==== 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 04-OCT-99 1D4H . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR T.UNGE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10092.0 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 . 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 . 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 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 97 0, 0.0 198,-1.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 170.8 30.0 39.1 4.8 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.970 360.0-158.5-115.7 121.4 29.7 36.6 2.0 3 3 A I E -A 197 0A 33 194,-3.4 194,-2.5 -2,-0.5 2,-0.1 -0.886 3.3-150.9-107.1 121.1 28.7 33.1 3.0 4 4 A T - 0 0 61 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.443 13.0-135.6 -82.0 162.5 29.4 30.2 0.8 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.099 73.3 108.9-109.6 23.1 27.2 27.1 0.9 6 6 A W S S+ 0 0 171 184,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.836 94.0 22.7 -63.7 -32.8 29.8 24.4 1.0 7 7 A Q S S- 0 0 132 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.821 112.5 -71.6-126.3 166.8 28.7 23.8 4.6 8 8 A R - 0 0 117 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.362 50.8-117.5 -59.5 135.4 25.5 24.7 6.4 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.521 49.0 170.3 -79.8 79.7 25.3 28.5 6.8 10 10 A L E +D 23 0B 79 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.742 4.9 174.0 -93.8 136.6 25.3 28.5 10.6 11 11 A V E -D 22 0B 19 11,-3.0 11,-3.1 -2,-0.4 2,-0.4 -0.906 33.4-104.5-136.9 164.6 25.7 31.7 12.5 12 12 A T E -D 21 0B 82 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.750 36.8-173.2 -92.4 136.1 25.6 32.9 16.1 13 13 A I E -DE 20 66B 0 7,-2.9 7,-2.3 -2,-0.4 2,-0.5 -0.884 16.1-143.0-125.6 159.0 22.5 34.8 17.2 14 14 A K E +DE 19 65B 87 51,-1.9 51,-2.3 -2,-0.3 2,-0.4 -0.990 27.7 161.0-125.6 121.4 21.6 36.6 20.5 15 15 A I E > -D 18 0B 2 3,-2.4 3,-1.3 -2,-0.5 49,-0.1 -0.965 68.8 -6.5-144.7 124.4 18.1 36.4 21.8 16 16 A G T 3 S- 0 0 61 47,-0.5 3,-0.1 -2,-0.4 48,-0.1 0.826 128.8 -56.3 63.2 32.0 16.9 37.1 25.3 17 17 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.575 115.1 117.5 77.0 9.3 20.5 37.5 26.5 18 18 A Q E < -D 15 0B 92 -3,-1.3 -3,-2.4 2,-0.0 2,-0.4 -0.893 58.4-139.5-114.5 140.9 21.3 34.0 25.2 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.807 31.9 165.1 -96.2 135.8 23.8 33.0 22.5 20 20 A K E -D 13 0B 36 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.4 -0.958 36.8-114.4-146.1 161.7 22.7 30.3 20.1 21 21 A E E +D 12 0B 133 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.852 38.4 178.2 -99.7 134.2 23.6 28.8 16.8 22 22 A A E -D 11 0B 0 -11,-3.1 -11,-3.0 -2,-0.4 2,-0.5 -0.967 27.2-122.5-138.2 155.0 21.1 29.2 14.0 23 23 A L E -Df 10 84B 5 60,-2.8 62,-3.2 -2,-0.3 2,-1.0 -0.819 20.9-131.3 -97.9 129.7 20.9 28.3 10.3 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.2 -0.729 36.4-173.8 -79.3 109.1 20.3 31.1 7.7 25 25 A D > + 0 0 16 60,-2.6 3,-1.3 -2,-1.0 62,-0.3 -0.870 26.5 180.0-117.5 101.3 17.4 29.4 5.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.679 86.0 61.9 -70.7 -15.8 16.0 31.0 2.7 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.532 87.8 85.7 -85.7 -7.5 13.5 28.1 2.5 28 28 A A < - 0 0 18 -3,-1.3 59,-3.0 57,-0.2 60,-0.2 -0.844 61.6-160.7 -97.9 125.0 11.9 29.0 5.8 29 29 A D S S+ 0 0 57 -2,-0.5 59,-1.3 57,-0.2 2,-0.2 0.899 78.2 21.7 -68.1 -40.0 9.2 31.7 5.7 30 30 A D S S- 0 0 48 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.707 86.6 -98.4-123.5 175.2 9.5 32.3 9.4 31 31 A T E -g 75 0B 0 43,-0.5 45,-3.1 -2,-0.2 2,-0.4 -0.800 35.7-176.6 -97.6 130.5 12.0 31.9 12.2 32 32 A V E -gH 76 84B 5 52,-1.4 52,-3.0 -2,-0.4 2,-0.3 -0.990 1.7-171.8-133.8 127.6 11.7 29.0 14.5 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.3 -2,-0.4 47,-0.3 -0.810 32.4 -95.2-115.9 156.3 13.8 28.2 17.5 34 34 A E S S- 0 0 