==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-98 1BDR . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.A.SWAIRJO,S.S.ABDEL-MEGUID . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 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 . 25 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 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 2 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 0 PARALLEL BRIDGES PER LADDER . 2 0 5 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 74 0, 0.0 198,-1.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 162.7 -12.6 38.7 29.8 2 2 A Q E -A 198 0A 140 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.939 360.0-164.3-107.3 121.7 -14.4 37.3 26.8 3 3 A I E -A 197 0A 35 194,-3.0 194,-2.4 -2,-0.5 2,-0.3 -0.947 6.8-152.5-108.4 124.0 -12.2 34.7 25.1 4 4 A T E > -A 196 0A 67 -2,-0.5 3,-0.6 192,-0.2 192,-0.2 -0.715 20.1-128.8 -88.8 154.2 -13.1 33.6 21.5 5 5 A L T 3 S+ 0 0 1 190,-0.9 186,-0.2 -2,-0.3 185,-0.1 0.132 79.2 105.3 -95.4 27.6 -12.0 30.0 20.7 6 6 A W T 3 S+ 0 0 186 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.800 91.3 31.6 -73.6 -24.8 -10.1 30.5 17.5 7 7 A Q S < S- 0 0 119 -3,-0.6 0, 0.0 3,-0.0 0, 0.0 -0.828 112.4 -80.0-123.5 158.8 -6.8 30.1 19.4 8 8 A R - 0 0 105 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.445 44.6-116.8 -60.6 135.4 -6.4 27.9 22.6 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.541 49.9 167.9 -76.8 78.1 -7.7 29.6 25.7 10 10 A L E +D 23 0B 88 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.815 7.0 177.1 -92.7 134.5 -4.3 29.8 27.5 11 11 A V E -D 22 0B 13 11,-2.6 11,-2.8 -2,-0.4 2,-0.3 -0.916 31.5 -99.9-137.9 157.6 -4.2 32.0 30.6 12 12 A T E -D 21 0B 82 -2,-0.3 55,-3.0 9,-0.2 2,-0.3 -0.663 35.5-170.6 -82.8 139.3 -1.6 32.9 33.3 13 13 A I E -DE 20 66B 2 7,-3.0 7,-2.2 -2,-0.3 2,-0.5 -0.929 17.3-156.7-130.8 148.1 -1.7 31.2 36.7 14 14 A K E +DE 19 65B 107 51,-1.6 51,-1.9 -2,-0.3 2,-0.4 -0.994 24.9 173.0-125.0 108.9 0.3 31.9 39.9 15 15 A I E > -DE 18 64B 0 3,-2.9 3,-1.8 -2,-0.5 49,-0.2 -0.981 66.5 -23.7-131.9 114.9 0.3 28.7 41.9 16 16 A G T 3 S- 0 0 49 47,-1.2 2,-0.2 -2,-0.4 21,-0.1 0.877 124.8 -53.0 54.1 43.2 2.4 28.3 45.0 17 17 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 -0.043 115.7 112.6 86.5 -32.1 4.7 31.0 43.9 18 18 A Q E < -D 15 0B 60 -3,-1.8 -3,-2.9 -2,-0.2 2,-0.4 -0.558 59.3-143.0 -79.3 137.0 5.4 29.4 40.5 19 19 A L E +D 14 0B 128 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.846 34.6 149.7 -99.1 132.3 4.1 31.2 37.4 20 20 A K E -D 13 0B 95 -7,-2.2 -7,-3.0 -2,-0.4 2,-0.4 -0.917 42.4-110.9-154.2 170.0 2.8 29.0 34.5 21 21 A E E -D 12 0B 93 -2,-0.3 62,-0.4 -9,-0.2 2,-0.4 -0.911 32.6-172.3-110.6 141.9 0.2 29.1 31.7 