==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-DEC-99 1C6X . COMPND 2 MOLECULE: PROTEIN (PROTEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.MUNSHI . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.1 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 . 5 2.5 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 . 37 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 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 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 2 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 PARALLEL BRIDGES PER LADDER . 1 1 4 0 0 3 1 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 1 1 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 94 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 176.8 56.6 13.6 28.8 2 2 A Q E -A 198 0A 136 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.976 360.0-166.9-111.4 118.0 53.9 11.7 27.0 3 3 A I E -A 197 0A 35 194,-2.9 194,-2.4 -2,-0.5 2,-0.2 -0.933 6.5-149.8-112.2 131.4 50.5 13.1 27.7 4 4 A T E -A 196 0A 46 -2,-0.5 3,-0.4 192,-0.2 192,-0.2 -0.667 14.2-133.1 -94.3 158.2 47.2 11.3 26.9 5 5 A L S S+ 0 0 1 190,-0.7 186,-0.2 -2,-0.2 185,-0.1 0.054 79.9 98.6 -99.3 22.6 44.0 13.1 25.9 6 6 A W S S+ 0 0 159 185,-0.1 -1,-0.2 184,-0.1 2,-0.1 0.930 96.0 29.9 -71.3 -44.5 41.5 11.2 28.2 7 7 A Q S S- 0 0 122 -3,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.379 116.1 -77.1 -98.8 179.4 41.7 14.0 30.6 8 8 A R - 0 0 129 -2,-0.1 2,-1.9 1,-0.1 -1,-0.1 -0.682 47.0-117.7 -79.9 132.9 42.4 17.7 29.5 9 9 A P + 0 0 0 0, 0.0 15,-3.4 0, 0.0 2,-0.4 -0.511 50.9 165.1 -75.5 86.3 46.1 18.2 28.7 10 10 A V E +D 23 0B 63 -2,-1.9 13,-0.2 13,-0.2 2,-0.2 -0.886 9.6 176.2-107.4 131.1 46.9 20.8 31.4 11 11 A V E -D 22 0B 15 11,-1.5 11,-2.5 -2,-0.4 2,-0.4 -0.725 32.5-100.4-124.3 174.2 50.5 21.7 32.4 12 12 A T E -D 21 0B 68 -2,-0.2 55,-1.8 9,-0.2 2,-0.4 -0.842 34.5-174.1-101.2 132.0 52.1 24.2 34.7 13 13 A I E -DE 20 66B 4 7,-2.8 7,-2.5 -2,-0.4 2,-0.6 -0.957 16.3-147.9-123.6 141.7 53.6 27.4 33.3 14 14 A K E +DE 19 65B 97 51,-0.7 51,-2.2 -2,-0.4 2,-0.4 -0.970 29.3 162.8-109.5 118.1 55.6 30.1 35.2 15 15 A I E > +DE 18 64B 1 3,-2.2 3,-0.8 -2,-0.6 49,-0.1 -0.973 65.0 4.6-139.9 121.7 55.0 33.5 33.8 16 16 A G T 3 S- 0 0 43 47,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.809 128.0 -61.8 77.2 28.7 55.8 36.7 35.5 17 17 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.362 119.4 93.6 79.6 -5.9 57.4 35.0 38.5 18 18 A Q E < -D 15 0B 90 -3,-0.8 -3,-2.2 2,-0.0 2,-0.3 -0.942 69.4-130.2-123.8 140.2 54.2 33.2 39.5 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.704 31.1 163.4 -91.4 143.8 53.1 29.7 38.4 20 20 A M E -D 13 0B 29 -7,-2.5 -7,-2.8 -2,-0.3 2,-0.3 -0.972 37.1 -99.2-152.0 160.1 49.6 28.8 37.0 21 