==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-02 1IZH . COMPND 2 MOLECULE: PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WEBER,J.R.MESTERS,M.LEPSIK,J.PREJDOVA,M.SVEC,J.SPONAROVA, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10011.0 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 . 12 6.1 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 . 20 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 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 1 0 0 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 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 83 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.2 29.6 39.0 5.2 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.993 360.0-162.1-112.0 125.1 29.4 36.6 2.3 3 3 A I E -A 197 0A 36 194,-3.0 194,-2.5 -2,-0.5 2,-0.1 -0.929 4.8-147.2-116.0 122.8 28.6 33.1 3.4 4 4 A T - 0 0 62 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.295 11.5-135.0 -82.1 168.6 29.2 30.1 1.2 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.1 185,-0.1 0.214 73.8 106.6-117.7 19.4 27.1 27.1 1.1 6 6 A W S S+ 0 0 166 185,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.823 95.7 24.8 -62.6 -31.4 29.7 24.3 1.1 7 7 A Q S S- 0 0 136 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.839 112.3 -73.6-124.4 165.4 28.6 23.7 4.7 8 8 A R - 0 0 113 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.323 50.4-116.1 -56.0 136.5 25.3 24.5 6.5 9 9 A P + 0 0 3 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.478 49.7 169.2 -80.9 77.8 25.0 28.3 7.0 10 10 A L E +D 23 0B 87 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.689 4.4 172.0 -91.6 137.1 25.0 28.3 10.8 11 11 A V E -D 22 0B 12 11,-2.6 11,-2.6 -2,-0.3 2,-0.5 -0.921 35.2-100.9-139.5 165.6 25.4 31.5 12.7 12 12 A T E -D 21 0B 65 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.742 36.8-172.6 -90.8 129.0 25.2 32.8 16.3 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.0 -2,-0.5 2,-0.4 -0.818 15.0-143.0-114.4 161.9 22.1 34.6 17.3 14 14 A K E +DE 19 65B 84 51,-2.0 51,-2.0 -2,-0.3 2,-0.3 -0.999 31.3 155.6-123.9 125.6 21.3 36.4 20.5 15 15 A I E > -D 18 0B 2 3,-2.5 3,-2.2 -2,-0.4 49,-0.1 -0.961 62.3 -2.6-156.3 131.7 17.8 36.2 22.0 16 16 A G T 3 S- 0 0 55 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.826 126.5 -60.0 56.4 33.9 16.3 36.6 25.4 17 17 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.348 117.9 111.1 79.8 -5.9 19.7 37.1 26.8 18 18 A Q E < -D 15 0B 72 -3,-2.2 -3,-2.5 2,-0.0 2,-0.4 -0.639 61.7-137.3 -97.3 153.7 20.8 33.6 25.6 19 19 A L E +D 14 0B 120 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.933 30.9 168.9-108.1 140.1 23.3 32.8 22.7 20 20 A K E -D 13 0B 45 -7,-2.0 -7,-3.1 -2,-0.4 2,-0.4 -0.978 35.2-116.9-147.8 154.1 22.3 30.1 20.3 21 21 A E E +D 12 0B 105 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.800 39.3 174.6 -93.9 133.6 23.4 28.5 17.0 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.6 -2,-0.4 2,-0.4 -0.982 30.5-115.6-141.6 156.9 20.8 28.8 14.1 23 23 A L E -Df 10 84B 4 60,-3.0 62,-3.1 -2,-0.3 2,-0.8 -0.755 22.4-131.0 -96.7 124.8 20.6 28.0 10.5 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.4 62,-0.2 -0.722 37.7-173.3 -74.1 113.9 20.1 30.9 7.9 25 25 A D > + 0 0 14 60,-2.7 3,-1.8 -2,-0.8 62,-0.3 -0.807 30.4 178.3-129.9 96.5 17.2 29.3 6.0 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.647 86.5 61.7 -66.2 -18.3 15.8 30.9 2.8 27 27 A G T 3 S+ 0 0 21 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.353 89.4 86.8 -85.8 -2.0 13.4 28.0 2.5 28 28 A A < - 0 0 18 -3,-1.8 59,-3.2 57,-0.2 60,-0.2 -0.915 57.9-165.0-102.8 120.4 11.8 28.9 5.8 29 29 A D S S+ 0 0 53 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.863 77.7 33.6 -62.7 -37.0 9.0 31.4 5.9 30 30 A D S S- 0 0 51 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.710 82.0-109.7-121.7 167.3 9.4 31.8 9.7 31 31 A T - 0 0 0 43,-0.4 45,-2.5 -2,-0.2 2,-0.4 -0.855 36.2-175.6 -99.4 126.6 11.9 31.7 12.4 32 32 A V E -gH 76 84B 6 52,-1.8 52,-2.9 -2,-0.5 