==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-00 1G6L . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR B.PILLAI,K.K.KANNAN,M.V.HOSUR . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.6 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 . 74 37.4 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 . 19 9.6 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 0 5 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 95 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 130.7 -27.9 30.9 25.7 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.967 360.0-166.6-112.3 127.5 -25.5 31.7 28.6 3 3 A V E -A 197 0A 35 194,-3.0 194,-2.7 -2,-0.5 2,-0.2 -0.933 10.1-144.2-122.3 141.6 -24.5 28.7 30.6 4 4 A T E -A 196 0A 63 -2,-0.4 3,-0.4 192,-0.2 192,-0.1 -0.531 17.6-127.0 -94.0 173.0 -22.8 28.4 34.0 5 5 A L S S+ 0 0 0 190,-0.5 186,-0.2 -2,-0.2 185,-0.1 0.120 76.6 106.7-114.0 24.8 -20.3 25.8 34.9 6 6 A W S S+ 0 0 180 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.719 94.1 28.3 -71.4 -21.5 -21.8 24.3 38.1 7 7 A Q S S- 0 0 139 -3,-0.4 -1,-0.0 3,-0.0 0, 0.0 -0.914 110.1 -75.9-133.8 160.3 -22.7 21.3 36.0 8 8 A R - 0 0 98 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.331 48.0-119.7 -57.6 128.7 -21.1 19.8 32.9 9 9 A P + 0 0 8 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.559 46.8 175.4 -75.3 80.2 -22.1 22.0 29.9 10 10 A L E -D 23 0B 83 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.701 7.3-176.5 -88.4 141.9 -24.0 19.2 27.9 11 11 A V E -D 22 0B 9 11,-2.7 11,-2.4 -2,-0.3 2,-0.4 -0.951 27.3-114.3-138.8 150.6 -25.8 20.0 24.7 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.8 9,-0.2 56,-0.3 -0.750 35.8-175.4 -86.6 130.4 -28.0 18.0 22.3 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.4 -2,-0.4 2,-0.5 -0.882 19.4-149.4-123.2 155.0 -26.6 17.4 18.8 14 14 A K E +DE 19 65B 97 51,-0.9 51,-2.5 -2,-0.3 2,-0.3 -0.999 27.3 162.7-125.0 120.5 -28.0 15.8 15.7 15 15 A I E > -DE 18 64B 1 3,-2.2 3,-2.1 -2,-0.5 49,-0.1 -0.986 66.0 -4.9-139.0 133.0 -25.4 14.2 13.4 16 16 A G T 3 S- 0 0 46 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.854 129.0 -55.3 52.6 39.8 -26.0 11.6 10.7 17 17 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.531 116.7 113.0 72.7 7.1 -29.7 11.4 11.5 18 18 A Q E < -D 15 0B 61 -3,-2.1 -3,-2.2 19,-0.1 2,-0.5 -0.883 61.1-135.2-117.7 146.1 -28.9 10.5 15.1 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.813 34.1 158.4 -99.5 129.3 -29.5 12.4 18.4 20 20 A K E -D 13 0B 37 -7,-2.4 -7,-3.0 -2,-0.5 2,-0.4 -0.900 36.7-122.5-141.7 165.7 -26.6 