21 A E E +D 12 0B 141 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.646 40.1 174.8 -87.9 141.1 47.8 26.0 35.2 22 22 A A E -D 11 0B 1 -11,-2.5 -11,-1.5 -2,-0.3 2,-0.4 -0.866 27.1-115.2-137.3 171.1 47.3 26.2 31.4 23 23 A L E -Df 10 84B 8 60,-2.3 62,-2.7 -2,-0.3 2,-0.8 -0.936 21.1-127.6-115.6 133.2 45.9 24.0 28.7 24 24 A I E - f 0 85B 2 -15,-3.4 2,-0.6 -2,-0.4 62,-0.1 -0.647 33.6-176.1 -78.5 112.3 47.9 22.6 25.8 25 25 A D > - 0 0 17 60,-2.3 3,-0.7 -2,-0.8 62,-0.2 -0.865 22.5-178.2-120.0 107.7 45.9 23.6 22.7 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.2 1,-0.2 -1,-0.1 0.535 85.9 58.0 -76.5 -8.5 47.0 22.5 19.3 27 27 A G T 3 S+ 0 0 11 81,-0.1 2,-0.6 96,-0.1 -1,-0.2 0.699 86.3 87.0 -91.3 -23.5 44.1 24.4 17.7 28 28 A A < - 0 0 18 -3,-0.7 59,-2.7 57,-0.2 60,-0.2 -0.688 58.6-163.9 -81.3 118.3 45.1 27.8 19.1 29 29 A D S S+ 0 0 48 -2,-0.6 59,-1.3 57,-0.2 2,-0.2 0.864 77.2 38.6 -68.5 -30.9 47.6 29.6 16.8 30 30 A D S S- 0 0 62 57,-0.2 2,-0.6 56,-0.1 57,-0.2 -0.697 86.5-110.6-118.3 169.7 48.4 31.9 19.7 31 31 A T E -g 75 0B 2 43,-0.6 45,-2.5 -2,-0.2 2,-0.4 -0.878 35.4-173.6-104.0 118.6 48.7 31.7 23.4 32 32 A V E -gH 76 84B 7 52,-1.0 52,-2.8 -2,-0.6 2,-0.3 -0.953 0.5-169.7-118.1 133.1 45.9 33.5 25.3 33 33 A L E -g 77 0B 1 43,-2.7 45,-2.6 -2,-0.4 3,-0.1 -0.831 31.3 -91.8-121.5 158.9 45.8 34.0 29.1 34 34 A E E -g 78 0B 86 -2,-0.3 49,-0.0 43,-0.2 -1,-0.0 -0.399 67.3 -70.5 -67.5 141.0 43.2 35.2 31.6 35 35 A E S S+ 0 0 133 43,-1.0 2,-0.3 45,-0.1 -1,-0.2 0.092 80.7 117.0 -38.7 125.6 43.1 38.9 32.3 36 36 A M - 0 0 56 -3,-0.1 2,-0.5 2,-0.0 -3,-0.1 -0.906 61.6-100.8-176.4 166.5 46.1 40.2 34.3 37 37 A D - 0 0 128 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.941 31.4-157.4-110.9 127.3 48.9 42.6 33.7 38 38 A L - 0 0 7 -2,-0.5 2,-1.6 2,-0.0 4,-0.1 -0.709 37.4 -91.4 -98.4 154.5 52.4 41.2 32.8 39 39 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -23,-0.1 -0.494 99.6 55.0 -68.2 90.1 55.6 43.1 33.3 40 40 A G S S- 0 0 45 -2,-1.6 2,-0.4 22,-0.1 21,-0.1 -0.968 89.7 -77.3 173.0-168.3 55.8 44.7 29.9 41 41 A R - 0 0 233 -2,-0.3 19,-0.6 19,-0.2 2,-0.2 -0.976 39.7-151.8-124.3 136.0 53.8 46.9 27.5 42 42 A W E -I 59 0B 122 -2,-0.4 17,-0.2 17,-0.2 15,-0.1 -0.635 8.1-157.2-107.8 162.4 50.9 45.8 25.4 43 43 A K E -I 58 0B 103 15,-1.9 15,-3.3 -2,-0.2 2,-0.1 -0.888 37.6 -90.9-128.4 155.9 49.3 46.8 22.1 44 44 A P E +I 57 0B 103 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.375 44.7 170.9 -72.2 153.2 45.7 46.1 21.1 45 45 A K E -I 56 0B 67 11,-1.6 11,-3.4 -2,-0.1 2,-0.5 -0.972 23.6-149.9-159.9 142.7 44.6 42.9 19.2 46 46 A I E +I 55 0B 93 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.954 22.1 179.0-122.1 110.0 41.3 41.2 18.1 47 47 A I E -I 54 0B 20 7,-1.5 7,-3.0 -2,-0.5 2,-0.4 -0.747 