==== 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 03-JUL-07 2QHY . 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) . 9652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 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 . 72 36.4 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 . 23 11.6 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 2 3 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 72 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 166.5 27.9 22.2 34.7 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.942 360.0-160.6 -98.9 129.0 24.2 22.5 34.6 3 3 A I E -A 197 0A 31 194,-3.3 194,-2.6 -2,-0.5 2,-0.1 -0.955 2.6-153.5-120.0 118.9 23.3 25.7 32.7 4 4 A T - 0 0 77 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.357 15.2-131.1 -83.5 173.0 19.9 27.3 33.0 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.153 75.4 104.3-122.7 18.0 18.4 29.5 30.2 6 6 A W S S+ 0 0 186 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.768 94.6 33.2 -65.5 -28.0 17.2 32.7 31.9 7 7 A K S S- 0 0 66 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.869 110.2 -80.3-121.4 160.0 20.3 34.3 30.4 8 8 A R - 0 0 122 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.390 46.5-118.2 -55.9 130.6 22.1 33.6 27.1 9 9 A P + 0 0 5 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.427 51.4 166.6 -75.7 73.4 24.3 30.5 27.6 10 10 A L E +D 23 0B 65 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.705 7.6 174.8 -89.5 136.1 27.6 32.3 26.9 11 11 A V E -D 22 0B 15 11,-2.7 11,-2.9 -2,-0.4 2,-0.4 -0.920 33.4-105.5-135.1 162.0 30.9 30.7 27.8 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.745 37.0-170.1 -86.8 136.8 34.5 31.4 27.4 13 13 A I E -DE 20 66B 1 7,-3.2 7,-2.3 -2,-0.4 2,-0.5 -0.877 16.2-143.4-121.2 159.7 36.4 29.4 24.8 14 14 A R E +DE 19 65B 142 51,-1.8 51,-2.2 -2,-0.3 2,-0.3 -0.991 30.3 159.9-123.8 120.1 40.1 29.1 23.9 15 15 A I E > -DE 18 64B 2 3,-2.4 3,-2.8 -2,-0.5 49,-0.1 -0.997 67.3 -2.6-147.0 136.3 41.0 28.8 20.2 16 16 A G T 3 S- 0 0 55 47,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.795 130.3 -60.8 51.0 29.5 44.2 29.4 18.4 17 17 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.360 115.1 112.1 81.9 -3.2 45.5 30.4 21.8 18 18 A Q E < -D 15 0B 129 -3,-2.8 -3,-2.4 0, 0.0 2,-0.4 -0.832 63.4-128.3-110.1 141.7 43.0 33.3 22.2 19 19 A L E +D 14 0B 131 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.683 34.6 166.1 -85.8 135.7 40.1 33.6 24.6 20 20 A K E -D 13 0B 58 -7,-2.3 -7,-3.2 -2,-0.4 2,-0.4 -0.946 35.4-117.0-141.4 161.5 36.7 34.5 23.2 21 21 A E E +D 12 0B 118 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.869 37.9 178.7 -99.8 134.6 33.0 34.5 24.4 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.7 -2,-0.4 2,-0.5 -0.988 27.0-120.6-142.2 151.7 30.7 32.2 22.6 23 23 A L E -Df 10 84B 4 60,-3.1 62,-3.1 -2,-0.3 2,-0.6 -0.738 21.6-130.8 -94.2 124.9 27.0 31.1 22.7 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.680 34.3-173.5 -74.1 116.1 26.1 27.5 23.3 25 25 A D > + 0 0 17 60,-2.6 3,-1.8 -2,-0.6 62,-0.3 -0.836 26.0 178.1-129.9 91.9 23.6 27.0 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.693 84.9 63.9 -66.4 -19.2 21.6 23.7 20.2 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.318 88.5 86.4 -85.9 6.1 19.8 25.2 17.1 28 28 A A < - 0 0 11 -3,-1.8 59,-3.3 57,-0.2 60,-0.2 -0.947 58.5-163.6-109.7 125.9 23.1 25.3 15.2 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.4 57,-0.2 2,-0.3 0.876 79.3 33.8 -61.5 -40.6 24.3 22.3 13.2 30 30 A D S S- 0 0 62 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.751 85.2-107.0-123.0 160.9 27.8 23.9 13.0 31 31 A T - 0 0 0 43,-0.5 45,-2.7 -2,-0.3 2,-0.5 -0.773 37.6-173.2 -89.1 125.9 30.2 26.0 15.0 32 32 A V E -gH 76 84B 3 52,-1.6 52,-3.1 -2,-0.5 2,-0.4 -0.982 3.3-170.3-129.1 122.1 30.4 29.6 13.5 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.4 -2,-0.5 47,-0.2 -0.866 28.5-106.0-111.6 143.9 32.8 32.2 14.7 34 34 A E - 0 0 88 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.160 67.8 -54.6 -55.5 160.4 33.0 