==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-DEC-03 1RPI . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR B.C.LOGSDON,J.F.VICKREY,P.MARTIN,G.PROTEASA,J.I.KOEPKE, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 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 . 68 34.3 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 . 32 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.5 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 0 0 1 1 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 4 1 0 1 1 3 1 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,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 157.2 56.6 -26.3 -21.3 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.974 360.0-164.8-115.5 118.2 56.4 -25.8 -17.5 3 3 A I E -A 197 0A 33 194,-3.3 194,-2.5 -2,-0.5 2,-0.1 -0.883 5.2-153.1-111.5 115.4 54.8 -22.5 -16.6 4 4 A T - 0 0 55 -2,-0.6 3,-0.5 192,-0.2 192,-0.1 -0.444 16.8-130.3 -77.2 158.4 55.2 -21.1 -13.1 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.089 74.5 108.7-106.2 29.6 52.5 -18.8 -11.8 6 6 A W S S+ 0 0 160 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.844 90.9 29.0 -68.7 -29.4 54.5 -15.8 -10.5 7 7 A Q S S- 0 0 112 -3,-0.5 0, 0.0 180,-0.0 0, 0.0 -0.801 111.9 -75.0-118.6 165.9 53.2 -13.8 -13.4 8 8 A R - 0 0 125 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.447 49.1-121.0 -57.4 131.4 50.0 -14.1 -15.4 9 9 A P + 0 0 5 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.456 48.5 167.0 -78.4 72.6 50.4 -17.2 -17.7 10 10 A I E -D 23 0B 69 -2,-2.3 2,-0.3 13,-0.2 13,-0.3 -0.713 10.4-177.4 -90.2 131.6 50.0 -15.3 -21.0 11 11 A V E -D 22 0B 11 11,-4.3 11,-4.1 -2,-0.4 2,-0.5 -0.843 28.3-107.1-129.7 168.2 50.9 -17.2 -24.1 12 12 A T E -D 21 0B 71 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.816 34.8-173.1 -95.0 127.8 51.2 -16.8 -27.9 13 13 A I E -DE 20 66B 1 7,-3.5 7,-3.4 -2,-0.5 2,-0.5 -0.878 19.1-141.3-118.3 153.7 48.6 -18.6 -30.0 14 14 A K E +DE 19 65B 91 51,-2.1 51,-1.9 -2,-0.3 2,-0.3 -0.972 33.9 158.4-111.3 118.1 48.4 -19.0 -33.8 15 15 A I E > -D 18 0B 1 3,-2.2 3,-1.9 -2,-0.5 49,-0.1 -0.992 67.3 -0.8-144.9 142.5 44.8 -18.7 -35.1 16 16 A G T 3 S- 0 0 52 47,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.834 126.5 -67.1 45.8 37.0 43.5 -17.9 -38.5 17 17 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 -3,-0.0 2,-0.0 0.181 113.4 122.9 71.8 -21.8 47.3 -17.6 -39.4 18 18 A Q E < -D 15 0B 90 -3,-1.9 -3,-2.2 1,-0.1 2,-0.6 -0.310 63.7-128.8 -68.6 148.0 47.3 -14.6 -37.1 19 19 A L E +D 14 0B 121 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.893 37.7 173.9-100.8 127.4 49.7 -14.4 -34.1 20 20 A K E -D 13 0B 16 -7,-3.4 -7,-3.5 -2,-0.6 2,-0.4 -0.915 30.6-125.0-134.7 162.0 47.9 -13.5 -30.9 21 21 A E E +D 12 0B 109 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.862 35.0 170.4-102.0 130.7 48.4 -13.2 -27.1 22 22 A A E -D 11 0B 2 -11,-4.1 -11,-4.3 -2,-0.4 2,-0.5 -0.985 30.0-119.9-148.0 156.3 46.2 -15.1 -24.7 23 23 A L E -Df 10 84B 19 60,-2.1 62,-2.4 -2,-0.3 2,-1.1 -0.724 21.4-130.6 -97.7 132.9 