20.3-129.2-105.8 159.5 41.3 37.4 17.9 48 48 A G E -I 53 0B 50 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.902 20.8-178.5-117.3 134.5 38.5 35.1 17.0 49 49 A G - 0 0 23 3,-3.5 102,-0.1 -2,-0.4 100,-0.0 -0.376 51.9 -85.7-106.4-165.2 37.3 32.1 18.8 50 50 A I S S+ 0 0 38 1,-0.2 101,-0.1 -2,-0.2 103,-0.1 0.902 129.1 51.2 -73.3 -36.4 34.5 29.7 17.8 51 51 A G S S- 0 0 24 99,-0.7 2,-0.3 101,-0.3 102,-0.3 0.774 124.3 -84.9 -71.3 -26.5 31.9 32.0 19.5 52 52 A G - 0 0 27 98,-0.8 -3,-3.5 100,-0.2 -1,-0.2 -0.978 64.5 -28.1 152.6-164.2 33.1 35.1 17.8 53 53 A F E -I 48 0B 169 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.562 51.3-173.1 -85.6 150.9 35.7 37.9 18.0 54 54 A V E -I 47 0B 19 -7,-3.0 -7,-1.5 -2,-0.2 2,-0.5 -0.960 22.4-118.8-143.0 155.4 37.3 39.1 21.2 55 55 A K E +I 46 0B 161 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.872 36.1 171.8-101.2 126.5 39.6 42.0 22.3 56 56 A V E -I 45 0B 9 -11,-3.4 -11,-1.6 -2,-0.5 2,-0.7 -0.840 35.6-115.6-129.7 167.0 42.9 41.2 23.9 57 57 A R E -IJ 44 77B 63 20,-2.6 20,-1.3 -2,-0.3 2,-0.6 -0.906 30.7-145.3-103.2 112.6 46.2 42.9 25.0 58 58 A Q E -IJ 43 76B 29 -15,-3.3 -15,-1.9 -2,-0.7 2,-0.5 -0.732 14.8-170.7 -85.2 118.5 49.1 41.7 23.0 59 59 A Y E -IJ 42 75B 4 16,-2.8 16,-2.2 -2,-0.6 3,-0.4 -0.947 11.9-150.3-109.0 120.7 52.4 41.5 25.0 60 60 A D E + 0 0 54 -19,-0.6 -19,-0.2 -2,-0.5 14,-0.1 -0.478 65.1 8.7 -89.8 161.0 55.5 40.8 23.0 61 61 A Q E S+ 0 0 153 1,-0.2 -1,-0.2 -2,-0.1 13,-0.2 0.784 76.8 163.7 40.3 50.7 58.7 38.9 24.0 62 62 A I E - J 0 73B 11 11,-2.4 11,-2.0 -3,-0.4 2,-0.5 -0.774 34.8-128.0 -98.2 135.0 57.5 37.6 27.4 63 63 A P E + J 0 72B 70 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.769 30.7 177.6 -85.0 124.7 59.6 34.7 29.0 64 64 A I E -EJ 15 71B 3 7,-1.5 7,-2.7 -2,-0.5 2,-0.5 -0.913 24.9-146.0-126.1 151.8 57.6 31.6 30.1 65 65 A E E -E 14 0B 65 -51,-2.2 2,-1.2 -2,-0.3 -51,-0.7 -0.753 12.1-166.2-120.1 82.7 58.7 28.4 31.7 66 66 A I E > S-E 13 0B 2 -2,-0.5 3,-1.2 3,-0.4 -53,-0.2 -0.574 74.0 -45.0 -70.8 98.1 56.5 25.6 30.4 67 67 A C T 3 S- 0 0 56 -55,-1.8 2,-0.8 -2,-1.2 -1,-0.2 0.899 124.9 -27.7 35.8 73.5 57.4 22.8 32.9 68 68 A G T 3 S+ 0 0 55 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.395 114.8 100.6 97.4 -57.6 61.2 23.2 33.0 69 69 A H < - 0 0 74 -3,-1.2 2,-0.5 -2,-0.8 -3,-0.4 -0.357 63.3-143.2 -64.9 141.9 61.9 24.6 29.5 70 70 A K + 0 0 132 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.915 30.4 166.6-108.1 129.2 62.5 28.3 29.2 71 71 A V E - J 0 64B 13 -7,-2.7 -7,-1.5 -2,-0.5 2,-0.4 -0.849 26.3-138.3-136.2 174.5 61.0 29.9 26.2 72 72 A I E + J 0 63B 92 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.999 38.6 110.7-140.2 136.4 60.2 33.3 24.7 73 73 A G E - 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