81 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.188 71.2 -56.5 -63.0 161.6 14.1 25.2 19.8 35 35 A E S S+ 0 0 108 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.090 79.5 137.6 -44.0 128.3 12.0 25.2 23.0 36 36 A M - 0 0 21 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.971 52.9 -95.7-166.3 163.6 12.8 28.3 25.2 37 37 A S + 0 0 104 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.772 39.5 176.4 -94.7 133.7 11.1 30.9 27.3 38 38 A L - 0 0 13 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.956 30.3-105.3-132.7 151.1 10.3 34.3 25.8 39 39 A P S S+ 0 0 106 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.338 76.4 31.9 -73.7 156.7 8.5 37.3 27.2 40 40 A G S S- 0 0 64 19,-0.1 2,-0.2 -2,-0.1 -2,-0.1 -0.178 95.1 -52.8 90.4 174.3 4.9 38.3 26.2 41 41 A R - 0 0 211 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.523 52.6-156.7 -86.2 157.9 1.9 36.4 25.2 42 42 A W - 0 0 121 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.875 8.4-140.2-132.2 164.3 2.0 33.9 22.4 43 43 A K E -I 58 0B 126 15,-1.5 15,-3.3 -2,-0.3 2,-0.2 -0.956 27.3-113.0-124.6 143.4 -0.4 32.3 19.9 44 44 A P E +I 57 0B 88 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.501 40.4 173.6 -76.2 148.0 -0.4 28.6 18.9 45 45 A K E -I 56 0B 72 11,-2.0 11,-2.9 -2,-0.2 2,-0.5 -0.983 27.1-137.5-151.0 155.0 0.5 27.9 15.2 46 46 A M E -I 55 0B 99 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.978 21.3-172.1-117.9 124.1 1.1 24.9 13.0 47 47 A I E -I 54 0B 27 7,-2.2 7,-2.2 -2,-0.5 2,-0.4 -0.939 7.6-152.0-118.1 142.5 4.0 25.1 10.6 48 48 A G E +I 53 0B 42 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.921 26.7 140.3-119.7 139.7 4.7 22.5 7.9 49 49 A G E > -I 52 0B 20 3,-2.4 3,-1.4 -2,-0.4 2,-0.3 -0.542 63.6 -24.3-142.8-151.0 7.9 21.4 6.2 50 50 A I T 3 S+ 0 0 25 1,-0.2 101,-1.9 -2,-0.2 102,-0.8 -0.568 132.3 21.8 -69.1 126.3 9.6 18.3 5.1 51 51 A G T 3 S- 0 0 33 -2,-0.3 2,-0.3 128,-0.3 -1,-0.2 0.146 123.4 -78.1 103.2 -20.9 8.1 15.5 7.1 52 52 A G E < -I 49 0B 27 -3,-1.4 -3,-2.4 100,-0.2 2,-0.2 -0.866 67.3 -33.5 128.2-161.9 4.9 17.2 8.1 53 53 A F E -I 48 0B 147 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.669 39.4-165.9-104.0 155.0 3.7 19.8 10.6 54 54 A I E -I 47 0B 21 -7,-2.2 -7,-2.2 -2,-0.2 2,-0.5 -0.960 25.4-117.2-134.0 151.2 4.7 20.7 14.1 55 55 A K E +I 46 0B 125 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.778 39.5 175.3 -91.4 131.4 3.0 22.9 16.7 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.0 -2,-0.5 2,-0.5 -0.840 31.9-116.0-130.9 166.9 4.8 26.0 17.7 57 57 A R E -IJ 44 77B 46 20,-3.1 20,-2.5 -2,-0.3 2,-0.6 -0.922 28.7-141.5-105.8 128.0 4.3 29.1 19.9 58 58 A Q E -IJ 43 76B 41 -15,-3.3 -15,-1.5 -2,-0.5 2,-0.4 -0.809 18.8-177.2 -96.0 121.4 4.2 32.4 18.1 59 59 A Y E - J 0 75B 10 16,-2.6 16,-3.0 -2,-0.6 3,-0.3 -0.954 12.2-152.2-115.3 133.8 5.9 35.4 19.7 60 60 A D E + 0 0 74 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.653 66.5 20.5-105.8 162.2 5.7 38.8 18.1 61 61 A Q E S+ 0 0 154 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.862 78.1 164.6 53.8 43.2 8.0 41.8 18.2 62 62 A I E - J 0 73B 20 11,-2.3 11,-1.9 -3,-0.3 2,-0.5 -0.750 32.5-134.2 -93.5 136.9 11.0 39.8 19.4 63 63 A L E + J 0 72B 82 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.769 28.5 174.1 -92.3 130.5 14.5 41.4 19.2 64 64 A I E - J 0 71B 0 7,-3.1 7,-2.5 -2,-0.5 2,-0.6 -0.992 24.1-144.7-136.2 143.0 17.3 39.2 17.8 65 65 A E E -EJ 14 70B 59 -51,-2.3 -51,-1.9 -2,-0.4 2,-0.6 -0.939 16.2-169.7-110.7 114.9 20.9 40.0 16.9 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.4 -2,-0.6 -53,-0.2 -0.916 72.9 -29.4-108.7 112.3 22.2 38.1 13.9 67 67 A C T 3 S- 0 0 55 -55,-1.7 -1,-0.2 -2,-0.6 -54,-0.1 0.834 128.9 -45.1 51.9 35.5 25.9 38.4 13.4 68 68 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.386 115.6 117.1 91.9 -4.8 25.9 41.8 15.0 69 69 A H E < - 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