==== 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 30-APR-90 5HVP . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.M.D.FITZGERALD,B.M.MCKEEVER,J.F.VANMIDDLESWORTH,J.P.SPRING . 203 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.0 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 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.4 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 . 2 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 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 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 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 84 0, 0.0 198,-1.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 159.5 30.0 38.9 4.6 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.4 197,-0.2 196,-0.2 -0.968 360.0-161.1-109.6 113.9 29.6 36.6 1.6 3 3 A I E -A 197 0A 33 194,-3.1 194,-2.1 -2,-0.6 2,-0.2 -0.839 4.4-149.1 -97.8 132.8 28.9 33.1 2.8 4 4 A T E -A 196 0A 63 -2,-0.4 3,-0.4 192,-0.2 192,-0.1 -0.571 14.8-130.4 -92.1 164.7 29.5 30.1 0.5 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 -2,-0.2 185,-0.1 -0.067 76.2 108.7-110.2 30.0 27.3 27.0 0.7 6 6 A W S S+ 0 0 176 2,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.853 93.4 27.0 -71.0 -31.4 30.0 24.3 0.9 7 7 A Q S S- 0 0 136 -3,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.763 110.7 -73.5-122.0 172.8 28.9 24.0 4.5 8 8 A R - 0 0 96 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.411 50.4-119.6 -63.5 130.7 25.7 24.7 6.4 9 9 A P + 0 0 3 0, 0.0 15,-2.1 0, 0.0 2,-0.3 -0.457 50.4 167.0 -72.4 83.1 25.4 28.5 6.6 10 10 A L E +D 23 0B 84 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.750 7.5 171.7-100.7 137.6 25.5 28.7 10.5 11 11 A V E -D 22 0B 13 11,-2.6 11,-2.5 -2,-0.3 2,-0.4 -0.856 35.8-102.3-136.3 171.4 26.0 32.0 12.3 12 12 A T E -D 21 0B 72 -2,-0.3 55,-1.6 9,-0.2 2,-0.3 -0.808 34.9-165.4 -99.8 137.5 25.7 33.0 16.0 13 13 A I E -DE 20 66B 1 7,-3.5 7,-3.9 -2,-0.4 2,-0.6 -0.859 14.1-144.0-119.1 151.7 22.6 34.9 17.1 14 14 A K E +DE 19 65B 91 51,-1.6 51,-1.6 -2,-0.3 2,-0.4 -0.990 27.6 170.4-117.3 112.4 22.1 36.8 20.3 15 15 A I E > -D 18 0B 0 3,-3.4 3,-1.7 -2,-0.6 49,-0.1 -0.945 67.4 -19.8-132.8 110.7 18.6 36.4 21.5 16 16 A G T 3 S- 0 0 66 -2,-0.4 -1,-0.1 47,-0.4 3,-0.1 0.924 127.4 -50.1 57.3 52.9 17.5 37.6 24.9 17 17 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.280 117.1 115.4 72.1 -6.2 21.0 37.6 26.2 18 18 A Q E < -D 15 0B 99 -3,-1.7 -3,-3.4 0, 0.0 2,-0.5 -0.764 60.0-140.9 -98.2 140.3 21.6 34.1 25.0 19 19 A L E +D 14 0B 120 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.901 