==== 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 1EBZ . 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) . 9821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 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 . 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 . 25 12.6 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 3 2 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 90 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 174.2 30.0 39.3 4.9 2 2 A Q E -A 198 0A 133 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.977 360.0-159.0-116.4 123.9 29.8 36.7 2.0 3 3 A I E -A 197 0A 33 194,-3.5 194,-2.5 -2,-0.5 2,-0.1 -0.910 2.7-152.6-110.2 121.5 28.8 33.2 3.0 4 4 A T - 0 0 64 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.473 13.6-135.5 -83.2 161.9 29.6 30.3 0.8 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.094 72.6 109.3-110.6 24.5 27.4 27.2 0.9 6 6 A W S S+ 0 0 166 184,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.858 94.2 25.8 -63.7 -33.6 30.0 24.3 1.0 7 7 A Q S S- 0 0 131 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.773 111.7 -74.2-122.1 168.3 28.9 23.9 4.6 8 8 A R - 0 0 119 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.409 50.0-116.3 -62.5 136.1 25.6 24.8 6.3 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.494 49.9 168.5 -79.3 78.3 25.3 28.6 6.8 10 10 A L E +D 23 0B 70 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.710 6.7 175.3 -93.0 139.1 25.3 28.6 10.7 11 11 A V E -D 22 0B 16 11,-2.9 11,-2.8 -2,-0.3 2,-0.4 -0.930 33.6-105.5-138.3 161.9 25.8 31.9 12.6 12 12 A T E -D 21 0B 88 -2,-0.3 55,-1.2 9,-0.2 2,-0.3 -0.765 37.4-171.2 -91.5 131.6 25.7 32.9 16.2 13 13 A I E -DE 20 66B 1 7,-3.5 7,-2.8 -2,-0.4 2,-0.5 -0.866 16.3-142.9-120.4 157.8 22.6 34.8 17.3 14 14 A K E +DE 19 65B 79 51,-2.2 51,-2.4 -2,-0.3 2,-0.4 -0.981 28.6 163.1-122.7 117.5 21.8 36.6 20.5 15 15 A I E > -DE 18 64B 1 3,-3.0 3,-1.8 -2,-0.5 49,-0.1 -0.979 65.6 -11.2-140.9 126.2 18.3 36.4 21.8 16 16 A G T 3 S- 0 0 62 47,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.888 128.5 -52.3 56.1 42.7 16.9 37.1 25.2 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.475 117.9 114.5 74.9 0.3 20.4 37.4 26.7 18 18 A Q E < -D 15 0B 89 -3,-1.8 -3,-3.0 2,-0.0 2,-0.5 -0.847 59.0-142.8-109.2 142.0 21.2 34.0 25.3 19 19 A L E +D 14 0B 129 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.874 31.2 168.2-100.3 129.6 23.8 33.1 22.6 20 20 A K E -D 13 0B 29 -7,-2.8 -7,-3.5 -2,-0.5 2,-0.4 -0.956 35.4-116.9-141.2 159.3 22.7 30.4 20.2 21 21 A E E +D 12 0B 116 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.795 39.3 175.0 -96.0 136.8 23.7 28.8 16.9 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.9 -2,-0.4 2,-0.4 -0.988 29.2-118.8-144.9 154.4 21.3 29.2 14.0 23 23 A L E -Df 10 84B 6 60,-2.7 62,-3.0 -2,-0.3 2,-1.0 -0.771 20.7-132.3 -95.7 130.0 21.0 28.4 10.3 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.4 62,-0.1 -0.729 36.0-173.6 -79.4 107.6 20.4 31.2 7.7 25 25 A D > + 0 0 15 60,-2.5 3,-1.7 -2,-1.0 62,-0.3 -0.839 26.9 179.7-116.2 99.9 17.6 29.5 5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.689 85.6 63.3 -68.1 -16.5 16.2 31.1 2.7 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.478 87.9 86.7 -85.8 -1.7 13.8 28.3 2.3 28 28 A A < - 0 0 16 -3,-1.7 59,-3.1 57,-0.2 60,-0.2 -0.882 56.5-165.7-104.6 122.8 12.0 29.2 5.6 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.907 78.6 33.7 -67.7 -41.4 9.2 31.8 5.6 30 30 A D S S- 0 0 53 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.662 82.7-111.7-114.9 168.6 9.5 32.1 9.4 31 31 A T - 0 0 0 43,-0.5 45,-3.0 -2,-0.2 2,-0.4 -0.861 35.4-177.3 -99.9 126.3 12.1 32.0 12.2 32 32 A V E -gH 76 84B 6 52,-1.4 52,-3.0 -2,-0.5 2,-0.3 -0.988 3.0-173.0-132.0 128.8 11.8 29.0 14.5 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.5 -2,-0.4 47,-0.2 -0.822 31.9 -94.3-118.4 157.7 13.9 