==== 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 2QI1 . 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) . 9582.0 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 . 71 35.9 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 . 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 4 1 0 0 2 1 3 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 73 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.3 27.8 22.0 34.7 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.969 360.0-161.6-105.7 127.2 24.0 22.4 34.4 3 3 A I E -A 197 0A 33 194,-3.3 194,-2.9 -2,-0.5 2,-0.1 -0.950 2.2-154.0-118.4 121.3 23.0 25.6 32.5 4 4 A T - 0 0 69 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.432 14.6-132.3 -86.7 169.3 19.5 27.1 32.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.193 77.5 100.6-120.3 15.1 18.0 29.3 30.0 6 6 A W S S+ 0 0 187 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.780 96.5 36.7 -66.7 -24.7 16.6 32.4 31.6 7 7 A K S S- 0 0 66 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.878 110.1 -83.2-119.5 159.2 19.9 34.0 30.3 8 8 A R - 0 0 112 -2,-0.3 2,-2.8 1,-0.1 119,-0.1 -0.395 43.0-119.7 -57.8 130.6 21.8 33.4 27.1 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.310 52.5 162.1 -74.1 64.5 24.0 30.3 27.5 10 10 A L E +D 23 0B 78 -2,-2.8 2,-0.3 13,-0.2 13,-0.2 -0.692 11.1 177.3 -86.4 133.8 27.2 32.2 26.8 11 11 A V E -D 22 0B 12 11,-3.0 11,-2.8 -2,-0.4 2,-0.4 -0.928 33.5-103.3-132.8 159.8 30.5 30.6 27.9 12 12 A T E -D 21 0B 63 -2,-0.3 55,-1.8 9,-0.2 2,-0.3 -0.682 38.7-170.1 -80.5 130.6 34.1 31.3 27.7 13 13 A I E -DE 20 66B 0 7,-3.2 7,-2.1 -2,-0.4 2,-0.5 -0.882 15.8-141.7-116.8 154.3 36.0 29.3 25.1 14 14 A R E +DE 19 65B 109 51,-2.1 51,-2.3 -2,-0.3 2,-0.4 -0.979 28.4 162.3-115.8 120.9 39.7 29.0 24.4 15 15 A I E > S-D 18 0B 1 3,-2.4 3,-2.1 -2,-0.5 49,-0.1 -0.985 71.7 -11.1-140.6 124.8 40.8 28.9 20.8 16 16 A G T 3 S- 0 0 71 47,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.843 126.9 -58.6 55.0 35.7 44.4 29.5 19.6 17 17 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.527 114.8 117.9 72.3 6.2 45.3 30.8 23.1 18 18 A Q E < -D 15 0B 125 -3,-2.1 -3,-2.4 2,-0.0 2,-0.5 -0.840 60.0-136.0-106.4 142.1 42.6 33.5 22.8 19 19 A L E +D 14 0B 121 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.848 31.1 166.9 -97.9 131.7 39.6 33.7 25.1 20 20 A K E -D 13 0B 50 -7,-2.1 -7,-3.2 -2,-0.5 2,-0.5 -0.930 35.1-119.9-136.9 157.6 36.2 34.4 23.5 21 21 A E E +D 12 0B 98 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.897 36.4 178.4 -98.4 132.7 32.6 34.3 24.6 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-3.0 -2,-0.5 2,-0.4 -0.974 27.1-120.9-136.2 151.1 30.4 31.9 22.6 23 23 A L E -Df 10 84B 2 60,-2.8 62,-2.9 -2,-0.3 2,-0.8 -0.758 21.7-128.4 -94.6 127.3 26.8 30.8 22.8 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.4 62,-0.1 -0.690 36.2-171.2 -73.8 109.4 25.9 27.1 23.3 25 25 A D > + 0 0 16 60,-2.6 3,-1.8 -2,-0.8 62,-0.3 -0.821 28.4 177.8-118.9 97.8 23.5 26.7 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.3 -1,-0.1 0.668 87.1 62.6 -68.1 -16.3 21.5 23.5 20.1 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.309 88.1 87.2 -88.9 7.1 19.8 25.0 17.0 28 28 A A < - 0 0 10 -3,-1.8 59,-3.1 57,-0.2 60,-0.2 -0.944 56.7-167.3-109.9 120.3 23.2 25.2 15.2 29 29 A D S S+ 0 0 56 -2,-0.5 59,-1.3 57,-0.2 2,-0.2 0.898 79.6 29.0 -63.7 -41.0 24.3 22.2 13.2 30 30 A D S S- 0 0 56 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.730 87.9-103.6-123.5 163.4 27.8 23.6 13.0 31 31 A T - 0 0 0 43,-0.5 45,-2.5 -2,-0.2 2,-0.4 -0.800 37.2-174.3 -94.1 126.1 30.1 25.9 15.0 32 32 A V E -gH 76 84B 3 52,-1.6 52,-2.8 -2,-0.5 2,-0.3 -0.987 2.9-171.6-129.1 121.6 30.4 29.5 13.6 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.4 -2,-0.4 47,-0.2 -0.850 28.4-106.4-112.1 149.2 32.7 32.2 14.9 34 34 A E - 0 0 90 -2,-0.3 -1,-0.1 43,-0.2 48,-0.0 -0.181 68.4 -50.8 -61.7 164.4 32.8 35.8 14.0 35 35 A E S S+ 0 0 122 45,-0.1 2,-0.3 43,-0.1 -1,-0.2 -0.068 81.1 137.3 -42.9 127.2 35.7 37.1 11.8 36 36 A M - 0 0 25 