==== 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 10-AUG-06 2I0A . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.N.L.NALAM,C.A.SCHIFFER,A.ALI,K.K.REDDY,H.CAO,S.G.ANJUM,T.M . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9767.0 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 . 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 . 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 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 71 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 169.6 27.8 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 -0.954 360.0-162.0-101.5 125.4 24.1 22.5 34.6 3 3 A I E -A 197 0A 30 194,-3.4 194,-2.6 -2,-0.5 2,-0.1 -0.943 2.3-154.8-114.6 119.6 23.1 25.6 32.6 4 4 A T - 0 0 68 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.395 15.6-130.7 -84.0 171.2 19.6 27.1 32.9 5 5 A L S S+ 0 0 0 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.179 76.2 103.2-120.1 19.0 18.1 29.2 30.1 6 6 A W S S+ 0 0 186 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.737 95.5 34.5 -70.5 -19.7 16.8 32.5 31.7 7 7 A K S S- 0 0 65 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.886 110.5 -80.4-124.1 161.3 20.0 34.0 30.2 8 8 A R - 0 0 131 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.390 44.2-119.1 -57.5 132.5 21.8 33.3 27.0 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.416 52.1 164.5 -75.0 68.4 24.1 30.2 27.5 10 10 A L E +D 23 0B 81 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.699 8.8 175.0 -87.7 134.8 27.3 32.1 26.8 11 11 A V E -D 22 0B 14 11,-2.5 11,-2.8 -2,-0.4 2,-0.4 -0.952 33.7-104.5-136.4 158.0 30.6 30.5 27.8 12 12 A T E -D 21 0B 62 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.680 36.6-169.4 -81.0 135.0 34.2 31.2 27.4 13 13 A I E -DE 20 66B 1 7,-2.9 7,-2.2 -2,-0.4 2,-0.5 -0.879 15.2-143.0-119.4 153.9 36.1 29.2 24.8 14 14 A R E +DE 19 65B 144 51,-2.2 51,-2.3 -2,-0.3 2,-0.3 -0.991 29.1 161.6-116.8 122.8 39.8 28.9 24.1 15 15 A I E > -D 18 0B 1 3,-2.6 3,-1.9 -2,-0.5 49,-0.1 -0.975 69.6 -7.9-145.0 127.4 40.8 28.6 20.4 16 16 A G T 3 S- 0 0 60 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.830 128.6 -58.2 54.3 34.0 44.3 29.2 19.0 17 17 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.454 115.6 113.6 78.7 1.4 45.4 30.5 22.4 18 18 A Q E < -D 15 0B 120 -3,-1.9 -3,-2.6 0, 0.0 2,-0.4 -0.840 61.4-134.5-108.7 143.2 42.7 33.2 22.4 19 19 A L E +D 14 0B 130 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.834 31.2 167.3 -95.4 132.5 39.7 33.4 24.7 20 20 A K E -D 13 0B 55 -7,-2.2 -7,-2.9 -2,-0.4 2,-0.4 -0.894 34.6-118.7-134.1 162.1 36.3 34.2 23.2 21 21 A E E +D 12 0B 103 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.907 37.0 179.3-100.6 135.8 32.7 34.2 24.3 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.5 -0.969 27.3-117.8-138.3 155.5 30.4 31.8 22.4 23 23 A L E -Df 10 84B 10 60,-2.9 62,-3.1 -2,-0.3 2,-0.7 -0.793 21.1-131.4 -96.9 123.5 26.8 30.8 22.5 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.662 35.2-173.5 -72.2 114.0 25.9 27.1 23.2 25 25 A D > + 0 0 17 60,-2.6 3,-1.9 -2,-0.7 62,-0.3 -0.819 25.4 177.7-127.2 91.2 23.4 26.7 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.737 84.5 62.1 -67.6 -21.7 21.5 23.4 20.2 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.374 89.4 86.4 -82.2 2.6 19.6 24.7 17.1 28 28 A A < - 0 0 13 -3,-1.9 59,-3.0 57,-0.2 60,-0.2 -0.931 57.4-165.6-107.9 122.5 22.8 24.9 15.1 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.892 78.5 40.9 -60.7 -43.7 24.2 21.9 13.2 30 30 A D S S- 0 0 71 57,-0.2 2,-0.4 56,-0.2 57,-0.1 -0.826 82.7-116.4-117.7 148.3 27.6 23.5 12.9 31 31 A T - 0 0 0 43,-0.4 45,-2.1 -2,-0.3 2,-0.4 -0.686 35.8-176.1 -79.2 126.5 29.9 25.7 14.9 32 32 A V E -gH 76 84B 2 52,-1.7 52,-3.0 -2,-0.4 2,-0.3 -0.988 4.5-169.2-133.0 121.5 30.4 29.1 13.4 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.4 -2,-0.4 47,-0.2 -0.809 28.3-103.9-109.9 