==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-JAN-00 1EBW . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.UNGE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 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 . 24 12.1 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 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 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 89 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 177.4 30.1 39.3 5.0 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.975 360.0-160.5-118.4 119.5 29.9 36.8 2.2 3 3 A I E -A 197 0A 34 194,-3.1 194,-2.5 -2,-0.5 2,-0.1 -0.882 4.4-150.6-106.1 123.0 29.0 33.3 3.2 4 4 A T - 0 0 62 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.406 12.8-135.2 -82.1 166.3 29.8 30.3 1.0 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.141 73.3 108.7-112.5 21.2 27.6 27.3 1.0 6 6 A W S S+ 0 0 168 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.825 94.7 24.5 -62.8 -30.6 30.2 24.5 1.1 7 7 A Q S S- 0 0 134 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.828 112.4 -72.6-126.6 166.6 29.0 24.0 4.7 8 8 A R - 0 0 130 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.368 51.1-115.5 -60.0 135.4 25.8 24.8 6.4 9 9 A P + 0 0 3 0, 0.0 15,-2.5 0, 0.0 2,-0.3 -0.476 50.6 169.1 -76.6 76.4 25.5 28.6 6.9 10 10 A L E +D 23 0B 69 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.716 5.1 172.9 -92.7 139.1 25.5 28.6 10.7 11 11 A V E -D 22 0B 17 11,-2.7 11,-2.7 -2,-0.3 2,-0.4 -0.924 34.5-100.6-140.0 164.6 26.0 31.9 12.6 12 12 A T E -D 21 0B 88 -2,-0.3 55,-1.8 9,-0.2 2,-0.3 -0.713 37.9-173.8 -89.4 134.7 25.8 33.1 16.2 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.6 -2,-0.4 2,-0.5 -0.930 16.1-144.9-127.3 153.9 22.7 34.9 17.3 14 14 A K E +DE 19 65B 52 51,-2.1 51,-2.3 -2,-0.3 2,-0.3 -0.982 27.5 160.6-120.4 124.1 21.8 36.6 20.6 15 15 A I E > -D 18 0B 1 3,-2.5 3,-1.1 -2,-0.5 49,-0.1 -0.964 66.6 -4.5-147.8 126.8 18.3 36.4 21.9 16 16 A G T 3 S- 0 0 52 47,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.866 129.0 -56.1 61.2 37.0 17.0 37.0 25.4 17 17 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.665 116.7 114.0 70.3 16.4 20.5 37.6 26.7 18 18 A Q E < -D 15 0B 89 -3,-1.1 -3,-2.5 2,-0.0 2,-0.4 -0.940 61.3-135.0-123.9 143.9 21.5 34.2 25.4 19 19 A L E +D 14 0B 132 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.800 32.9 165.5 -96.3 135.4 24.0 33.1 22.7 20 20 A K E -D 13 0B 47 -7,-2.6 -7,-3.1 -2,-0.4 2,-0.4 -0.951 35.4-117.3-144.7 162.1 22.9 30.4 20.3 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.865 37.9 177.0-102.8 135.3 23.9 28.9 16.9 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.4 -0.974 28.4-118.6-140.8 156.6 21.4 29.2 14.0 23 23 A L E -Df 10 84B 11 60,-2.7 62,-2.9 -2,-0.3 2,-0.9 -0.790 21.3-132.2 -96.4 129.5 21.0 28.4 10.4 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.730 35.2-171.8 -79.5 109.3 20.5 31.2 7.8 25 25 A D > + 0 0 16 60,-2.6 3,-1.5 -2,-0.9 62,-0.3 -0.848 27.5 178.0-116.6 100.6 17.6 29.6 5.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.638 85.9 61.9 -71.0 -13.2 16.3 31.2 2.6 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.448 88.0 87.4 -91.1 -0.6 13.9 28.3 2.3 28 28 A A < - 0 0 17 -3,-1.5 59,-2.8 57,-0.2 60,-0.2 -0.879 54.7-166.7-105.6 125.4 12.1 29.2 5.6 29 29 A D S S+ 0 0 54 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.888 79.1 39.3 -69.5 -39.5 9.2 31.7 5.7 30 30 A D S S- 0 0 54 57,-0.1 2,-0.5 56,-0.1 57,-0.2 -0.631 79.5-119.8-111.5 168.0 9.5 31.8 9.4 31 31 A T - 0 0 1 43,-0.4 45,-2.5 -2,-0.2 2,-0.4 -0.905 33.3-178.2-105.4 128.2 12.1 31.9 12.2 32 32 A V E -gH 76 84B 6 52,-1.5 52,-3.2 -2,-0.5 2,-0.3 -0.993 5.3-169.8-135.2 131.6 11.9 29.0 14.6 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.3 -0.825 33.2 -93.0-117.5 156.7 14.0 28.3 17.7 34 34 A E S S- 0 0 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.213 