33.7 169.7 -99.5 123.9 24.1 33.4 22.3 20 20 A K E -D 13 0B 44 -7,-3.9 -7,-3.5 -2,-0.5 2,-0.4 -0.826 33.4-120.6-134.6 169.5 22.9 30.7 19.8 21 21 A E E +D 12 0B 94 -2,-0.3 62,-0.5 -9,-0.3 2,-0.3 -0.955 35.3 173.9-110.6 134.3 23.7 29.1 16.6 22 22 A A E -D 11 0B 0 -11,-2.5 -11,-2.6 -2,-0.4 2,-0.4 -0.971 30.6-116.4-147.1 156.1 21.2 29.2 13.7 23 23 A L E -Df 10 84B 2 60,-2.4 62,-3.6 -2,-0.3 2,-1.2 -0.704 21.4-134.5 -83.8 127.4 20.8 28.3 10.1 24 24 A L E - f 0 85B 0 -15,-2.1 2,-0.7 -2,-0.4 62,-0.2 -0.785 34.4-173.8 -84.4 102.9 20.3 31.1 7.5 25 25 A D > - 0 0 0 60,-2.5 3,-1.4 -2,-1.2 62,-0.3 -0.858 26.4-178.1-109.0 110.4 17.4 29.3 5.6 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.616 87.7 63.7 -79.3 -4.3 16.2 31.0 2.4 27 27 A G T 3 S+ 0 0 3 81,-0.1 2,-0.5 96,-0.1 176,-0.4 0.189 87.0 84.1-102.4 11.5 13.7 28.1 2.3 28 28 A A < - 0 0 0 -3,-1.4 59,-3.0 174,-0.3 174,-0.3 -0.974 59.5-161.6-114.3 121.8 12.0 29.1 5.5 29 29 A D S S+ 0 0 26 172,-3.1 59,-1.0 -2,-0.5 2,-0.3 0.791 80.1 29.2 -68.5 -33.7 9.3 31.8 5.5 30 30 A D S S- 0 0 38 171,-0.4 2,-0.4 57,-0.2 57,-0.1 -0.872 85.1-105.2-129.9 158.2 9.7 32.3 9.2 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.3 -2,-0.3 2,-0.5 -0.733 35.0-170.6 -83.0 130.8 12.3 32.1 11.9 32 32 A V E -gH 76 84B 0 52,-1.9 52,-3.0 -2,-0.4 2,-0.2 -0.993 1.7-166.1-127.9 121.7 11.8 29.0 14.1 33 33 A L E -g 77 0B 0 43,-3.4 45,-2.2 -2,-0.5 47,-0.4 -0.647 28.6-101.2-104.8 156.2 13.8 28.6 17.3 34 34 A E E -g 78 0B 73 -2,-0.2 -1,-0.1 43,-0.2 49,-0.0 -0.501 68.9 -58.9 -72.9 153.9 14.3 25.6 19.5 35 35 A E S S+ 0 0 104 43,-0.6 2,-0.3 45,-0.1 -1,-0.2 0.012 78.7 134.6 -34.5 123.3 12.1 25.5 22.7 36 36 A M - 0 0 23 -3,-0.1 2,-0.5 2,-0.0 -3,-0.1 -0.962 55.7 -97.8-171.1 157.7 12.7 28.4 25.0 37 37 A N + 0 0 138 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.729 38.3 177.1 -90.4 120.5 10.9 31.0 27.1 38 38 A L - 0 0 9 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.964 30.5-114.6-122.5 141.1 10.5 34.3 25.5 39 39 A P S S+ 0 0 102 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.284 74.1 54.3 -78.2 158.1 8.6 37.1 27.2 40 40 A G S S- 0 0 62 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.310 94.2 -62.0 102.8 166.8 5.3 38.5 25.9 41 41 A R - 0 0 96 -2,-0.1 19,-0.4 1,-0.0 2,-0.3 -0.431 53.9-154.8 -83.1 160.6 2.1 36.7 25.0 42 42 A W - 0 0 119 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.909 11.5-144.0-138.3 163.6 2.0 34.1 22.2 43 43 A K E -I 58 0B 41 15,-1.8 15,-3.7 -2,-0.3 2,-0.2 -0.986 26.9-116.6-127.7 138.6 -0.3 32.5 19.7 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.455 38.9 169.8 -76.2 144.4 -0.2 28.9 18.5 