12.5 21.0 21 21 A E E -D 12 0B 120 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.889 34.0-178.9-107.6 145.2 -25.5 14.6 24.0 22 22 A A E -D 11 0B 1 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.4 -0.982 26.4-110.9-144.3 157.4 -22.1 16.2 23.9 23 23 A L E -Df 10 84B 2 60,-3.0 62,-3.1 -2,-0.3 2,-0.9 -0.781 22.2-130.0 -91.9 133.1 -19.8 18.4 26.1 24 24 A L E - f 0 85B 3 -15,-2.6 2,-0.6 -2,-0.4 62,-0.1 -0.694 37.3-175.6 -78.2 108.7 -19.0 22.0 25.1 25 25 A D > + 0 0 15 60,-2.1 3,-1.8 -2,-0.9 62,-0.3 -0.805 25.2 177.3-120.9 95.9 -15.2 21.7 25.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.650 83.7 62.9 -68.3 -14.9 -13.1 24.9 25.2 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.465 88.8 81.2 -90.2 1.8 -10.0 22.9 26.0 28 28 A A < - 0 0 18 -3,-1.8 59,-3.1 57,-0.2 60,-0.2 -0.911 57.7-163.8-110.7 127.9 -10.3 20.6 23.0 29 29 A D S S+ 0 0 58 -2,-0.4 59,-1.4 57,-0.2 2,-0.2 0.903 78.3 44.1 -71.6 -40.0 -9.1 21.7 19.6 30 30 A D S S- 0 0 61 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.600 82.8-116.8-104.7 164.6 -11.0 18.9 17.8 31 31 A T - 0 0 0 43,-0.4 45,-2.2 -2,-0.2 2,-0.4 -0.852 34.1-174.0-101.7 128.9 -14.5 17.4 18.0 32 32 A V E -gH 76 84B 8 52,-1.8 52,-2.9 -2,-0.5 2,-0.3 -0.981 1.1-172.0-130.1 125.2 -14.4 13.8 19.1 33 33 A L E -g 77 0B 0 43,-3.4 45,-3.0 -2,-0.4 47,-0.2 -0.834 29.3-100.1-120.5 153.4 -17.4 11.5 19.2 34 34 A E E -g 78 0B 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.197 66.2 -66.1 -57.6 155.1 -18.1 8.0 20.5 35 35 A E S S+ 0 0 120 43,-0.6 2,-0.3 45,-0.2 -1,-0.2 -0.174 75.9 152.6 -49.0 128.1 -18.1 5.2 17.9 36 36 A M - 0 0 14 -3,-0.1 2,-0.7 2,-0.0 -3,-0.0 -0.983 51.2 -86.6-157.1 164.2 -21.1 5.7 15.6 37 37 A S + 0 0 91 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.649 50.3 166.4 -81.0 112.3 -22.4 5.1 12.1 38 38 A L - 0 0 17 -2,-0.7 2,-0.3 2,-0.1 -2,-0.0 -0.964 29.2-127.6-128.0 138.4 -21.2 7.8 9.8 39 39 A P + 0 0 99 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.691 60.8 30.5 -90.2 143.9 -21.4 7.7 6.0 40 40 A G S S- 0 0 63 -2,-0.3 2,-0.2 19,-0.0 -2,-0.1 -0.626 90.4 -35.6 115.8-174.4 -18.5 8.4 3.7 41 41 A R + 0 0 143 -2,-0.2 19,-0.3 19,-0.1 2,-0.3 -0.562 55.0 178.2 -85.8 151.8 -14.8 8.1 3.4 42 42 A W - 0 0 113 -2,-0.2 17,-0.2 17,-0.1 15,-0.1 -0.856 19.6-134.1-143.5 177.5 -12.6 8.7 6.4 43 43 A K E -I 58 0B 101 15,-1.2 15,-3.5 -2,-0.3 2,-0.1 -0.992 26.4-109.5-140.8 140.1 -8.9 8.6 7.3 44 44 A P E +I 57 0B 88 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.423 44.7 172.2 -66.6 147.4 -7.1 7.1 10.3 45 45 A K E -I 56 0B 68 11,-2.4 11,-3.2 -2,-0.1 