45.9 -16.0 -21.0 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.7 -2,-0.5 62,-0.2 -0.679 34.8-177.4 -79.0 104.4 45.8 -19.6 -19.8 25 25 A N > + 0 0 26 60,-2.5 3,-2.2 -2,-1.1 62,-0.3 -0.800 24.1 177.2-110.9 93.8 42.8 -19.5 -17.6 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.708 84.7 67.6 -67.8 -15.2 41.9 -22.7 -15.6 27 27 A G T 3 S+ 0 0 23 81,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.567 91.7 77.3 -73.6 -10.7 39.0 -20.7 -14.1 28 28 A A < - 0 0 20 -3,-2.2 59,-2.9 57,-0.2 60,-0.2 -0.844 60.4-163.5-108.2 134.3 37.4 -20.6 -17.6 29 29 A D S S+ 0 0 47 -2,-0.5 59,-1.7 57,-0.2 2,-0.2 0.923 75.5 39.3 -75.1 -40.3 35.5 -23.4 -19.2 30 30 A D S S- 0 0 59 57,-0.2 2,-0.5 56,-0.2 57,-0.1 -0.681 80.3-112.3-112.4 162.1 35.6 -22.1 -22.7 31 31 A T - 0 0 0 43,-0.4 45,-2.6 -2,-0.2 2,-0.4 -0.820 33.2-176.1 -94.3 126.4 38.0 -20.2 -25.1 32 32 A V E -gH 76 84B 15 52,-1.9 52,-3.1 -2,-0.5 2,-0.4 -0.981 3.6-177.0-128.3 130.6 37.0 -16.7 -25.9 33 33 A L E -g 77 0B 0 43,-2.4 45,-2.5 -2,-0.4 3,-0.2 -0.961 31.9 -93.7-132.9 150.4 38.8 -14.5 -28.4 34 34 A E S S- 0 0 78 -2,-0.4 -1,-0.1 43,-0.2 48,-0.0 -0.058 72.9 -60.9 -42.4 152.8 38.7 -11.0 -29.7 35 35 A E + 0 0 101 42,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.200 68.0 166.1 -46.1 131.6 36.8 -10.5 -33.0 36 36 A V - 0 0 5 -3,-0.2 2,-1.9 2,-0.1 -20,-0.1 -0.950 43.1-122.2-151.2 137.9 38.4 -12.6 -35.7 37 37 A N - 0 0 144 -2,-0.3 -2,-0.1 -21,-0.1 40,-0.0 -0.371 38.9-179.5 -86.2 59.4 36.9 -13.4 -39.1 38 38 A L - 0 0 10 -2,-1.9 2,-0.1 1,-0.1 -2,-0.1 -0.310 28.6-115.8 -55.4 139.5 37.0 -17.2 -38.7 39 39 A P + 0 0 114 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.438 63.9 13.8 -80.7 156.1 35.6 -18.8 -41.8 40 40 A G S S- 0 0 64 -2,-0.1 2,-0.0 19,-0.0 -2,-0.0 -0.301 96.3 -8.8 91.2-165.8 32.6 -20.9 -42.3 41 41 A R + 0 0 232 -2,-0.1 2,-0.3 19,-0.0 19,-0.3 -0.280 56.7 178.3 -73.9 156.7 29.5 -21.8 -40.2 42 42 A W - 0 0 131 17,-0.1 17,-0.2 -2,-0.0 15,-0.0 -0.924 20.9-131.2-150.2 166.8 29.0 -20.8 -36.6 43 43 A K E -I 58 0B 96 15,-1.6 15,-3.4 -2,-0.3 2,-0.2 -0.930 28.5-111.2-121.5 138.2 26.4 -21.1 -33.8 44 44 A P E -I 57 0B 83 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.560 39.7-175.2 -70.9 141.2 25.2 -18.3 -31.5 45 45 A K E -I 56 0B 66 11,-1.9 11,-2.8 -2,-0.2 2,-0.5 -0.997 19.9-142.2-134.6 142.6 26.3 -18.9 -27.9 46 46 A L E +I 55 0B 97 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.852 27.2 178.3 -99.9 135.8 25.5 -17.0 -24.7 47 47 A I E +I 54 0B 27 7,-2.8 7,-2.6 -2,-0.5 2,-0.5 -0.835 46.2 20.7-127.3 174.3 28.4 -16.6 -22.3 48 48 A G E -I 53 0B 73 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.652 57.3-172.0 76.4-122.1 29.0 -14.9 -18.9 49 49 A G E > +I 52 0B 23 3,-1.6 3,-2.0 -2,-0.5 2,-0.8 -0.146 41.1 116.4 127.2 -34.8 25.6 -14.4 -17.3 50 50 A I T 3 S- 0 0 154 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 -0.519 101.1 -1.6 -78.1 111.9 26.1 -12.3 -14.2 51 51 A G T 3 S- 0 0 93 -2,-0.8 -1,-0.3 -3,-0.1 2,-0.2 0.422 144.2 -35.8 90.7 -1.6 24.2 -9.1 -14.7 52 52 A G E < S-I 49 0B 43 -3,-2.0 -3,-1.6 2,-0.0 2,-0.2 -0.664 