28.2 17.5 34 34 A E - 0 0 83 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.222 69.6 -59.7 -63.8 157.2 14.1 25.3 19.9 35 35 A E S S+ 0 0 116 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.066 78.8 137.7 -41.8 127.9 12.1 25.3 23.1 36 36 A M - 0 0 19 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.964 52.8 -91.6-164.6 168.8 13.0 28.3 25.3 37 37 A S + 0 0 106 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.793 39.8 172.1 -98.2 134.0 11.4 30.9 27.5 38 38 A L - 0 0 12 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.975 30.8-111.1-135.8 148.5 10.4 34.3 26.1 39 39 A P S S+ 0 0 105 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.376 71.4 34.8 -78.7 158.4 8.5 37.2 27.7 40 40 A G S S- 0 0 63 -2,-0.1 2,-0.1 19,-0.1 -2,-0.1 -0.233 94.1 -45.9 94.6 175.6 5.0 38.3 26.6 41 41 A R - 0 0 95 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.465 53.7-166.7 -81.5 156.2 1.9 36.6 25.4 42 42 A W - 0 0 121 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.964 9.6-143.4-142.0 156.8 2.0 34.0 22.6 43 43 A K E -I 58 0B 110 15,-1.5 15,-2.8 -2,-0.3 13,-0.0 -0.945 26.6-105.4-125.3 146.6 -0.4 32.3 20.3 44 44 A P E +I 57 0B 84 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.334 42.2 170.4 -66.8 148.7 -0.5 28.7 19.0 45 45 A K E -I 56 0B 68 11,-1.8 11,-2.8 2,-0.0 2,-0.5 -0.983 27.1-139.9-156.9 152.7 0.4 28.0 15.4 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.974 20.6-172.8-117.6 128.8 1.1 25.0 13.1 47 47 A I E -I 54 0B 23 7,-2.2 7,-2.2 -2,-0.5 2,-0.4 -0.961 9.0-148.3-123.4 143.5 4.0 25.3 10.6 48 48 A G E +I 53 0B 48 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.869 26.5 145.1-115.2 146.5 4.8 22.7 7.9 49 49 A G E > -I 52 0B 22 3,-2.4 3,-1.1 -2,-0.4 2,-0.4 -0.587 62.6 -30.1-145.4-152.1 8.1 21.7 6.4 50 50 A I T 3 S+ 0 0 26 1,-0.2 101,-1.6 -2,-0.2 102,-0.6 -0.625 131.6 22.9 -73.8 128.4 9.6 18.5 5.0 51 51 A G T 3 S- 0 0 32 -2,-0.4 2,-0.3 128,-0.3 -1,-0.2 0.155 123.4 -75.1 103.5 -21.5 8.1 15.7 7.0 52 52 A G E < -I 49 0B 29 -3,-1.1 -3,-2.4 100,-0.2 99,-0.3 -0.894 66.9 -35.4 132.5-161.7 4.9 17.4 8.1 53 53 A F E -I 48 0B 142 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.700 39.2-166.0-105.6 155.4 3.7 19.9 10.6 54 54 A I E -I 47 0B 20 -7,-2.2 -7,-2.2 -2,-0.3 2,-0.5 -0.964 24.7-117.3-135.3 151.8 4.7 20.8 14.1 55 55 A K E +I 46 0B 143 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.779 39.7 172.5 -92.2 130.9 3.0 22.9 16.8 56 56 A V E -I 45 0B 3 -11,-2.8 -11,-1.8 -2,-0.5 2,-0.5 -0.858 32.8-116.6-132.4 166.9 4.9 26.0 17.9 57 57 A R E -IJ 44 77B 50 20,-2.8 20,-2.4 -2,-0.3 2,-0.5 -0.926 28.9-140.4-107.6 128.9 4.3 29.1 20.0 58 58 A Q E -IJ 43 76B 27 -15,-2.8 -15,-1.5 -2,-0.5 2,-0.4 -0.799 18.3-176.3 -96.5 123.8 4.3 32.4 18.2 59 59 A Y E - J 0 75B 7 16,-2.6 16,-2.8 -2,-0.5 3,-0.3 -0.959 12.1-153.2-116.1 133.0 5.9 35.5 19.9 60 60 A D E + 0 0 74 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.0 -0.617 67.3 22.7-103.4 164.6 5.8 38.9 18.1 61 61 A Q E S+ 0 0 158 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.842 77.3 163.5 53.2 41.5 8.1 41.9 18.3 62 62 A I E - J 0 73B 18 11,-2.6 11,-1.8 -3,-0.3 2,-0.5 -0.754 33.0-135.5 -93.4 135.6 11.1 39.9 19.5 63 63 A L E + J 0 72B 92 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.772 26.6 178.4 -91.6 127.9 14.5 41.5 19.2 64 64 A I E -EJ 15 71B 0 7,-3.3 7,-2.5 -2,-0.5 2,-0.6 -0.982 21.5-144.7-130.2 142.9 17.3 39.3 17.8 65 65 A E E -EJ 14 70B 67 -51,-2.4 -51,-2.2 -2,-0.4 2,-0.5 -0.932 17.5-175.0-108.6 120.7 20.9 40.1 17.1 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.0 -2,-0.6 -53,-0.2 -0.930 71.8 -28.5-121.1 107.6 22.4 38.3 14.1 67 67 A C T 3 S- 0 0 56 -55,-1.2 -1,-0.1 -2,-0.5 3,-0.1 0.913 127.4 -47.0 54.7 44.6 26.1 38.8 13.4 68 68 A G T 3 S+ 0 0 50 1,-0.2 2,-0.5 -54,-0.0 -1,-0.3 0.197 115.3 118.8 85.3 -18.0 26.0 42.2 15.1 69 69 A H E < - 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