45 45 A K E -I 56 0B 83 11,-2.2 11,-3.1 -2,-0.2 2,-0.4 -0.923 28.2-131.7-150.8 158.1 0.6 28.3 14.9 46 46 A M E -I 55 0B 112 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.987 21.1-170.9-118.5 131.0 1.3 25.2 12.8 47 47 A I E -I 54 0B 5 7,-2.4 7,-2.2 -2,-0.4 2,-0.2 -0.961 8.1-156.5-126.3 144.0 4.3 25.3 10.4 48 48 A G E +I 53 0B 2 -2,-0.4 154,-2.5 5,-0.2 2,-0.3 -0.592 26.4 124.7-115.8 173.9 5.1 22.6 7.9 49 49 A G E > -Ij 52 202B 8 3,-1.0 3,-2.1 152,-0.2 2,-0.3 -0.920 66.2 -5.0 172.8-152.6 7.8 21.2 5.9 50 50 A I T 3 S+ 0 0 0 153,-0.6 101,-2.4 152,-0.6 102,-0.9 -0.546 132.5 20.3 -69.8 126.4 9.6 17.9 5.2 51 51 A G T 3 S- 0 0 34 128,-0.4 2,-0.3 -2,-0.3 -1,-0.3 0.431 121.6 -89.2 97.2 -4.8 8.0 15.4 7.4 52 52 A G E < -I 49 0B 29 -3,-2.1 -3,-1.0 100,-0.1 2,-0.3 -0.699 67.5 -20.8 109.3-154.2 4.8 17.4 8.1 53 53 A F E -I 48 0B 136 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.814 38.8-167.9-108.9 142.7 3.7 19.9 10.6 54 54 A I E -I 47 0B 21 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.4 -0.856 26.0-123.4-119.7 151.7 4.8 21.0 14.1 55 55 A K E +I 46 0B 131 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.868 36.9 177.6 -94.1 134.8 2.9 23.3 16.5 56 56 A V E -I 45 0B 3 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.5 -0.862 31.8-116.7-136.0 163.6 4.9 26.3 17.6 57 57 A R E -IK 44 77B 52 20,-2.6 20,-1.7 -2,-0.3 2,-0.5 -0.918 30.4-143.2-102.5 127.0 4.2 29.4 19.7 58 58 A Q E -IK 43 76B 33 -15,-3.7 -15,-1.8 -2,-0.5 2,-0.4 -0.885 15.6-171.6 -96.3 126.2 4.5 32.7 17.7 59 59 A Y E - K 0 75B 3 16,-2.9 16,-2.6 -2,-0.5 3,-0.3 -0.918 15.0-141.3-116.2 135.6 6.0 35.8 19.4 60 60 A D E S+ 0 0 94 -19,-0.4 14,-0.2 -2,-0.4 13,-0.0 -0.607 70.9 8.9 -99.7 154.7 5.8 39.1 17.6 61 61 A Q E S+ 0 0 77 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.853 75.1 165.5 40.9 64.2 8.4 41.8 17.5 62 62 A I E - K 0 73B 20 11,-2.9 11,-1.9 -3,-0.3 2,-0.4 -0.802 33.3-129.5 -98.4 146.1 11.3 39.9 19.1 63 63 A L E + K 0 72B 90 -2,-0.3 -47,-0.4 9,-0.2 2,-0.4 -0.823 31.0 173.5-100.7 130.9 14.8 41.5 18.6 64 64 A I E - K 0 71B 0 7,-2.6 7,-2.4 -2,-0.4 2,-0.6 -0.972 24.5-144.3-133.4 144.4 17.5 39.2 17.4 65 65 A E E -EK 14 70B 58 -51,-1.6 -51,-1.6 -2,-0.4 2,-0.7 -0.990 15.4-164.6-111.0 116.2 21.1 40.2 16.4 66 66 A I E > S-EK 13 69B 0 3,-2.9 3,-1.8 -2,-0.6 -53,-0.2 -0.917 75.9 -24.1-104.2 109.7 22.2 38.1 13.5 67 67 A C T 3 S- 0 0 51 -55,-1.6 -1,-0.2 -2,-0.7 -54,-0.1 0.938 130.8 -46.6 56.6 45.1 26.0 38.4 13.1 68 68 A G T 3 S+ 0 0 56 -56,-0.2 -1,-0.3 1,-0.2 2,-0.3 -0.067 116.1 111.1 87.3 -30.0 25.9 41.7 14.9 69 69 A H E < - 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