==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAY-07 2Q55 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER,M.N.L.NALAM . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9700.0 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 . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 35.4 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 . 24 12.1 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 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 70 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.6 27.8 22.4 34.6 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.926 360.0-162.3 -99.7 130.4 24.0 22.9 34.4 3 3 A I E -A 197 0A 31 194,-3.2 194,-2.4 -2,-0.5 2,-0.1 -0.965 3.2-152.4-121.3 122.1 23.0 26.0 32.5 4 4 A T - 0 0 69 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.356 14.3-131.8 -86.3 170.4 19.6 27.6 32.7 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.179 77.1 101.5-121.6 19.3 18.0 29.7 29.9 6 6 A W S S+ 0 0 187 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.757 96.1 35.4 -70.6 -22.2 16.7 32.9 31.4 7 7 A K S S- 0 0 65 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.853 110.4 -81.9-120.4 161.7 19.9 34.4 30.0 8 8 A R - 0 0 109 -2,-0.3 2,-2.6 1,-0.1 119,-0.1 -0.422 45.5-117.5 -57.0 133.6 21.8 33.6 26.7 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.396 54.2 164.1 -75.3 67.7 23.9 30.6 27.3 10 10 A L E +D 23 0B 82 -2,-2.6 2,-0.3 13,-0.2 13,-0.2 -0.738 9.1 174.9 -89.5 131.5 27.1 32.5 26.7 11 11 A V E -D 22 0B 12 11,-2.7 11,-2.8 -2,-0.4 2,-0.4 -0.935 34.5-102.7-133.7 158.6 30.4 30.9 27.8 12 12 A T E -D 21 0B 64 -2,-0.3 55,-1.8 9,-0.2 2,-0.3 -0.649 37.9-170.7 -79.1 132.2 34.1 31.6 27.6 13 13 A I E -DE 20 66B 1 7,-2.9 7,-2.1 -2,-0.4 2,-0.5 -0.904 15.6-141.1-118.2 153.6 36.0 29.5 25.0 14 14 A R E +DE 19 65B 143 51,-2.0 51,-2.1 -2,-0.3 2,-0.4 -0.975 28.6 162.7-114.5 123.3 39.7 29.2 24.4 15 15 A I E > S-D 18 0B 1 3,-2.5 3,-2.1 -2,-0.5 49,-0.1 -0.973 71.1 -11.6-143.6 122.9 40.9 29.0 20.8 16 16 A G T 3 S- 0 0 64 47,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.848 127.4 -58.0 56.6 35.8 44.5 29.6 19.6 17 17 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.487 114.8 118.3 74.3 3.4 45.3 31.0 23.0 18 18 A Q E < -D 15 0B 114 -3,-2.1 -3,-2.5 2,-0.0 2,-0.5 -0.810 58.8-137.6-104.4 143.2 42.6 33.7 22.7 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.871 30.2 166.9 -99.8 130.9 39.5 34.0 25.0 20 20 A K E -D 13 0B 51 -7,-2.1 -7,-2.9 -2,-0.5 2,-0.4 -0.930 35.4-118.4-136.3 158.2 36.2 34.7 23.3 21 21 A E E +D 12 0B 101 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.875 38.5 179.0 -97.5 134.7 32.5 34.6 24.4 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.5 -0.979 27.6-116.6-141.6 150.1 30.4 32.1 22.5 23 23 A L E -Df 10 84B 3 60,-2.8 62,-3.2 -2,-0.3 2,-0.8 -0.743 18.7-135.8 -91.2 124.3 26.8 30.9 22.5 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.2 -0.709 35.5-175.0 -78.6 109.7 26.0 27.3 23.3 25 25 A D > + 0 0 14 60,-2.5 3,-1.6 -2,-0.8 62,-0.3 -0.857 30.8 179.1-126.8 98.3 23.5 26.7 20.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.715 87.1 64.2 -69.5 -19.1 21.5 23.5 20.1 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.281 88.8 85.0 -85.1 10.1 19.8 25.1 17.1 28 28 A A < - 0 0 15 -3,-1.6 59,-3.1 57,-0.2 60,-0.2 -0.961 54.7-168.6-116.6 124.9 23.1 25.2 15.2 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.2 57,-0.2 2,-0.3 0.839 78.7 42.2 -67.9 -35.8 24.4 22.2 13.2 30 30 A D S S- 0 0 61 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.738 81.1-118.1-120.1 158.2 27.8 24.0 12.9 31 31 A T - 0 0 1 43,-0.4 45,-3.0 -2,-0.3 2,-0.4 -0.866 36.2-177.5 -97.1 124.9 30.2 26.0 14.9 32 32 A V E -gH 76 84B 7 52,-1.7 52,-2.9 -2,-0.5 2,-0.3 -0.987 4.6-169.1-133.5 120.0 30.6 29.5 13.4 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.4 -2,-0.4 47,-0.3 -0.797 28.7-102.3-110.8 151.2 32.9 