==== 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 06-NOV-90 9HVP . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR D.J.NEIDHART,J.ERICKSON . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 33.7 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 . 0 0.0 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 . 28 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.0 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 . 1 1 4 1 0 3 0 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 . 1 0 1 0 1 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 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 78 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.7 -13.0 39.1 30.1 2 2 A Q E -A 198 0A 152 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.981 360.0-169.9-117.3 121.4 -14.4 37.8 26.8 3 3 A I E -A 197 0A 31 194,-3.6 194,-2.9 -2,-0.5 2,-0.3 -0.959 8.1-153.2-120.2 114.5 -12.3 34.9 25.3 4 4 A T E > -A 196 0A 82 -2,-0.5 3,-0.8 192,-0.2 192,-0.2 -0.682 17.5-130.7 -84.3 146.7 -13.1 33.7 21.7 5 5 A L T 3 S+ 0 0 1 190,-0.8 186,-0.2 -2,-0.3 -1,-0.1 0.462 81.1 100.6 -81.0 6.3 -12.2 30.1 20.9 6 6 A W T 3 S+ 0 0 180 185,-0.1 -1,-0.2 184,-0.1 2,-0.2 0.847 88.5 38.3 -58.7 -39.0 -10.2 30.7 17.7 7 7 A Q S < S- 0 0 169 -3,-0.8 0, 0.0 3,-0.0 0, 0.0 -0.677 110.8 -83.5-106.1 167.5 -6.9 30.3 19.6 8 8 A R - 0 0 121 -2,-0.2 2,-2.8 1,-0.1 119,-0.1 -0.626 48.1-123.5 -68.6 119.2 -6.2 27.8 22.4 9 9 A P + 0 0 6 0, 0.0 15,-1.6 0, 0.0 -1,-0.1 -0.197 50.3 158.5 -69.9 56.0 -7.6 29.6 25.6 10 10 A L + 0 0 78 -2,-2.8 2,-0.3 13,-0.2 13,-0.2 -0.315 12.4 174.1 -73.5 167.5 -4.3 29.6 27.7 11 11 A V - 0 0 20 11,-0.4 11,-2.7 -2,-0.0 2,-0.4 -0.964 31.7 -86.9-166.6 163.0 -4.1 32.1 30.5 12 12 A T E +D 21 0B 83 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.699 38.0 177.0 -91.5 139.5 -1.8 33.1 33.4 13 13 A I E -DE 20 66B 2 7,-2.3 7,-1.8 -2,-0.4 2,-0.3 -0.843 22.5-148.8-127.3 159.4 -1.9 31.7 36.8 14 14 A K E +DE 19 65B 94 51,-1.8 51,-1.0 -2,-0.3 2,-0.5 -0.893 26.9 167.0-132.1 101.6 0.2 32.2 40.0 15 15 A I E > -DE 18 64B 0 3,-1.0 3,-1.2 -2,-0.3 49,-0.1 -0.974 67.1 -11.8-116.6 115.9 0.2 28.8 42.0 16 16 A G T 3 S- 0 0 42 47,-0.6 -1,-0.2 -2,-0.5 21,-0.1 0.968 124.2 -51.4 63.2 60.1 2.9 28.6 44.9 17 17 A G T 3 S+ 0 0 70 -3,-0.1 -1,-0.3 1,-0.1 2,-0.2 0.442 119.7 105.6 60.8 -2.9 5.2 31.6 44.3 18 18 A Q E < -D 15 0B 70 -3,-1.2 -3,-1.0 2,-0.0 2,-0.4 -0.729 64.1-137.5-109.6 157.5 5.5 30.3 40.7 19 19 A L E +D 14 0B 122 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.951 31.6 160.8-117.0 126.5 4.0 31.7 37.4 20 20 A K E -D 13 0B 53 -7,-1.8 -7,-2.3 -2,-0.4 2,-0.4 -0.847 36.7-115.2-141.2 172.8 2.4 29.5 34.6 21 21 A E E -D 12 0B 118 -2,-0.3 62,-0.5 -9,-0.2 2,-0.4 -0.912 32.5-171.5-108.9 132.4 0.1 29.2 31.6 22 22 A A - 0 0 0 -11,-2.7 -11,-0.4 -2,-0.4 2,-0.3 -0.993 26.8-124.3-132.0 136.5 -3.0 27.1 31.8 23 23 A L E -i 84 0C 4 60,-2.7 62,-2.1 -2,-0.4 2,-0.9 -0.569 29.4-135.1 -63.1 123.2 -5.6 