==== 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 24-AUG-93 1SIV . COMPND 2 MOLECULE: SIV PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN IMMUNODEFICIENCY VIRUS; . AUTHOR B.ZHAO,S.ABDEL-MEGUID . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.0 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 . 32 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.5 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 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 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 . 1 3 2 0 0 3 1 1 1 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 85 0, 0.0 198,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.5 11.0 30.1 51.1 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.995 360.0-156.4-137.6 131.2 8.3 30.7 48.3 3 3 A F E -A 197 0A 39 194,-2.8 194,-2.4 -2,-0.4 5,-0.0 -0.976 3.0-167.4-114.7 116.2 8.2 28.7 45.1 4 4 A S - 0 0 58 -2,-0.6 190,-0.1 192,-0.2 -1,-0.1 0.450 33.6-133.1 -74.8 -16.0 6.5 30.6 42.4 5 5 A L S S+ 0 0 1 2,-0.2 186,-0.2 1,-0.1 185,-0.1 0.517 72.8 121.9 70.0 15.5 6.4 27.4 40.4 6 6 A W S S+ 0 0 179 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.659 87.3 30.0 -74.4 -15.8 7.6 28.9 37.1 7 7 A R S S- 0 0 208 180,-0.0 -2,-0.2 3,-0.0 0, 0.0 -0.929 113.9 -79.1-133.6 159.1 10.4 26.3 37.4 8 8 A R - 0 0 95 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.437 46.6-118.2 -57.7 132.9 10.2 22.9 39.2 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.563 53.0 161.5 -71.5 78.6 10.4 23.4 43.0 10 10 A V E +D 23 0B 58 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.835 8.7 169.2-101.7 146.3 13.6 21.4 43.5 11 11 A V E -D 22 0B 27 11,-2.0 11,-3.1 -2,-0.4 2,-0.6 -0.878 36.3-100.7-146.2 168.5 15.8 21.8 46.6 12 12 A T E -D 21 0B 74 -2,-0.3 55,-0.4 9,-0.2 2,-0.3 -0.890 37.3-177.7-101.3 124.7 18.8 20.0 48.3 13 13 A A E -D 20 0B 0 7,-3.0 7,-2.7 -2,-0.6 2,-0.5 -0.815 23.2-140.2-116.6 153.1 18.0 17.8 51.1 14 14 A H E -DE 19 65B 69 51,-2.5 51,-2.5 -2,-0.3 2,-0.7 -0.996 19.3-168.3-112.3 115.1 20.5 15.8 53.3 15 15 A I E > S-DE 18 64B 0 3,-2.6 3,-2.2 -2,-0.5 49,-0.2 -0.964 77.7 -25.4-111.6 107.5 18.9 12.3 53.9 16 16 A E T 3 S- 0 0 83 47,-3.1 -1,-0.2 -2,-0.7 48,-0.1 0.878 130.3 -46.6 54.4 39.1 21.0 10.7 56.6 17 17 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 46,-0.2 47,-0.1 0.156 113.8 113.6 94.6 -17.5 23.9 12.7 55.6 18 18 A Q E < -D 15 0B 72 -3,-2.2 -3,-2.6 1,-0.0 -1,-0.2 -0.737 65.4-130.3 -87.3 128.3 23.7 12.3 51.8 19 19 A P E +D 14 0B 87 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.588 34.1 175.9 -66.8 138.0 22.9 15.4 49.8 20 20 A V E -D 13 0B 18 -7,-2.7 -7,-3.0 -2,-0.2 2,-0.4 -0.982 31.2-125.7-144.6 141.8 20.0 14.6 47.3 21 21 A E E -D 12 