32.2 14.8 34 34 A E - 0 0 88 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.243 68.0 -57.5 -61.1 157.3 33.2 35.9 13.9 35 35 A E S S+ 0 0 115 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.077 79.2 137.1 -43.4 126.6 36.0 37.0 11.7 36 36 A M - 0 0 27 -3,-0.2 2,-0.5 2,-0.0 -3,-0.0 -0.945 53.5 -94.6-159.8 171.3 39.4 36.0 13.0 37 37 A N + 0 0 155 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.853 39.5 171.7 -98.0 128.5 42.7 34.5 11.8 38 38 A L - 0 0 20 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.984 30.1-116.9-127.6 146.3 43.3 30.8 12.1 39 39 A P + 0 0 111 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.364 68.5 45.1 -75.2 162.8 46.2 28.8 10.7 40 40 A G S S- 0 0 62 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.237 94.3 -48.2 100.3 172.6 46.0 26.1 8.1 41 41 A K - 0 0 95 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.566 55.0-162.7 -77.0 142.4 44.2 25.7 4.8 42 42 A W - 0 0 118 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.857 11.9-133.4-122.2 162.0 40.5 26.5 4.8 43 43 A K E -I 58 0B 41 15,-1.8 15,-3.1 -2,-0.3 2,-0.2 -0.958 24.2-117.6-113.7 130.7 37.8 25.6 2.4 44 44 A P E +I 57 0B 106 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.516 44.3 171.1 -62.2 137.4 35.3 28.2 1.1 45 45 A K E -I 56 0B 77 11,-2.3 11,-3.1 -2,-0.2 2,-0.4 -0.961 26.4-141.5-146.5 153.7 31.7 27.3 2.2 46 46 A M E -I 55 0B 118 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.988 16.0-173.5-120.5 136.8 28.2 28.8 2.2 47 47 A I E -I 54 0B 21 7,-2.0 7,-2.8 -2,-0.4 2,-0.4 -0.983 5.9-158.2-127.6 146.6 25.7 28.4 4.9 48 48 A G E +I 53 0B 42 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.968 25.1 134.3-128.7 130.8 22.1 29.6 5.0 49 49 A G E > -I 52 0B 28 3,-2.6 3,-1.9 -2,-0.4 2,-0.2 -0.510 63.4 -15.8-139.3-145.1 19.7 30.3 7.8 50 50 A I T 3 S+ 0 0 22 1,-0.3 101,-2.1 -2,-0.2 102,-0.6 -0.502 133.2 20.5 -64.0 128.2 17.2 33.0 8.8 51 51 A G T 3 S- 0 0 28 -2,-0.2 -1,-0.3 100,-0.2 2,-0.3 0.336 123.3 -84.8 93.0 -7.9 17.8 36.0 6.7 52 52 A G E < -I 49 0B 26 -3,-1.9 -3,-2.6 100,-0.2 2,-0.3 -0.728 63.5 -26.7 118.3-159.5 19.7 34.1 4.0 53 53 A F E -I 48 0B 147 -5,-0.3 2,-0.3 -2,-0.3 -5,-0.3 -0.734 41.7-173.7-105.4 144.9 23.1 32.8 3.0 54 54 A I E -I 47 0B 20 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.4 -0.886 26.2-116.9-128.7 161.2 26.6 33.9 4.0 55 55 A K E +I 46 0B 162 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.862 38.0 175.8 -96.8 134.3 30.1 32.8 2.8 56 56 A V E -I 45 0B 6 -11,-3.1 -11,-2.3 -2,-0.4 2,-0.5 -0.856 30.8-119.8-131.5 167.9 32.4 31.3 5.5 57 57 A R E -IJ 44 77B 40 20,-2.6 20,-2.3 -2,-0.3 2,-0.6 -0.958 26.8-143.0-108.7 125.9 35.8 29.7 5.7 58 58 A Q E -IJ 43 76B 43 -15,-3.1 -15,-1.8 -2,-0.5 2,-0.4 -0.829 16.5-173.8 -95.9 119.2 35.9 26.1 7.0 59 59 A Y E - J 0 75B 9 16,-2.9 16,-2.9 -2,-0.6 3,-0.3 -0.929 13.2-147.7-107.7 131.7 38.8 25.1 9.2 60 60 A D E + 0 0 81 -19,-0.5 14,-0.2 -2,-0.4 13,-0.1 -0.693 67.2 11.2-102.2 153.5 39.1 21.5 10.2 61 61 A Q E S+ 0 0 139 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.898 77.3 163.0 53.4 48.6 40.4 19.8 13.4 62 62 A I E - J 0 73B 19 11,-2.8 11,-2.2 -3,-0.3 2,-0.3 -0.878 34.7-130.9 -97.2 124.0 40.6 23.1 15.4 63 63 A P E + J 0 72B 79 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.611 28.9 174.7 -73.2 131.3 40.9 22.7 19.1 64 64 A I E - J 0 71B 2 7,-2.1 7,-2.4 -2,-0.3 2,-0.7 -0.996 21.8-149.1-130.5 135.0 38.5 24.8 21.3 65 65 A E E -EJ 14 70B 69 -51,-2.1 -51,-2.0 -2,-0.4 2,-0.7 -0.931 17.5-163.1-102.1 114.9 38.2 24.4 25.1 66 66 A I E > -EJ 13 69B 0 3,-3.5 3,-2.2 -2,-0.7 -53,-0.2 -0.882 69.8 -28.5-107.6 108.4 34.6 25.2 26.0 67 67 A C T 3 S- 0 0 59 -55,-1.8 -1,-0.2 -2,-0.7 -54,-0.1 0.883 128.9 -46.0 56.7 37.8 34.1 26.0 29.6 68 68 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.355 117.4 114.8 86.3 -6.0 37.1 23.8 30.5 69 69 A H E < - 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