74.0 -84.6 134.4 165.8 23.3 -10.4 -18.1 53 53 A F E -I 48 0B 137 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.662 26.2-136.9-102.8 159.2 24.8 -12.6 -20.9 54 54 A V E -I 47 0B 50 -7,-2.6 -7,-2.8 -2,-0.2 2,-0.6 -0.956 19.2-130.8-112.9 139.8 27.0 -11.6 -23.9 55 55 A K E +I 46 0B 146 -2,-0.4 2,-0.2 -9,-0.2 -9,-0.2 -0.759 35.1 165.7 -90.9 124.2 26.4 -13.1 -27.3 56 56 A V E -I 45 0B 4 -11,-2.8 -11,-1.9 -2,-0.6 2,-0.5 -0.705 37.5-102.9-123.8 180.0 29.3 -14.6 -29.1 57 57 A R E -IJ 44 77B 54 20,-2.4 20,-2.9 -2,-0.2 2,-0.7 -0.951 26.6-146.2-109.1 129.0 29.9 -16.8 -32.1 58 58 A Q E -IJ 43 76B 36 -15,-3.4 -15,-1.6 -2,-0.5 2,-0.5 -0.831 16.1-175.5 -94.0 113.5 30.8 -20.5 -31.5 59 59 A Y E - J 0 75B 11 16,-2.5 16,-2.9 -2,-0.7 3,-0.3 -0.961 13.6-147.9-108.3 126.8 33.2 -22.0 -34.1 60 60 A D E + 0 0 66 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.578 66.1 8.3 -94.4 152.3 33.9 -25.7 -33.8 61 61 A Q E S+ 0 0 153 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.884 77.7 174.1 50.2 47.9 37.0 -27.8 -34.6 62 62 A V E - J 0 73B 14 11,-2.3 11,-2.0 -3,-0.3 2,-0.4 -0.657 32.7-123.1 -83.1 135.9 39.1 -24.8 -35.2 63 63 A P E + J 0 72B 89 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 -0.658 43.4 164.1 -76.6 127.7 42.8 -25.4 -35.8 64 64 A I E - J 0 71B 6 7,-3.6 7,-4.1 -2,-0.4 2,-0.4 -0.999 28.9-144.5-148.6 148.0 44.9 -23.6 -33.3 65 65 A E E -EJ 14 70B 76 -51,-1.9 -51,-2.1 -2,-0.3 2,-0.5 -0.926 12.3-171.4-111.3 133.9 48.5 -23.7 -32.1 66 66 A I E S-E 13 0B 0 3,-2.1 3,-0.4 -2,-0.4 -53,-0.2 -0.946 73.3 -28.0-130.0 110.7 49.5 -23.0 -28.5 67 67 A C S S- 0 0 54 -55,-1.7 -1,-0.1 -2,-0.5 -54,-0.1 0.920 132.4 -39.6 51.6 46.0 53.1 -22.7 -27.6 68 68 A G S S+ 0 0 59 1,-0.2 2,-0.6 0, 0.0 -1,-0.2 0.715 112.9 120.0 77.5 19.1 54.1 -25.0 -30.4 69 69 A H - 0 0 62 -3,-0.4 -3,-2.1 2,-0.0 2,-0.5 -0.932 53.1-149.9-119.7 110.3 51.1 -27.4 -30.0 70 70 A K E + J 0 65B 177 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.3 -0.612 33.0 165.0 -70.9 121.2 48.9 -27.7 -33.1 71 71 A V E - J 0 64B 17 -7,-4.1 -7,-3.6 -2,-0.5 2,-0.4 -0.882 32.8-132.3-139.5 172.2 45.4 -28.5 -31.7 72 72 A I E + J 0 63B 86 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.980 42.8 114.7-127.1 133.1 41.7 -28.6 -32.7 73 73 A G E - J 0 62B 11 -11,-2.0 -11,-2.3 -2,-0.4 2,-0.3 -0.998 59.1 -57.4-178.7 175.1 38.8 -27.2 -30.7 74 74 A T E - 0 0 42 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.4 -0.472 42.6-172.3 -74.4 132.5 35.9 -24.9 -30.1 75 75 A V E - J 0 59B 0 -16,-2.9 -16,-2.5 -2,-0.3 2,-0.4 -0.992 13.0-148.5-125.7 129.1 36.7 -21.2 -30.1 76 76 A L E -gJ 32 58B 3 -45,-2.6 -43,-2.4 -2,-0.4 2,-0.5 -0.822 14.5-155.8 -95.9 137.7 34.2 -18.5 -29.1 77 77 A V E +gJ 33 57B 0 -20,-2.9 -20,-2.4 -2,-0.4 -43,-0.2 -0.974 42.6 77.7-125.8 121.2 34.6 -15.2 -31.0 78 78 A G S S- 0 0 5 -45,-2.5 -22,-0.1 -2,-0.5 -2,-0.0 -0.960 78.4 -23.7 168.4-175.7 33.4 -11.9 -29.5 79 79 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 -46,-0.0 -0.116 58.9 153.9 -58.7 146.9 34.1 -9.1 -27.1 80 80 A T - 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