70.6 -62.6 -60.9 157.4 14.4 25.3 20.0 35 35 A E S S+ 0 0 118 43,-0.5 2,-0.3 45,-0.2 -1,-0.2 -0.139 79.2 140.4 -47.1 124.7 12.2 25.4 23.1 36 36 A M - 0 0 19 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.961 51.9 -92.2-159.2 168.8 13.1 28.3 25.3 37 37 A S + 0 0 104 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.770 40.3 172.6 -96.5 135.1 11.5 31.0 27.5 38 38 A L - 0 0 13 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.968 30.8-110.4-136.1 150.8 10.5 34.3 26.1 39 39 A P S S+ 0 0 104 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.392 72.5 36.7 -80.2 160.5 8.6 37.2 27.6 40 40 A G S S- 0 0 65 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.263 94.1 -47.7 95.3 177.1 5.1 38.3 26.5 41 41 A R - 0 0 94 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.616 53.2-157.1 -88.3 148.2 2.0 36.5 25.3 42 42 A W - 0 0 123 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.857 7.2-144.4-125.3 161.5 2.1 33.8 22.7 43 43 A K E -I 58 0B 128 15,-1.5 15,-3.0 -2,-0.3 2,-0.1 -0.964 27.0-111.6-125.1 139.2 -0.3 32.3 20.1 44 44 A P E +I 57 0B 51 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.388 41.4 174.1 -68.5 149.3 -0.4 28.7 19.0 45 45 A K E -I 56 0B 69 11,-1.9 11,-3.0 -2,-0.1 2,-0.5 -0.988 26.9-140.9-156.5 148.6 0.6 28.0 15.4 46 46 A M E -I 55 0B 116 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.958 21.5-175.1-113.1 126.1 1.2 25.0 13.1 47 47 A I E -I 54 0B 20 7,-2.3 7,-2.4 -2,-0.5 2,-0.4 -0.966 8.4-152.4-123.1 140.9 4.1 25.2 10.7 48 48 A G E +I 53 0B 46 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.863 24.9 144.7-116.9 148.7 4.9 22.6 8.0 49 49 A G E > -I 52 0B 20 3,-2.6 3,-1.1 -2,-0.4 2,-0.5 -0.557 64.5 -26.3-146.5-148.9 8.2 21.6 6.3 50 50 A I T 3 S+ 0 0 34 1,-0.2 101,-1.3 -2,-0.2 102,-0.6 -0.666 132.7 25.3 -76.1 122.7 9.7 18.4 5.0 51 51 A G T 3 S- 0 0 35 -2,-0.5 2,-0.3 128,-0.3 -1,-0.2 0.104 122.4 -79.8 112.6 -22.6 8.1 15.7 7.1 52 52 A G E < -I 49 0B 28 -3,-1.1 -3,-2.6 100,-0.1 99,-0.3 -0.927 67.7 -32.7 130.8-154.7 4.9 17.4 8.0 53 53 A F E -I 48 0B 142 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.751 39.8-165.0-110.8 155.2 3.8 19.9 10.6 54 54 A I E -I 47 0B 23 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.5 -0.955 25.0-116.8-133.6 152.5 4.8 20.8 14.1 55 55 A K E +I 46 0B 132 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.791 40.1 171.9 -92.9 127.6 3.1 22.9 16.8 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-1.9 -2,-0.5 2,-0.5 -0.815 33.0-115.6-129.4 169.7 5.0 26.0 17.9 57 57 A R E -IJ 44 77B 55 20,-2.8 20,-2.3 -2,-0.3 2,-0.5 -0.937 28.7-141.0-109.8 128.7 4.4 29.0 20.1 58 58 A Q E -IJ 43 76B 42 -15,-3.0 -15,-1.5 -2,-0.5 2,-0.4 -0.798 18.0-176.8 -97.0 123.6 4.4 32.4 18.3 59 59 A Y E - J 0 75B 7 16,-2.4 16,-2.7 -2,-0.5 3,-0.3 -0.963 14.6-148.6-116.6 132.5 6.0 35.5 20.0 60 60 A D E + 0 0 83 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.616 67.3 17.1-101.9 161.3 5.8 38.8 18.3 61 61 A Q E S+ 0 0 173 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.891 77.7 166.3 48.7 51.8 8.1 41.8 18.2 62 62 A I E - J 0 73B 18 11,-2.7 11,-1.7 -3,-0.3 2,-0.4 -0.794 31.8-132.7 -97.5 136.9 11.1 39.9 19.5 63 63 A L E + J 0 72B 81 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.759 29.5 173.9 -91.6 132.1 14.6 41.5 19.3 64 64 A I E - J 0 71B 0 7,-2.7 7,-2.4 -2,-0.4 2,-0.6 -0.988 24.2-143.7-137.2 146.4 17.4 39.3 17.9 65 65 A E E -EJ 14 70B 63 -51,-2.3 -51,-2.1 -2,-0.3 2,-0.6 -0.953 16.0-170.3-113.1 118.5 21.0 40.1 17.1 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-2.4 -2,-0.6 -53,-0.2 -0.933 73.6 -27.8-113.5 112.3 22.4 38.2 14.0 67 67 A C T 3 S- 0 0 53 -55,-1.8 -1,-0.2 -2,-0.6 -54,-0.1 0.842 128.5 -47.4 53.4 35.4 26.1 38.5 13.4 68 68 A G T 3 S+ 0 0 48 1,-0.3 2,-0.4 -56,-0.2 -1,-0.3 0.177 115.4 117.7 94.3 -18.8 26.0 41.8 15.2 69 69 A H E < - 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