==== 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/HYDROLASE INHIBITOR 28-DEC-99 1C6Z . COMPND 2 MOLECULE: PROTEIN (PROTEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.MUNSHI . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 34.7 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 . 35 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 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 95 0, 0.0 198,-0.9 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 171.5 56.5 13.8 29.0 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.882 360.0-169.4-104.2 100.6 54.0 11.5 27.3 3 3 A I E -A 197 0A 50 194,-2.8 194,-2.5 -2,-0.8 2,-0.2 -0.753 7.1-149.3 -94.7 130.6 50.6 13.1 27.9 4 4 A T E -A 196 0A 47 -2,-0.4 3,-0.4 192,-0.2 192,-0.1 -0.600 14.9-130.8 -92.5 163.9 47.3 11.2 27.0 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 -2,-0.2 185,-0.1 0.333 81.7 96.4 -97.8 9.8 44.0 12.8 25.9 6 6 A W S S+ 0 0 161 185,-0.1 2,-0.2 184,-0.1 -1,-0.2 0.852 94.8 32.4 -65.9 -37.1 41.6 11.1 28.3 7 7 A Q S S- 0 0 115 -3,-0.4 0, 0.0 1,-0.0 0, 0.0 -0.601 111.9 -85.5-106.3 170.0 41.8 13.9 30.6 8 8 A R - 0 0 119 -2,-0.2 2,-1.1 1,-0.1 119,-0.1 -0.707 48.6-110.4 -69.0 132.7 42.2 17.5 29.5 9 9 A P - 0 0 4 0, 0.0 15,-2.4 0, 0.0 2,-0.7 -0.573 44.8-179.3 -71.4 95.9 46.0 18.2 29.0 10 10 A V E -D 23 0B 85 -2,-1.1 2,-0.4 13,-0.2 13,-0.2 -0.863 2.3-178.8-102.8 109.5 46.6 20.6 31.9 11 11 A V E -D 22 0B 20 11,-2.4 11,-1.4 -2,-0.7 2,-0.4 -0.884 24.4-129.1-110.2 135.0 50.2 21.9 32.2 12 12 A T E -D 21 0B 72 -2,-0.4 55,-0.9 9,-0.2 2,-0.3 -0.672 29.4-171.9 -83.4 128.8 51.5 24.3 35.0 13 13 A I E -D 20 0B 2 7,-2.5 7,-2.2 -2,-0.4 2,-0.5 -0.818 19.2-138.2-117.7 158.8 53.4 27.3 33.6 14 14 A K E +D 19 0B 73 -2,-0.3 51,-2.0 51,-0.3 2,-0.4 -0.980 31.4 161.0-121.5 114.6 55.4 30.0 35.3 15 15 A I E > +DE 18 64B 1 3,-2.1 3,-1.0 -2,-0.5 49,-0.1 -0.995 69.7 5.9-135.4 125.8 54.9 33.5 34.0 16 16 A G T 3 S- 0 0 47 47,-0.5 3,-0.1 -2,-0.4 48,-0.1 0.662 127.9 -66.1 76.4 17.9 55.7 36.7 35.9 17 17 A G T 3 S+ 0 0 58 1,-0.4 2,-0.3 0, 0.0 -1,-0.2 0.617 116.8 111.5 76.2 11.7 57.3 34.6 38.6 18 18 A Q E < -D 15 0B 117 -3,-1.0 -3,-2.1 2,-0.0 -1,-0.4 -0.840 65.3-132.7-116.0 149.1 53.8 33.3 39.3 19 19 A L E +D 14 0B 118 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.831 30.7 167.8-102.5 146.0 52.7 29.7 38.7 20 20 A M E -D 13 0B 31 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.3 -0.964 34.7-109.5-150.8 160.6 49.4 29.0 36.9 21 21 A E E +D 12 0B 132 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.737 39.4 179.6 -93.2 147.8 47.5 26.1 