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.962 53.3 -99.3-163.4 165.3 39.1 36.0 13.2 37 37 A N + 0 0 147 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.835 38.2 174.6 -95.6 129.8 42.4 34.5 12.0 38 38 A L - 0 0 22 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.978 28.7-113.9-128.2 148.4 43.0 30.8 12.3 39 39 A P + 0 0 104 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.331 67.7 30.1 -78.2 161.3 46.0 28.9 11.0 40 40 A G S S- 0 0 62 19,-0.1 2,-0.1 -2,-0.1 -2,-0.1 -0.115 95.6 -31.9 92.1 177.5 46.0 26.3 8.2 41 41 A K - 0 0 97 19,-0.0 19,-0.5 -2,-0.0 2,-0.3 -0.434 56.4-173.6 -70.6 140.0 44.1 25.5 5.0 42 42 A W E -I 59 0B 126 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.893 13.4-140.2-129.5 163.8 40.5 26.5 4.8 43 43 A K E -I 58 0B 43 15,-1.6 15,-3.1 -2,-0.3 2,-0.1 -0.973 24.7-110.3-124.9 137.8 37.8 25.9 2.2 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.452 45.1 171.7 -61.4 140.5 35.0 28.2 1.1 45 45 A K E -I 56 0B 72 11,-2.1 11,-2.9 -2,-0.1 2,-0.4 -0.967 25.5-141.6-148.8 153.2 31.6 27.1 2.2 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 19.3-175.2-121.3 135.4 28.0 28.5 2.2 47 47 A I E -I 54 0B 21 7,-1.9 7,-2.4 -2,-0.4 2,-0.4 -0.953 14.9-136.3-130.3 149.9 25.6 28.1 5.1 48 48 A G E +I 53 0B 45 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.847 25.4 163.5-109.9 140.3 21.9 29.1 5.5 49 49 A G E > -I 52 0B 24 3,-2.8 3,-1.1 -2,-0.4 102,-0.1 -0.541 59.0 -62.5-130.9-158.3 20.2 30.6 8.5 50 50 A I T 3 S+ 0 0 30 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.809 132.0 40.2 -64.2 -32.1 16.9 32.4 9.2 51 51 A G T 3 S- 0 0 26 99,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.300 121.3 -87.7-103.4 7.8 17.7 35.3 6.9 52 52 A G E < -I 49 0B 28 -3,-1.1 -3,-2.8 98,-0.5 -1,-0.3 -0.872 65.6 -27.3 121.2-155.4 19.3 33.5 4.0 53 53 A F E -I 48 0B 145 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.724 44.6-174.0-110.1 147.6 22.8 32.3 3.0 54 54 A I E -I 47 0B 19 -7,-2.4 -7,-1.9 -2,-0.3 2,-0.4 -0.914 26.5-114.9-131.8 160.2 26.3 33.6 3.9 55 55 A K E +I 46 0B 164 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.817 38.2 175.2 -94.5 137.1 29.8 32.7 2.9 56 56 A V E -I 45 0B 5 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.886 31.7-118.8-132.9 164.2 32.1 31.3 5.5 57 57 A R E -IJ 44 77B 46 20,-2.5 20,-2.2 -2,-0.3 2,-0.7 -0.949 27.7-143.6-104.5 125.1 35.6 29.8 5.7 58 58 A Q E -IJ 43 76B 46 -15,-3.1 -15,-1.6 -2,-0.5 2,-0.5 -0.814 17.4-176.2 -96.1 113.9 35.8 26.2 6.9 59 59 A Y E -IJ 42 75B 9 16,-3.0 16,-3.0 -2,-0.7 3,-0.3 -0.938 13.8-150.2-106.0 128.4 38.7 25.2 9.1 60 60 A D E + 0 0 90 -19,-0.5 14,-0.2 -2,-0.5 13,-0.1 -0.612 66.1 13.8-100.0 157.5 39.0 21.5 10.1 61 61 A Q E S+ 0 0 162 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.892 76.5 162.8 46.7 53.7 40.4 19.8 13.2 62 62 A I E - J 0 73B 18 11,-2.8 11,-2.3 -3,-0.3 2,-0.3 -0.894 34.9-131.1 -98.6 125.2 40.6 23.0 15.3 63 63 A P E + J 0 72B 82 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.586 29.3 175.4 -72.7 133.4 40.9 22.5 19.1 64 64 A I E - J 0 71B 2 7,-2.4 7,-2.5 -2,-0.3 2,-0.7 -0.988 23.0-147.8-136.0 131.1 38.5 24.5 21.3 65 65 A E E -EJ 14 70B 71 -51,-2.3 -51,-2.1 -2,-0.4 2,-0.7 -0.888 17.6-163.6 -96.9 115.8 38.3 24.3 25.0 66 66 A I E > S-EJ 13 69B 0 3,-3.5 3,-2.0 -2,-0.7 -53,-0.2 -0.870 70.2 -31.8-107.4 104.7 34.6 24.9 25.9 67 67 A C T 3 S- 0 0 57 -55,-1.8 -1,-0.2 -2,-0.7 -54,-0.1 0.903 128.3 -44.1 54.3 42.4 34.1 25.7 29.6 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.406 117.9 113.4 84.2 -3.0 37.0 23.4 30.5 69 69 A H E < - J 0 66B 66 -3,-2.0 -3,-3.5 2,-0.0 2,-0.3 -0.901 63.7-129.1-106.3 130.5 36.0 20.6 28.1 70 70 A K E + J 0 65B 80 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.579 28.5 173.1 -85.2 130.4 38.2 19.8 25.1 71 71 A A E - J 0 64B 2 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.3 -0.925 13.1-167.5-124.1 153.5 36.8 19.6 21.5 72 72 A I E + J 0 63B 98 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.895 43.0 86.6-139.3 112.7 38.7 19.2 18.2 73 73 A G E - 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