150.9 32.7 31.8 14.7 34 34 A E - 0 0 88 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.198 67.7 -53.7 -63.9 163.0 32.9 35.5 13.7 35 35 A E S S+ 0 0 117 43,-0.2 2,-0.3 45,-0.2 -1,-0.2 -0.068 80.6 139.0 -44.3 127.4 35.8 36.6 11.5 36 36 A M - 0 0 20 -3,-0.2 2,-0.5 2,-0.0 -3,-0.0 -0.958 52.4 -99.1-161.2 166.9 39.1 35.5 12.9 37 37 A N + 0 0 146 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.842 37.4 173.5 -97.2 131.5 42.5 34.1 11.8 38 38 A L - 0 0 19 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.986 28.9-116.5-131.1 145.7 43.1 30.4 12.1 39 39 A P + 0 0 105 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.388 66.5 28.2 -80.3 160.2 46.2 28.6 10.8 40 40 A G S S- 0 0 63 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.271 95.6 -22.1 95.6-175.1 46.3 25.8 8.2 41 41 A K - 0 0 96 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.372 56.5-177.9 -71.1 144.1 44.3 24.9 5.1 42 42 A W - 0 0 130 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.946 15.8-142.6-136.9 162.3 40.6 25.9 4.7 43 43 A K E -I 58 0B 44 15,-1.7 15,-3.0 -2,-0.3 2,-0.2 -0.982 24.5-114.5-123.4 137.7 37.9 25.3 2.2 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.491 45.3 167.9 -65.1 139.8 35.3 27.8 1.0 45 45 A K E -I 56 0B 26 11,-2.3 11,-2.9 -2,-0.2 2,-0.4 -0.955 28.5-137.5-146.9 161.4 31.8 26.7 2.0 46 46 A M E -I 55 0B 130 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.987 21.0-175.2-123.0 137.3 28.3 28.1 2.1 47 47 A I E -I 54 0B 23 7,-2.0 7,-2.6 -2,-0.4 2,-0.2 -0.943 16.4-128.1-129.6 156.0 25.8 27.6 4.9 48 48 A G E +I 53 0B 38 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.486 26.0 166.9 -96.6 166.1 22.2 28.6 5.6 49 49 A G E > -I 52 0B 28 3,-1.6 3,-0.6 -2,-0.2 102,-0.1 -0.865 55.3 -70.9-157.6-168.6 20.5 30.4 8.4 50 50 A I T 3 S+ 0 0 34 -2,-0.3 101,-0.2 1,-0.2 3,-0.1 0.836 129.2 37.5 -66.0 -31.1 17.2 32.0 9.3 51 51 A G T 3 S- 0 0 25 99,-2.1 2,-0.3 1,-0.2 100,-0.2 0.376 124.0 -75.1-105.1 2.7 17.8 34.9 7.0 52 52 A G E < -I 49 0B 27 -3,-0.6 -3,-1.6 98,-0.6 2,-0.3 -0.977 66.7 -40.9 138.1-154.5 19.5 33.3 4.0 53 53 A F E -I 48 0B 146 -2,-0.3 2,-0.3 98,-0.2 -5,-0.2 -0.858 43.0-168.7-117.8 149.6 22.9 32.0 3.1 54 54 A I E -I 47 0B 18 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.4 -0.907 24.7-114.1-130.1 161.9 26.5 33.1 3.8 55 55 A K E +I 46 0B 165 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.814 39.7 174.0 -92.7 134.4 30.0 32.3 2.7 56 56 A V E -I 45 0B 6 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.5 -0.880 32.3-119.0-132.9 166.6 32.3 30.8 5.3 57 57 A R E -IJ 44 77B 45 20,-2.4 20,-2.3 -2,-0.3 2,-0.6 -0.948 28.0-143.0-105.8 127.8 35.8 29.3 5.6 58 58 A Q E -IJ 43 76B 59 -15,-3.0 -15,-1.7 -2,-0.5 2,-0.5 -0.842 17.2-175.9 -98.6 116.8 35.9 25.7 6.8 59 59 A Y E - J 0 75B 9 16,-2.8 16,-2.8 -2,-0.6 3,-0.3 -0.952 14.8-150.5-108.0 125.6 38.7 24.7 9.1 60 60 A D E + 0 0 92 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.647 65.6 11.5 -98.1 151.6 38.8 21.0 10.0 61 61 A Q E S+ 0 0 163 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.880 77.9 163.4 57.0 48.3 40.2 19.3 13.1 62 62 A I E - J 0 73B 22 11,-2.8 11,-2.2 -3,-0.3 2,-0.3 -0.871 35.1-129.2 -99.1 123.3 40.6 22.4 15.2 63 63 A P E + J 0 72B 82 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 -0.540 31.2 172.9 -68.9 132.1 40.9 22.1 19.0 64 64 A I E - J 0 71B 4 7,-2.4 7,-2.4 -2,-0.3 2,-0.6 -0.987 25.0-146.3-137.2 134.2 38.6 24.3 21.1 65 65 A E E -EJ 14 70B 76 -51,-2.3 -51,-2.2 -2,-0.3 2,-0.7 -0.913 19.3-164.5 -98.9 119.4 38.2 24.2 24.9 66 66 A I E > -EJ 13 69B 0 3,-3.5 3,-1.9 -2,-0.6 -53,-0.2 -0.912 69.2 -29.7-113.9 107.2 34.6 24.9 25.6 67 67 A C T 3 S- 0 0 51 -55,-2.2 -1,-0.2 -2,-0.7 -54,-0.1 0.899 128.7 -45.5 51.9 43.0 33.9 25.8 29.2 68 68 A G T 3 S+ 0 0 51 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.409 117.8 112.7 85.0 -1.1 36.8 23.6 30.3 69 69 A H E < - 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