35.2 22 22 A A E -D 11 0B 4 -11,-1.4 -11,-2.4 -2,-0.3 2,-0.4 -0.970 26.5-118.2-145.9 163.2 47.2 26.0 31.4 23 23 A L E -Df 10 84B 22 60,-2.4 62,-2.4 -2,-0.3 2,-1.3 -0.882 20.0-132.6-107.5 129.8 45.8 23.9 28.6 24 24 A I E + f 0 85B 4 -15,-2.4 2,-0.7 -2,-0.4 62,-0.1 -0.653 37.4 178.2 -80.3 97.8 48.0 22.3 25.9 25 25 A D > - 0 0 2 60,-1.9 3,-0.8 -2,-1.3 62,-0.2 -0.842 24.1-176.5-113.6 106.8 45.9 23.3 22.9 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.2 98,-0.1 0.521 81.3 62.4 -74.8 -8.0 47.1 22.4 19.4 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.638 85.9 86.3 -89.7 -17.2 44.2 24.2 17.6 28 28 A A < - 0 0 20 -3,-0.8 59,-2.6 57,-0.2 60,-0.2 -0.752 58.1-163.7 -89.1 126.2 45.1 27.7 18.9 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.859 76.0 44.0 -75.4 -36.3 47.6 29.6 17.0 30 30 A D S S- 0 0 44 57,-0.1 2,-0.6 56,-0.1 57,-0.2 -0.564 84.6-115.5-107.2 170.3 48.1 32.0 19.7 31 31 A T - 0 0 1 43,-0.5 45,-2.9 -2,-0.2 2,-0.5 -0.945 33.8-169.9-107.3 117.2 48.7 31.7 23.4 32 32 A V E -g 76 0B 9 -2,-0.6 52,-3.5 52,-0.3 45,-0.2 -0.912 2.9-170.1-112.1 128.1 45.8 33.3 25.4 33 33 A L E -g 77 0B 2 43,-2.8 45,-1.7 -2,-0.5 3,-0.1 -0.621 31.4 -79.1-113.7 172.3 45.9 33.9 29.1 34 34 A E - 0 0 76 -2,-0.2 2,-0.2 43,-0.2 -1,-0.1 -0.198 65.7 -77.2 -60.7 157.7 43.5 35.0 31.9 35 35 A E S S+ 0 0 115 45,-0.3 2,-0.3 42,-0.2 -1,-0.2 -0.424 86.2 107.7 -62.9 119.4 42.7 38.7 32.4 36 36 A M - 0 0 42 -2,-0.2 2,-0.5 -3,-0.1 -3,-0.1 -0.939 65.1-104.4 179.8 169.0 45.7 40.2 34.1 37 37 A D - 0 0 119 -2,-0.3 3,-0.0 40,-0.0 -2,-0.0 -0.951 34.6-179.4-118.2 124.6 48.8 42.5 33.7 38 38 A L - 0 0 15 -2,-0.5 2,-0.2 2,-0.1 39,-0.0 -0.533 47.2 -54.5-110.0 178.3 52.2 41.0 33.4 39 39 A P S S+ 0 0 88 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.409 100.5 29.9 -59.9 120.9 55.7 42.6 33.0 40 40 A G S S- 0 0 57 -2,-0.2 2,-0.2 22,-0.0 -2,-0.1 -0.487 84.8 -66.7 122.3 170.1 55.7 44.9 30.0 41 41 A R - 0 0 228 -2,-0.2 19,-0.5 19,-0.1 2,-0.3 -0.556 44.4-147.6 -93.4 162.6 53.7 47.2 27.7 42 42 A W - 0 0 124 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.868 13.1-162.4-135.0 162.2 50.9 46.1 25.4 43 43 A K E -H 58 0B 110 15,-1.3 15,-2.8 -2,-0.3 2,-0.2 -0.733 38.8 -90.2-128.1 173.1 49.3 46.9 22.0 44 44 A P E +H 57 0B 86 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.609 40.3 167.8 -95.1 160.8 45.8 45.8 20.9 45 45 A K E -H 56 0B 77 11,-1.5 11,-2.7 -2,-0.2 2,-0.5 -0.960 22.4-147.9-160.6 144.9 44.7 42.7 19.0 46 46 A I E -H 55 0B 104 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.982 22.3-173.1-122.0 115.0 41.3 41.1 18.2 47 47 A I E -H 54 0B 16 7,-1.3 7,-2.4 -2,-0.5 2,-0.3 -0.662 14.5-128.4-103.9 166.0 41.4 37.4 18.0 48 48 A G E +H 53 0B 45 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.733 24.4 171.1-112.4 163.7 38.7 35.1 17.0 49 49 A G E > -H 52 0B 31 3,-2.3 3,-0.6 -2,-0.3 102,-0.1 -0.828 53.2 -81.5-151.9-175.0 37.2 32.0 18.5 50 50 A I T 3 S+ 0 0 20 1,-0.3 2,-0.8 -2,-0.3 101,-0.1 0.866 126.4 49.5 -66.6 -38.7 34.2 29.7 17.9 51 51 A G T 3 S- 0 0 11 99,-0.8 -1,-0.3 101,-0.3 102,-0.1 -0.476 124.7 -81.0 -99.8 59.4 31.9 32.1 19.7 52 52 A G E < -H 49 0B 36 -2,-0.8 -3,-2.3 -3,-0.6 2,-0.4 -0.319 67.9 -38.1 84.9-167.5 32.9 35.3 17.8 53 53 A F E -H 48 0B 166 -5,-0.2 2,-0.3 98,-0.2 -5,-0.2 -0.881 50.2-168.0-103.7 136.7 35.7 37.8 18.2 54 54 A V E -H 47 0B 20 -7,-2.4 -7,-1.3 -2,-0.4 2,-0.5 -0.763 20.3-119.1-119.6 161.8 37.1 38.9 21.5 55 55 A K E +H 46 0B 139 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.930 36.2 172.2-110.1 129.5 39.5 41.8 22.3 56 56 A V E -H 45 0B 6 -11,-2.7 -11,-1.5 -2,-0.5 2,-0.3 -0.868 32.8-115.7-132.3 163.9 42.8 41.2 23.9 57 57 A R E -HI 44 77B 44 20,-3.2 20,-2.3 -2,-0.3 2,-0.6 -0.762 28.8-138.6 -95.5 140.5 46.1 42.9 25.0 58 58 A Q E -HI 43 76B 36 -15,-2.8 -15,-1.3 -2,-0.3 2,-0.7 -0.911 14.8-170.8-107.0 119.0 49.2 41.7 23.2 59 59 A Y E - I 0 75B 5 16,-2.3 16,-2.3 -2,-0.6 3,-0.4 -0.962 20.0-150.7-107.0 109.5 52.3 41.4 25.3 60 60 A D E + 0 0 50 -2,-0.7 14,-0.2 -19,-0.5 -19,-0.1 -0.481 61.8 3.1 -82.1 155.5 55.2 40.8 23.0 61 61 A Q E S+ 0 0 142 -2,-0.1 13,-0.2 1,-0.1 -1,-0.2 0.774 80.0 166.4 38.0 58.9 58.4 38.8 23.6 62 62 A I E - I 0 73B 14 11,-2.7 11,-1.2 -3,-0.4 2,-0.6 -0.655 36.8-121.3-100.4 144.4 57.6 37.5 27.2 63 63 A P E + I 0 72B 88 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.821 34.0 174.0 -92.0 119.1 59.5 34.7 29.0 64 64 A I E -EI 15 71B 3 7,-2.1 7,-2.9 -2,-0.6 2,-0.9 -0.968 25.5-144.1-121.2 134.8 57.3 31.8 30.0 65 65 A E E > - I 0 70B 74 -51,-2.0 3,-1.1 -2,-0.4 2,-0.3 -0.633 22.5-166.6-101.0 78.7 58.8 28.5 31.5 66 66 A I E > S- I 0 69B 1 -2,-0.9 3,-2.9 3,-0.8 -53,-0.2 -0.473 70.1 -25.7 -72.6 123.4 56.7 25.8 30.0 67 67 A C T 3 S- 0 0 44 -55,-0.9 -1,-0.3 -2,-0.3 3,-0.1 0.725 128.3 -50.0 50.8 22.2 57.1 22.5 31.7 68 68 A G T < S+ 0 0 50 -3,-1.1 2,-0.6 1,-0.3 -1,-0.3 0.259 113.6 112.3 103.7 -15.1 60.6 23.6 32.7 69 69 A H E < - I 0 66B 72 -3,-2.9 -3,-0.8 24,-0.0 2,-0.6 -0.850 65.2-137.0 -92.7 118.9 61.8 24.7 29.3 70 70 A K E + I 0 65B 150 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.695 36.8 167.5 -78.2 122.0 62.3 28.5 29.4 71 71 A V E - 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