0B 113 -2,-0.3 2,-0.4 -9,-0.2 62,-0.3 -0.786 37.7-170.0 -84.8 137.4 18.1 17.0 44.9 22 22 A V E -D 11 0B 2 -11,-3.1 -11,-2.0 -2,-0.4 2,-0.4 -0.980 23.2-136.6-137.6 137.9 14.4 16.7 45.6 23 23 A L E -Df 10 84B 0 60,-3.1 62,-2.6 -2,-0.4 2,-1.0 -0.774 22.3-133.8 -89.8 133.8 11.2 17.9 44.0 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.7 -2,-0.4 62,-0.2 -0.722 32.4-171.4 -85.0 107.9 8.6 19.3 46.3 25 25 A D > + 0 0 1 60,-2.7 3,-1.5 -2,-1.0 62,-0.3 -0.823 29.3 180.0-112.6 109.3 5.5 17.5 45.2 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.644 89.0 60.5 -73.3 -15.4 1.9 18.4 46.4 27 27 A G T 3 S+ 0 0 9 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.387 89.4 88.3 -90.7 0.8 0.6 15.7 44.1 28 28 A A < - 0 0 9 -3,-1.5 59,-3.1 57,-0.2 60,-0.2 -0.888 54.3-167.9-105.6 126.5 2.6 13.0 45.9 29 29 A D S S+ 0 0 57 -2,-0.5 59,-0.8 57,-0.2 2,-0.2 0.871 79.2 29.7 -76.1 -32.7 1.2 11.1 48.9 30 30 A D S S- 0 0 55 57,-0.1 2,-0.5 58,-0.1 57,-0.2 -0.627 81.5-114.7-119.9 177.8 4.6 9.6 49.7 31 31 A S - 0 0 2 43,-0.2 45,-2.1 -2,-0.2 2,-0.4 -0.972 31.5-173.5-114.6 119.1 8.3 10.5 49.3 32 32 A I E +g 76 0B 9 -2,-0.5 52,-3.1 52,-0.5 2,-0.3 -0.959 4.1 179.3-117.6 138.9 10.2 8.2 46.9 33 33 A V E -g 77 0B 0 43,-2.6 45,-2.0 -2,-0.4 2,-0.4 -0.912 10.0-160.6-135.5 151.5 14.0 8.5 46.5 34 34 A T + 0 0 56 -2,-0.3 3,-0.1 43,-0.2 45,-0.1 -0.949 67.0 38.0-129.1 154.6 16.6 6.6 44.4 35 35 A G S S+ 0 0 73 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.408 90.4 88.9 95.9 -1.2 20.2 6.3 44.7 36 36 A I - 0 0 15 -3,-0.0 2,-0.6 -18,-0.0 -1,-0.2 -0.965 65.8-142.1-126.4 137.9 20.7 6.2 48.5 37 37 A E - 0 0 124 -2,-0.4 -3,-0.0 1,-0.1 40,-0.0 -0.912 14.0-174.2-108.5 124.6 20.6 2.9 50.4 38 38 A L - 0 0 36 -2,-0.6 3,-0.2 1,-0.3 -1,-0.1 0.524 43.0-107.8 -93.1 -6.8 18.8 3.2 53.7 39 39 A G - 0 0 15 1,-0.1 -1,-0.3 20,-0.0 0, 0.0 -0.610 42.9 -50.0 119.8-173.7 19.6 -0.3 55.0 40 40 A P S S+ 0 0 100 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.577 99.6 82.2 -81.5 -14.3 17.8 -3.7 55.7 41 41 A H + 0 0 161 -3,-0.2 19,-0.3 19,-0.1 2,-0.3 -0.778 61.1 110.6-104.5 109.7 14.7 -2.9 57.7 42 42 A Y - 0 0 90 -2,-0.9 17,-0.2 17,-0.1 34,-0.0 -0.954 60.6-112.1-157.3 177.3 11.8 -1.8 55.6 43 43 A T E -H 58 0B 71 15,-1.2 15,-2.7 -2,-0.3 2,-0.2 -0.976 30.3-124.1-122.0 124.8 8.4 -2.8 54.3 44 44 A P E +H 57 0B 95 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.540 43.8 168.7 -55.0 137.4 7.9 -3.6 50.6 45 45 A K E -H 56 0B 83 11,-2.3 11,-3.0 -2,-0.2 2,-0.3 -0.899 28.3-133.6-147.4 172.0 5.2 -1.3 49.5 46 46 A I E -H 55 0B 93 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.973 17.7-174.9-132.9 138.6 3.8 -0.4 46.1 47 47 A V E -H 54 0B 19 7,-2.0 7,-2.4 -2,-0.3 2,-0.3 -0.991 9.6-164.3-133.9 