2,-0.3 -0.988 3.0-173.1-133.4 126.6 11.6 28.7 14.7 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.1 -2,-0.4 47,-0.2 -0.849 30.9-100.0-118.7 152.1 13.7 27.9 17.8 34 34 A E S S- 0 0 101 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.109 70.3 -56.1 -56.8 163.6 13.9 24.9 20.1 35 35 A E S S+ 0 0 113 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.103 79.2 137.2 -50.8 129.3 12.0 25.1 23.4 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.975 53.4 -93.8-164.1 162.4 12.8 28.1 25.4 37 37 A N + 0 0 133 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.736 39.4 172.9 -86.8 135.2 11.2 30.8 27.5 38 38 A L - 0 0 8 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.975 30.9-108.7-133.4 155.4 10.3 34.1 26.0 39 39 A P S S+ 0 0 92 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.427 70.5 27.4 -79.8 152.5 8.3 37.0 27.5 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.367 93.1 -37.0 103.2-174.0 4.8 38.1 26.6 41 41 A R - 0 0 226 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.378 53.7-174.4 -82.9 163.3 1.7 36.4 25.2 42 42 A W - 0 0 128 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.964 13.7-149.5-153.1 160.5 1.6 33.8 22.6 43 43 A K E -I 58 0B 116 15,-1.3 15,-2.8 -2,-0.3 2,-0.1 -0.969 30.6-102.1-133.3 150.1 -0.8 31.8 20.5 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.351 39.6 176.6 -72.1 158.3 -0.5 28.3 19.1 45 45 A K E -I 56 0B 75 11,-1.8 11,-2.7 -2,-0.1 2,-0.5 -0.987 25.2-135.0-158.9 144.7 0.4 27.5 15.5 46 46 A M E -I 55 0B 102 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.921 23.1-172.7-107.6 132.4 1.0 24.5 13.2 47 47 A I E -I 54 0B 18 7,-2.4 7,-2.8 -2,-0.5 2,-0.3 -0.959 4.5-161.1-125.2 144.9 4.0 24.7 10.9 48 48 A G E +I 53 0B 41 -2,-0.4 5,-0.2 5,-0.3 2,-0.2 -0.864 22.4 139.3-128.3 154.8 4.8 22.2 8.3 49 49 A G E > -I 52 0B 20 3,-2.1 3,-1.7 -2,-0.3 2,-0.2 -0.779 66.8 -19.0-160.9-155.9 7.8 21.1 6.2 50 50 A I T 3 S+ 0 0 22 1,-0.2 101,-1.8 -2,-0.2 102,-0.6 -0.500 133.5 27.0 -58.4 134.4 9.4 17.9 5.0 51 51 A G T 3 S- 0 0 30 128,-0.3 2,-0.3 100,-0.2 -1,-0.2 0.180 121.4 -90.0 96.4 -17.8 7.9 15.2 7.3 52 52 A G E < -I 49 0B 27 -3,-1.7 -3,-2.1 100,-0.2 99,-0.4 -0.868 66.2 -24.4 115.2-146.9 4.7 17.0 8.1 53 53 A F E -I 48 0B 146 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.721 37.6-167.8-116.5 150.8 3.7 19.4 10.8 54 54 A I E -I 47 0B 23 -7,-2.8 -7,-2.4 -2,-0.3 2,-0.4 -0.947 27.1-116.9-127.5 158.0 4.7 20.3 14.4 55 55 A K E +I 46 0B 142 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.779 39.0 173.0 -96.2 133.9 2.9 22.5 17.0 56 56 A V E -I 45 0B 3 -11,-2.7 -11,-1.8 -2,-0.4 2,-0.5 -0.888 32.5-116.3-132.7 164.4 4.7 25.7 18.1 57 57 A R E -IJ 44 77B 51 20,-3.0 20,-2.5 -2,-0.3 2,-0.6 -0.920 28.0-141.1-103.6 131.4 4.1 28.8 20.2 58 58 A Q E -IJ 43 76B 22 -15,-2.8 -15,-1.3 -2,-0.5 2,-0.5 -0.853 17.6-175.8 -99.5 118.8 4.1 32.1 18.4 59 59 A Y E - J 0 75B 11 16,-2.5 16,-3.2 -2,-0.6 3,-0.3 -0.926 14.2-150.3-111.1 127.7 5.7 35.1 20.2 60 60 A D E + 0 0 63 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.581 65.7 16.6 -98.9 156.8 5.4 38.5 18.4 61 61 A Q E S+ 0 0 168 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.911 76.8 165.6 53.1 52.7 7.7 41.5 18.4 62 62 A I E - J 0 73B 14 11,-2.8 11,-1.9 -3,-0.3 2,-0.3 -0.875 34.8-127.9-102.1 131.4 10.8 39.7 19.9 63 63 A L E + J 0 72B 134 -2,-0.5 -47,-0.5 9,-0.2 2,-0.3 -0.601 35.9 169.9 -77.8 136.9 14.2 41.4 19.7 64 64 A I E - J 0 71B 4 7,-2.6 7,-2.5 -2,-0.3 2,-0.4 -0.979 25.3-147.2-144.4 152.8 16.9 39.3 18.1 65 65 A E E -EJ 14 70B 56 -51,-2.0 -51,-2.0 -2,-0.3 2,-0.5 -0.995 9.7-170.1-124.3 128.4 20.5 39.8 17.0 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.3 -2,-0.4 -53,-0.2 -0.966 76.4 -27.3-123.1 110.1 21.9 37.8 14.0 67 67 A C T 3 S- 0 0 58 -55,-1.7 -1,-0.2 -2,-0.5 -54,-0.1 0.879 128.2 -46.4 51.0 42.3 25.7 38.2 13.6 68 68 A G T 3 S+ 0 0 56 1,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.323 113.4 121.6 88.3 -14.3 25.6 41.6 15.1 69 69 A H E < - 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