2,-0.4 -0.958 26.1-137.6-153.2 163.5 -5.7 9.7 12.7 46 46 A M E -I 55 0B 104 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.996 19.0-173.3-129.7 128.7 -4.1 9.7 16.1 47 47 A I E -I 54 0B 14 7,-2.6 7,-2.5 -2,-0.4 2,-0.3 -0.955 14.2-137.4-125.8 146.2 -4.9 12.3 18.8 48 48 A G E +I 53 0B 47 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.714 30.4 149.5-100.4 155.7 -3.3 12.9 22.2 49 49 A G E > -I 52 0B 24 3,-1.5 3,-1.4 -2,-0.3 2,-0.2 -0.854 57.4 -52.3-159.8-172.9 -5.0 13.6 25.5 50 50 A I T 3 S+ 0 0 31 -2,-0.3 101,-2.1 1,-0.2 102,-0.6 -0.565 129.3 28.2 -69.9 142.6 -4.5 13.0 29.2 51 51 A G T 3 S- 0 0 30 128,-0.4 2,-0.3 100,-0.2 -1,-0.2 0.229 127.4 -79.1 90.1 -18.2 -3.8 9.4 29.6 52 52 A G E < -I 49 0B 24 -3,-1.4 -3,-1.5 100,-0.2 99,-0.3 -0.852 65.0 -31.5 129.4-161.3 -2.3 9.1 26.1 53 53 A F E -I 48 0B 153 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.731 38.9-165.8-108.0 150.7 -3.2 8.8 22.5 54 54 A I E -I 47 0B 22 -7,-2.5 -7,-2.6 -2,-0.3 2,-0.4 -0.966 22.1-123.4-132.3 146.4 -6.1 7.2 20.6 55 55 A K E -I 46 0B 116 -2,-0.3 -9,-0.3 -9,-0.2 2,-0.3 -0.772 35.9-180.0 -89.4 133.4 -6.5 6.3 17.0 56 56 A V E -I 45 0B 2 -11,-3.2 -11,-2.4 -2,-0.4 2,-0.5 -0.830 30.5-119.2-129.4 165.8 -9.6 7.8 15.4 57 57 A R E -IJ 44 77B 57 20,-1.8 20,-2.2 -2,-0.3 2,-0.5 -0.933 32.8-142.4-105.5 127.3 -11.3 7.9 11.9 58 58 A Q E -IJ 43 76B 33 -15,-3.5 -15,-1.2 -2,-0.5 2,-0.4 -0.845 18.1-175.4-100.3 131.7 -11.5 11.4 10.6 59 59 A Y E - J 0 75B 5 16,-2.3 16,-2.4 -2,-0.5 3,-0.3 -0.961 9.4-157.1-121.4 135.3 -14.5 12.6 8.6 60 60 A D E + 0 0 32 -2,-0.4 14,-0.2 -19,-0.3 -19,-0.1 -0.742 69.1 24.4-108.8 163.1 -14.5 16.1 7.0 61 61 A Q E S+ 0 0 140 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.836 75.4 161.4 54.6 39.3 -17.6 18.2 6.0 62 62 A I E - J 0 73B 22 11,-3.2 11,-1.9 -3,-0.3 2,-0.4 -0.786 35.7-133.8 -91.8 131.7 -19.9 16.6 8.5 63 63 A L E - J 0 72B 78 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.728 27.4-178.6 -83.3 133.7 -23.1 18.6 9.2 64 64 A I E -EJ 15 71B 0 7,-2.9 7,-1.8 -2,-0.4 2,-0.8 -0.993 22.6-150.5-134.4 134.1 -23.9 18.9 12.9 65 65 A E E -EJ 14 70B 51 -51,-2.5 -51,-0.9 -2,-0.4 2,-0.7 -0.869 20.1-169.6-107.6 92.9 -26.8 20.6 14.5 66 66 A I E > S-EJ 13 69B 0 3,-1.6 3,-2.2 -2,-0.8 -53,-0.2 -0.773 73.6 -23.6 -85.2 114.2 -25.5 21.7 17.9 67 67 A C T 3 S- 0 0 58 -55,-2.8 -1,-0.3 -2,-0.7 -54,-0.1 0.849 128.7 -50.6 52.7 33.7 -28.3 23.0 20.1 68 68 A G T 3 S+ 0 0 60 -3,-0.5 2,-0.4 -56,-0.3 -1,-0.3 0.382 115.8 112.2 89.3 -7.5 -30.3 23.7 17.0 69 69 A H E < - 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