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.6 -2,-0.4 2,-0.3 -0.990 23.6-119.1-141.3 145.0 -2.9 26.9 31.8 23 23 A L E -Df 10 84B 6 60,-3.0 62,-2.5 -2,-0.4 2,-0.7 -0.637 25.1-127.5 -80.7 131.9 -5.7 26.0 29.5 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.5 -2,-0.3 62,-0.2 -0.772 35.7-170.0 -80.5 116.7 -9.2 26.9 30.6 25 25 A D > - 0 0 15 60,-2.6 3,-1.1 -2,-0.7 62,-0.4 -0.885 27.3-179.7-123.0 109.4 -11.0 23.6 30.1 26 26 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 98,-0.1 0.722 86.9 61.3 -71.0 -24.1 -14.8 23.1 30.3 27 27 A G T 3 S+ 0 0 24 96,-0.1 2,-0.4 81,-0.1 -1,-0.3 0.024 89.4 83.6 -91.1 22.2 -14.4 19.4 29.6 28 28 A A < - 0 0 18 -3,-1.1 59,-2.9 57,-0.1 60,-0.2 -0.999 54.3-167.9-130.3 124.3 -12.3 18.8 32.7 29 29 A D S S+ 0 0 63 -2,-0.4 59,-1.3 57,-0.2 2,-0.2 0.866 78.8 37.1 -70.9 -42.0 -13.9 18.2 36.1 30 30 A D S S- 0 0 44 57,-0.2 2,-0.4 58,-0.1 57,-0.2 -0.575 80.7-121.1-107.0 168.1 -10.6 18.6 37.9 31 31 A S E -g 75 0B 1 43,-0.5 45,-1.7 -2,-0.2 2,-0.4 -0.920 26.4-175.4-115.0 137.4 -7.5 20.7 37.5 32 32 A V E -gH 76 84B 6 52,-1.4 52,-2.2 -2,-0.4 2,-0.4 -0.995 2.4-172.4-139.4 125.0 -4.1 19.2 37.0 33 33 A V E -g 77 0B 0 43,-2.3 45,-1.0 -2,-0.4 2,-0.3 -0.940 10.8-147.5-121.8 143.8 -0.7 21.0 36.8 34 34 A A S S+ 0 0 31 -2,-0.4 49,-0.0 43,-0.2 43,-0.0 -0.748 70.1 19.1-106.9 151.7 2.7 19.5 35.8 35 35 A G S S+ 0 0 82 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.194 84.7 125.5 81.0 -13.0 6.2 20.4 37.1 36 36 A I - 0 0 17 -18,-0.0 2,-0.5 -3,-0.0 -1,-0.2 -0.516 55.5-135.3 -88.5 152.1 5.3 22.3 40.3 37 37 A E - 0 0 161 -2,-0.2 -19,-0.2 -21,-0.1 -1,-0.0 -0.855 30.7-163.0 -94.6 130.4 6.6 21.7 43.8 38 38 A L - 0 0 22 -2,-0.5 2,-0.2 2,-0.1 -22,-0.0 -0.974 12.9-123.2-130.3 132.6 3.7 21.8 46.2 39 39 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 -0.443 65.3 8.7 -59.3 137.7 3.5 22.2 50.0 40 40 A G S S- 0 0 74 -2,-0.2 2,-0.2 19,-0.1 -2,-0.1 -0.765 90.1 -32.5 108.4-146.2 1.8 19.8 52.4 41 41 A R - 0 0 226 -2,-0.3 2,-0.3 19,-0.1 19,-0.3 -0.716 45.3-164.2-119.1 166.4 0.2 16.4 52.1 42 42 A W - 0 0 99 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.979 14.5-140.9-155.9 156.8 -1.7 14.5 49.5 43 43 A K E -I 58 0B 127 15,-1.4 15,-1.8 -2,-0.3 2,-0.3 -0.664 36.6-105.0-105.5 156.8 -4.0 11.5 48.9 44 44 A P E +I 57 0B 83 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.683 44.7 162.6 -77.2 149.5 -3.8 9.1 45.7 45 45 A K E -I 56 0B 62 11,-1.3 11,-2.7 -2,-0.3 2,-0.4 -0.920 27.0-145.9-162.1 141.1 -6.4 9.5 43.0 46 46 A M E -I 55 0B 100 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.970 17.2-169.1-116.7 135.4 -6.2 8.3 39.5 47 47 A I E -I 54 0B 21 7,-2.3 7,-2.7 -2,-0.4 2,-0.4 -0.899 4.7-160.0-121.5 150.6 -7.9 10.5 36.8 48 48 A G E +I 53 0B 43 -2,-0.3 