147.9 3.0 3.2 44.9 48 48 A G E +H 53 0B 47 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.787 21.0 135.2-129.2 172.6 1.3 4.1 41.6 49 49 A G - 0 0 8 3,-2.5 3,-0.4 101,-0.3 2,-0.2 -0.853 64.6 -10.6-177.6-150.1 0.7 7.0 39.2 50 50 A I S S+ 0 0 0 -2,-0.2 2,-0.2 1,-0.2 99,-0.1 -0.586 132.6 23.5 -64.4 130.9 0.9 7.9 35.5 51 51 A G S S- 0 0 38 -2,-0.2 2,-0.3 98,-0.1 -1,-0.2 -0.182 124.1 -79.6 101.8 -44.8 2.5 5.0 33.9 52 52 A G - 0 0 32 98,-0.6 -3,-2.5 -3,-0.4 2,-0.3 -0.999 61.3 -47.4 151.4-143.6 1.7 2.4 36.5 53 53 A F E -H 48 0B 132 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.842 39.5-159.4-124.8 160.8 3.0 1.3 39.9 54 54 A I E -H 47 0B 9 -7,-2.4 -7,-2.0 -2,-0.3 2,-0.4 -0.916 25.0-110.9-134.7 163.1 6.5 0.5 41.2 55 55 A N E -H 46 0B 99 -2,-0.3 24,-0.5 -9,-0.2 2,-0.3 -0.762 39.1-170.7 -93.9 138.9 7.7 -1.5 44.1 56 56 A T E -HI 45 78B 3 -11,-3.0 -11,-2.3 -2,-0.4 2,-0.6 -0.897 25.9-132.4-132.3 162.5 9.3 0.5 46.9 57 57 A K E -HI 44 77B 84 20,-2.4 20,-2.5 -2,-0.3 2,-0.5 -0.971 29.5-148.3-114.6 115.3 11.2 -0.1 50.1 58 58 A E E -HI 43 76B 23 -15,-2.7 -15,-1.2 -2,-0.6 2,-0.4 -0.821 14.2-171.1 -93.5 126.7 9.6 2.0 53.0 59 59 A Y E - I 0 75B 9 16,-3.1 16,-1.6 -2,-0.5 2,-0.3 -0.849 5.5-154.8-119.8 145.4 11.7 3.3 55.8 60 60 A K E + 0 0 133 -2,-0.4 14,-0.2 -19,-0.3 3,-0.1 -0.839 69.6 25.5-117.4 158.8 10.8 5.0 59.0 61 61 A N E S+ 0 0 121 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.889 75.9 172.2 59.9 37.8 12.5 7.3 61.2 62 62 A V E - I 0 73B 3 11,-2.6 11,-2.0 -3,-0.3 2,-0.6 -0.723 30.6-130.5 -85.7 126.1 14.7 8.7 58.5 63 63 A K E + I 0 72B 121 -2,-0.5 -47,-3.1 9,-0.2 2,-0.4 -0.715 34.5 171.0 -76.1 116.0 16.7 11.7 59.4 64 64 A I E -EI 15 71B 4 7,-2.6 7,-2.8 -2,-0.6 2,-0.5 -0.979 23.5-164.3-133.2 140.5 16.4 14.5 56.9 65 65 A E E +EI 14 70B 68 -51,-2.5 -51,-2.5 -2,-0.4 2,-0.3 -0.995 27.5 156.6-119.2 120.2 17.6 18.2 56.9 66 66 A V E > + I 0 69B 2 3,-2.0 3,-3.5 -2,-0.5 -53,-0.1 -0.962 61.7 1.3-140.9 154.7 15.8 20.3 54.2 67 67 A L T 3 S- 0 0 42 -55,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.799 130.6 -53.3 34.8 43.9 15.3 24.1 54.0 68 68 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.545 118.3 107.4 74.3 0.3 17.1 24.8 57.3 69 69 A K E < - I 0 66B 88 -3,-3.5 -3,-2.0 2,-0.0 2,-0.5 -0.836 58.3-148.1-112.9 152.2 15.0 22.3 59.2 70 70 A R E + I 0 65B 198 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.981 28.9 164.0-115.0 123.6 15.8 18.8 60.6 71 71 A I E - I 0 64B 15 -7,-2.8 -7,-2.6 -2,-0.5 2,-0.4 -0.916 32.4-136.7-134.4 160.2 12.8 16.4 60.6 72 72 A K E + I 0 63B 131 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.899 45.6 140.9-112.5 144.7 12.6 12.6 61.0 73 73 A G E - 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