7 158.8 8.4 37.3 27.4 40 40 A G S S- 0 0 63 19,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.163 93.6 -45.3 92.4 173.9 4.9 38.4 26.2 41 41 A R - 0 0 214 -2,-0.0 19,-0.5 19,-0.0 2,-0.3 -0.437 53.4-165.8 -79.1 155.7 1.8 36.8 24.9 42 42 A W - 0 0 122 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.956 12.0-139.9-141.9 158.8 1.9 34.2 22.1 43 43 A K E -I 58 0B 106 15,-1.5 15,-3.2 -2,-0.3 2,-0.1 -0.932 26.3-112.8-121.2 144.9 -0.5 32.5 19.7 44 44 A P E +I 57 0B 94 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.492 42.0 172.0 -74.3 146.8 -0.6 28.8 18.7 45 45 A K E -I 56 0B 73 11,-1.9 11,-2.7 -2,-0.1 2,-0.5 -0.982 27.4-138.0-152.7 156.0 0.3 28.1 15.1 46 46 A M E -I 55 0B 113 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.981 20.0-172.2-120.0 126.5 1.0 25.1 12.9 47 47 A I E -I 54 0B 29 7,-2.2 7,-2.1 -2,-0.5 2,-0.4 -0.961 8.4-151.1-121.5 139.9 3.9 25.1 10.4 48 48 A G E +I 53 0B 43 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.906 27.4 142.6-114.5 137.0 4.6 22.5 7.8 49 49 A G E > -I 52 0B 21 3,-2.5 3,-1.3 -2,-0.4 2,-0.3 -0.511 62.7 -27.6-140.0-151.7 7.9 21.5 6.3 50 50 A I T 3 S+ 0 0 27 1,-0.2 101,-2.0 -2,-0.2 102,-0.8 -0.568 132.3 21.2 -69.7 128.4 9.6 18.4 5.2 51 51 A G T 3 S- 0 0 32 -2,-0.3 2,-0.3 128,-0.3 -1,-0.2 0.165 123.5 -77.2 101.0 -21.3 8.2 15.5 7.2 52 52 A G E < -I 49 0B 26 -3,-1.3 -3,-2.5 100,-0.2 2,-0.3 -0.878 67.9 -31.2 130.2-161.8 4.9 17.2 8.2 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.679 39.2-168.2-102.9 153.3 3.6 19.8 10.7 54 54 A I E -I 47 0B 20 -7,-2.1 -7,-2.2 -2,-0.3 2,-0.5 -0.955 25.5-118.8-133.4 151.3 4.7 20.9 14.2 55 55 A K E +I 46 0B 147 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.792 38.0 176.7 -93.7 133.9 2.9 23.1 16.6 56 56 A V E -I 45 0B 3 -11,-2.7 -11,-1.9 -2,-0.5 2,-0.5 -0.840 31.3-117.4-131.1 167.7 4.8 26.2 17.6 57 57 A R E -IJ 44 77B 48 20,-2.8 20,-2.4 -2,-0.3 2,-0.6 -0.940 28.9-140.8-108.1 126.6 4.2 29.3 19.8 58 58 A Q E -IJ 43 76B 40 -15,-3.2 -15,-1.5 -2,-0.5 2,-0.4 -0.800 19.2-176.3 -95.0 117.2 4.2 32.6 17.9 59 59 A Y E - J 0 75B 10 16,-2.8 16,-2.7 -2,-0.6 3,-0.3 -0.897 11.1-152.7-109.6 139.4 5.9 35.6 19.6 60 60 A D E + 0 0 74 -19,-0.5 14,-0.1 -2,-0.4 -19,-0.0 -0.681 66.3 20.3-109.9 164.2 5.8 39.0 17.9 61 61 A Q E S+ 0 0 161 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.830 77.8 163.8 51.1 40.5 8.1 42.0 18.1 62 62 A I E - J 0 73B 22 11,-2.1 11,-1.9 -3,-0.3 2,-0.4 -0.731 32.3-135.5 -91.0 136.0 11.0 40.0 19.3 63 63 A L E + J 0 72B 82 -2,-0.4 -47,-0.4 9,-0.2 2,-0.4 -0.769 27.2 175.0 -93.3 132.1 14.5 41.5 19.1 64 64 A I E - J 0 71B 1 7,-3.0 7,-1.8 -2,-0.4 2,-0.7 -0.998 25.6-143.2-137.2 140.5 17.4 39.4 17.8 65 65 A E E -EJ 14 70B 69 -51,-2.4 -51,-1.9 -2,-0.4 2,-0.7 -0.913 19.7-165.7-104.6 112.4 21.0 40.2 17.1 66 66 A I E > -EJ 13 69B 0 3,-3.0 3,-2.8 -2,-0.7 -53,-0.2 -0.884 69.7 -33.8-103.9 113.8 22.1 38.2 14.0 67 67 A C T 3 S- 0 0 63 -55,-1.9 -1,-0.2 -2,-0.7 -54,-0.1 0.816 129.3 -41.6 47.6 35.4 25.9 38.1 13.5 68 68 A G T 3 S+ 0 0 62 1,-0.3 2,-0.4 -56,-0.2 -1,-0.3 0.260 116.6 110.6 100.1 -12.8 26.0 41.6 14.9 69 69 A H E < - 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