5,-0.3 5,-0.3 103,-0.1 -0.995 17.4 168.2-146.3 139.2 -8.6 9.5 33.1 49 49 A G - 0 0 32 3,-1.6 2,-0.2 101,-0.7 102,-0.0 -0.005 64.2 -40.0-109.8-146.0 -9.3 11.1 29.8 50 50 A I S S+ 0 0 20 1,-0.2 2,-0.9 102,-0.1 -1,-0.3 -0.628 131.6 30.9 -77.4 148.5 -9.2 9.6 26.3 51 51 A G S S- 0 0 47 128,-0.3 2,-0.3 -2,-0.2 -1,-0.2 -0.433 122.6 -59.7 96.2 -61.7 -6.2 7.2 26.2 52 52 A G - 0 0 26 -2,-0.9 -3,-1.6 98,-0.7 2,-0.3 -0.997 56.2 -59.8 171.1-175.0 -6.2 6.2 29.8 53 53 A F E -I 48 0B 144 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.697 39.4-166.1 -95.9 151.2 -6.0 6.8 33.6 54 54 A I E -I 47 0B 26 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.5 -0.929 25.2-112.3-138.2 153.1 -3.0 8.4 35.2 55 55 A K E +I 46 0B 97 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.794 40.3 177.0 -89.4 126.0 -2.0 8.5 38.8 56 56 A V E -I 45 0B 0 -11,-2.7 -11,-1.3 -2,-0.5 2,-0.5 -0.833 28.2-125.4-127.4 163.6 -2.1 12.1 40.3 57 57 A R E -IJ 44 77B 93 20,-1.8 20,-3.0 -2,-0.3 2,-0.6 -0.971 25.2-147.8-109.6 125.6 -1.5 13.5 43.7 58 58 A Q E -IJ 43 76B 25 -15,-1.8 -15,-1.4 -2,-0.5 2,-0.5 -0.890 16.2-178.8-109.9 124.6 -4.3 15.6 45.1 59 59 A Y E - J 0 75B 8 16,-2.2 16,-2.2 -2,-0.6 3,-0.3 -0.930 14.6-154.3-113.3 132.7 -3.7 18.5 47.4 60 60 A D E S+ 0 0 86 -2,-0.5 14,-0.2 -19,-0.3 -19,-0.1 -0.667 70.6 33.2-103.0 165.7 -6.8 20.3 48.6 61 61 A Q E S+ 0 0 160 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.892 76.0 158.9 51.6 50.1 -6.9 24.0 49.7 62 62 A I E - J 0 73B 19 11,-2.0 11,-1.4 -3,-0.3 2,-0.7 -0.829 39.6-129.7-101.2 137.3 -4.2 25.2 47.3 63 63 A L E + J 0 72B 103 -2,-0.4 -47,-1.2 9,-0.2 2,-0.3 -0.819 33.6 172.2 -93.9 119.1 -4.2 29.0 46.4 64 64 A I E -EJ 15 71B 1 7,-2.3 7,-2.2 -2,-0.7 2,-0.5 -0.888 22.1-152.3-122.9 146.5 -4.1 29.5 42.7 65 65 A E E -EJ 14 70B 64 -51,-1.9 -51,-1.6 -2,-0.3 2,-0.7 -0.960 9.5-166.5-126.2 109.6 -4.4 32.9 40.9 66 66 A I E > S-EJ 13 69B 0 3,-2.2 3,-2.2 -2,-0.5 -53,-0.2 -0.906 74.3 -30.2-101.2 108.6 -5.9 32.5 37.5 67 67 A C T 3 S- 0 0 55 -55,-3.0 -1,-0.2 -2,-0.7 -54,-0.1 0.911 124.3 -46.6 45.0 60.4 -5.4 35.8 35.6 68 68 A G T 3 S+ 0 0 56 -3,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.337 116.6 112.7 69.3 -9.6 -5.5 38.1 38.7 69 69 A H E < - J 0 66B 66 -3,-2.2 -3,-2.2 2,-0.0 2,-0.3 -0.849 61.5-143.9 -93.9 126.3 -8.7 36.3 40.0 70 70 A K E + J 0 65B 156 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.719 27.1 163.9 -91.4 144.9 -7.8 34.3 43.2 71 71 A A E - J 0 64B 8 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.4 -0.971 25.8-144.9-156.6 153.6 -9.4 31.0 44.0 72 72 A I E + J 0 63B 70 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -1.000 41.3 117.9-129.3 127.7 -8.8 28.0 46.3 73 73 A G E - 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