35.9 13.8 35 35 A E S S+ 0 0 122 43,-0.2 2,-0.3 45,-0.2 -1,-0.2 -0.105 81.8 137.7 -45.4 125.2 35.8 37.0 11.5 36 36 A M - 0 0 22 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.957 53.6 -97.0-161.6 164.6 39.1 36.0 12.9 37 37 A N + 0 0 148 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.802 38.4 175.9 -91.4 133.0 42.5 34.5 11.8 38 38 A L - 0 0 17 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.993 29.0-110.7-132.5 145.5 43.0 30.8 12.1 39 39 A P + 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.354 68.4 15.2 -74.8 153.9 46.0 28.7 11.0 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.315 95.3 -16.3 95.9-167.7 46.2 26.2 8.2 41 41 A K + 0 0 91 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.386 54.5 177.9 -76.8 148.5 44.1 25.2 5.2 42 42 A W - 0 0 128 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.960 15.9-145.4-142.9 162.6 40.4 26.2 4.7 43 43 A K E -I 58 0B 46 15,-1.5 15,-2.9 -2,-0.3 2,-0.2 -0.972 28.0-106.5-127.8 143.2 37.7 25.6 2.1 44 44 A P E +I 57 0B 112 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.483 48.1 163.9 -66.9 139.5 34.9 27.9 1.0 45 45 A K E -I 56 0B 25 11,-2.2 11,-2.9 -2,-0.2 2,-0.4 -0.922 27.7-135.6-146.7 167.0 31.5 26.9 2.2 46 46 A M E -I 55 0B 126 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.973 17.0-175.0-128.0 145.6 28.0 28.3 2.6 47 47 A I E -I 54 0B 19 7,-1.9 7,-2.6 -2,-0.4 2,-0.3 -0.979 15.8-133.1-137.1 154.3 25.5 28.0 5.5 48 48 A G E +I 53 0B 46 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.805 24.3 166.8-110.9 148.5 22.0 29.1 6.1 49 49 A G E > -I 52 0B 25 3,-2.7 3,-0.9 -2,-0.3 102,-0.1 -0.612 57.3 -65.9-136.7-162.0 20.3 30.8 8.9 50 50 A I T 3 S+ 0 0 29 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.793 131.1 41.2 -67.2 -27.9 17.1 32.6 9.7 51 51 A G T 3 S- 0 0 24 99,-2.3 2,-0.3 1,-0.3 100,-0.3 0.412 122.2 -85.2-102.5 -0.1 17.8 35.4 7.2 52 52 A G E < -I 49 0B 27 -3,-0.9 -3,-2.7 98,-0.7 -1,-0.3 -0.919 65.5 -31.8 129.5-156.7 19.3 33.5 4.3 53 53 A F E -I 48 0B 150 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.751 44.0-170.7-108.2 149.9 22.7 32.2 3.4 54 54 A I E -I 47 0B 21 -7,-2.6 -7,-1.9 -2,-0.3 2,-0.4 -0.901 25.6-114.5-128.1 160.5 26.3 33.4 4.0 55 55 A K E +I 46 0B 165 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.802 38.9 176.7 -90.3 137.3 29.7 32.5 2.8 56 56 A V E -I 45 0B 6 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.882 32.5-117.8-134.5 163.3 32.1 31.1 5.4 57 57 A R E -IJ 44 77B 48 20,-2.4 20,-2.2 -2,-0.3 2,-0.7 -0.946 30.0-144.1-101.1 124.7 35.6 29.6 5.6 58 58 A Q E -IJ 43 76B 62 -15,-2.9 -15,-1.5 -2,-0.5 2,-0.5 -0.819 16.2-174.2 -95.2 114.3 35.7 26.0 6.8 59 59 A Y E - J 0 75B 7 16,-3.0 16,-2.9 -2,-0.7 3,-0.3 -0.940 13.7-153.9-104.5 122.8 38.6 25.0 9.1 60 60 A D E + 0 0 86 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.632 65.5 14.2 -96.6 154.7 38.6 21.3 9.9 61 61 A Q E S+ 0 0 164 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.880 78.9 164.0 55.2 49.3 40.1 19.5 12.9 62 62 A I E - J 0 73B 22 11,-2.6 11,-1.9 -3,-0.3 2,-0.2 -0.868 35.5-129.5-101.5 119.4 40.6 22.6 15.0 63 63 A P E + J 0 72B 81 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.499 33.1 170.8 -64.1 128.6 41.2 22.3 18.8 64 64 A I E -EJ 15 71B 4 7,-2.9 7,-2.0 -2,-0.2 2,-0.6 -0.985 26.3-146.5-137.5 134.2 38.9 24.4 20.9 65 65 A E E -EJ 14 70B 85 -51,-2.2 -51,-1.8 -2,-0.3 2,-0.7 -0.897 18.8-166.7 -98.3 117.3 38.4 24.4 24.7 66 66 A I E > -EJ 13 69B 0 3,-3.1 3,-1.7 -2,-0.6 -53,-0.2 -0.902 69.7 -28.7-111.5 108.1 34.8 25.2 25.6 67 67 A C T 3 S- 0 0 51 -55,-2.2 -1,-0.2 -2,-0.7 -54,-0.1 0.911 128.5 -45.7 53.1 43.5 34.1 26.0 29.2 68 68 A G T 3 S+ 0 0 56 -56,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.471 117.0 112.8 81.1 2.6 37.1 23.7 30.2 69 69 A H E < - J 0 66B 68 -3,-1.7 -3,-3.1 2,-0.0 2,-0.3 -0.922 64.0-126.8-111.2 133.6 36.1 20.8 27.9 70 70 A K E + J 0 65B 85 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.577 31.3 168.9 -83.6 134.3 38.3 19.9 25.0 71 71 A A E - 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