25.9 29.3 24 24 A L E -i 85 0C 0 -15,-1.6 2,-0.5 -2,-0.3 62,-0.1 -0.805 34.7-170.9 -86.2 115.1 -9.1 27.1 30.6 25 25 A D > - 0 0 0 60,-2.2 3,-0.8 -2,-0.9 62,-0.4 -0.875 36.3-176.1-125.8 119.5 -11.0 23.9 30.1 26 26 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.2 98,-0.1 0.709 87.0 64.6 -74.5 -22.8 -14.7 23.3 30.4 27 27 A G T 3 S+ 0 0 3 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.598 88.5 78.7 -81.3 -12.8 -14.3 19.5 29.7 28 28 A A < - 0 0 0 -3,-0.8 59,-2.6 173,-0.3 60,-0.2 -0.815 56.9-166.1 -93.8 128.3 -12.2 18.9 32.9 29 29 A D S S+ 0 0 25 -2,-0.5 2,-0.4 57,-0.2 59,-0.2 0.559 79.9 58.3 -83.5 -1.9 -14.1 18.6 36.2 30 30 A D S S- 0 0 21 57,-0.1 2,-0.8 58,-0.1 57,-0.1 -0.974 79.2-128.1-136.1 141.9 -10.6 19.0 37.7 31 31 A T + 0 0 1 43,-0.4 45,-2.2 -2,-0.4 2,-0.6 -0.727 34.4 179.9 -73.8 105.0 -7.6 21.3 37.7 32 32 A V E -f 76 0B 0 -2,-0.8 52,-2.3 52,-0.3 2,-0.3 -0.971 3.4-175.2-116.8 119.9 -4.7 19.0 36.8 33 33 A L E -f 77 0B 0 43,-2.8 45,-1.6 -2,-0.6 50,-0.2 -0.785 27.4-107.2-105.6 148.5 -1.4 20.8 36.7 34 34 A E - 0 0 92 -2,-0.3 -1,-0.2 43,-0.2 2,-0.1 0.034 59.3 -61.9 -60.8 177.4 1.9 19.3 35.6 35 35 A E + 0 0 107 43,-0.3 2,-0.2 45,-0.2 -1,-0.2 -0.461 68.5 142.0 -69.2 143.3 4.6 18.5 38.2 36 36 A M - 0 0 25 -2,-0.1 2,-0.8 -3,-0.1 -3,-0.0 -0.839 60.7 -78.4-156.2-177.0 6.0 21.3 40.3 37 37 A N + 0 0 140 -2,-0.2 -2,-0.0 -21,-0.1 0, 0.0 -0.879 54.9 170.3 -92.6 107.9 7.2 21.7 44.0 38 38 A L - 0 0 10 -2,-0.8 2,-0.6 2,-0.1 -2,-0.0 -0.938 28.4-131.7-114.4 140.8 4.0 22.1 45.9 39 39 A P + 0 0 106 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.890 57.3 56.4-100.7 122.4 4.3 22.0 49.7 40 40 A G S S- 0 0 52 -2,-0.6 2,-0.2 2,-0.0 -2,-0.1 -0.860 84.8 -56.5 156.0 177.1 1.9 19.8 51.8 41 41 A R - 0 0 238 -2,-0.2 2,-0.4 19,-0.1 19,-0.4 -0.643 55.6-164.5 -75.5 148.8 0.4 16.3 52.5 42 42 A W - 0 0 97 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.998 14.4-145.2-137.0 140.6 -1.1 14.9 49.4 43 43 A K E -G 58 0B 117 15,-1.4 15,-2.5 -2,-0.4 2,-0.2 -0.571 27.4-116.5 -81.9 156.5 -3.6 12.0 48.8 44 44 A P E +G 57 0B 98 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.695 41.4 159.2 -81.1 163.8 -3.3 9.9 45.5 45 45 A K E -G 56 0B 53 11,-1.7 11,-2.7 -2,-0.2 2,-0.3 -0.910 26.8-137.1-164.6 174.8 -6.0 9.8 43.0 46 46 A M E -G 55 0B 118 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 13.8-165.1-151.7 137.6 -6.5 9.0 39.4 47 47 A I E -G 54 0B 0 7,-1.6 7,-1.7 -2,-0.3 2,-0.4 -0.925 15.6-128.9-128.7 155.0 -8.4 10.7 36.6 48 48 A G E +G 53 0B 10 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.829 27.7 164.5-103.7 145.7 -9.5 9.7 33.2 49 49 A G - 0 0 10 3,-2.1 102,-0.1 101,-0.5 -21,-0.0 -0.386 60.0 -71.0-132.8-155.9 -8.9 11.7 30.0 50 50 A I S S+ 0 0 24 151,-0.3 101,-0.1 -2,-0.2 103,-0.1 0.887 128.7 32.3 -78.4 -35.8 -9.2 10.4 26.4 51 51 A G S S- 0 0 33 99,-1.1 102,-0.3 101,-0.4 100,-0.3 0.761 123.7 -54.6 -94.1 -29.0 -6.2 8.0 26.2 52 52 A G - 0 0 21 98,-2.6 -3,-2.1 100,-0.2 2,-0.4 -0.751 59.8 -56.3-165.5-142.0 -6.0 6.9 29.8 53 53 A F E -G 48 0B 143 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.995 37.8-152.7-136.5 117.1 -5.8 7.4 33.5 54 54 A I E -G 47 0B 14 -7,-1.7 -7,-1.6 -2,-0.4 2,-0.5 -0.777 16.5-129.8 -97.5 144.8 -3.0 9.3 35.2 55 55 A K E +G 46 0B 162 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.847 42.7 172.6 -84.6 124.9 -1.9 8.7 38.8 56 56 A V E -G 45 0B 5 -11,-2.7 -11,-1.7 -2,-0.5 2,-0.5 -0.968 32.6-119.2-141.9 154.9 -1.9 12.2 40.4 57 57 A R E -GH 44 77B 82 20,-2.4 20,-2.2 -2,-0.3 2,-0.5 -0.800 26.9-132.7 -97.7 120.8 -1.4 13.7 43.9 58 58 A Q E -GH 43 76B 39 -15,-2.5 -15,-1.4 -2,-0.5 2,-0.5 -0.634 20.6-175.9 -76.4 124.2 -4.2 15.6 45.4 59 59 A Y E - H 0 75B 12 16,-2.2 16,-3.0 -2,-0.5 2,-0.3 -0.972 12.1-167.1-109.2 126.7 -3.4 19.0 47.0 60 60 A D E + 0 0 65 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.863 61.8 25.6-112.9 152.6 -6.5 20.4 48.6 61 61 A Q E S+ 0 0 175 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.944 78.0 150.9 62.5 56.4 -6.9 24.1 49.8 62 62 A I E - H 0 73B 26 11,-2.8 11,-2.0 -3,-0.2 2,-0.4 -0.937 40.4-130.6-115.8 138.5 -4.4 25.8 47.5 63 63 A L E + H 0 72B 89 -2,-0.4 -47,-0.6 9,-0.2 2,-0.3 -0.720 25.7 178.6 -95.9 133.6 -4.7 29.4 46.3 64 64 A I E -EH 15 71B 1 7,-2.5 7,-1.6 -2,-0.4 2,-0.6 -0.934 24.7-147.5-127.6 146.1 -4.3 30.3 42.7 65 65 A E E -EH 14 70B 61 -51,-1.0 -51,-1.8 -2,-0.3 2,-0.4 -1.000 22.2-177.5-105.9 110.7 -4.6 33.7 41.0 66 66 A I E > S-EH 13 69B 0 3,-2.9 3,-2.9 -2,-0.6 -53,-0.2 -0.907 77.2 -16.7 -99.9 141.6 -6.1 32.8 37.6 67 67 A C T 3 S- 0 0 57 -55,-1.7 -54,-0.1 -2,-0.4 3,-0.1 0.693 129.6 -50.7 25.4 43.1 -6.3 36.2 35.7 68 68 A G T 3 S+ 0 0 62 1,-0.2 2,-0.8 -56,-0.2 -1,-0.3 0.361 117.5 113.3 86.2 -7.1 -6.0 38.4 38.8 69 69 A H E < - H 0 66B 69 -3,-2.9 -3,-2.9 2,-0.0 -1,-0.2 -0.867 56.2-154.5-106.6 113.3 -8.7 36.5 40.5 70 70 A K E + H 0 65B 142 -2,-0.8 2,-0.3 -5,-0.3 -5,-0.3 -0.527 21.8 164.9 -79.1 157.7 -7.6 34.5 43.5 71 71 A A E - H 0 64B 11 -7,-1.6 -7,-2.5 -2,-0.2 2,-0.4 -0.932 30.2-128.1-169.9 145.8 -9.6 31.4 44.3 72 72 A I E + H 0 63B 78 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.929 43.6 134.9-108.4 137.1 -8.9 28.4 46.7 73 73 A G E - H 0 62B 10 -11,-2.0 -11,-2.8 -2,-0.4 2,-0.4 -0.880 55.0 -74.6-158.7-171.7 -9.3 24.9 45.4 74 74 A T E - 0 0 44 -2,-0.3 -43,-0.4 -14,-0.2 2,-0.4 -0.843 44.6-168.5 -99.0 134.9 -8.1 21.4 45.1 75 75 A V E - H 0 59B 1 -16,-3.0 -16,-2.2 -2,-0.4 2,-0.4 -0.995 12.0-146.1-139.1 129.6 -5.3 20.9 42.5 76 76 A L E -fH 32 58B 2 -45,-2.2 -43,-2.8 -2,-0.4 2,-0.5 -0.796 10.5-160.3 -94.0 123.3 -3.9 17.7 41.1 77 77 A V E +fH 33 57B 0 -20,-2.2 -20,-2.4 -2,-0.4 -43,-0.2 -0.896 40.9 93.7-110.1 136.7 -0.2 17.5 40.3 78 78 A G S S- 0 0 2 -45,-1.6 2,-1.8 -2,-0.5 -43,-0.3 -0.980 76.1 -23.6 172.1-160.5 1.0 14.8 38.0 79 79 A P S S+ 0 0 87 0, 0.0 72,-0.4 0, 0.0 -45,-0.1 -0.407 70.8 137.3 -79.1 68.7 1.8 13.8 34.3 80 80 A T - 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