==== 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 18-MAR-93 1IVQ . COMPND 2 MOLECULE: HIV-2 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 2; . AUTHOR A.M.MULICHAK,K.D.WATENPAUGH . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.3 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 . 63 31.7 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 . 33 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 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 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 2 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 0 PARALLEL BRIDGES PER LADDER . 3 1 2 0 2 2 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 . 0 1 0 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 0 128 0, 0.0 198,-2.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-153.4 23.4 32.4 19.0 2 2 A Q - 0 0 47 196,-0.3 2,-0.3 95,-0.0 196,-0.2 -0.220 360.0-153.7 -94.9-178.1 20.9 30.3 17.1 3 3 A F - 0 0 119 -2,-0.1 194,-0.4 4,-0.0 2,-0.3 -0.856 22.0 -96.4-151.8 177.4 20.6 26.5 16.7 4 4 A S - 0 0 65 -2,-0.3 192,-0.1 192,-0.2 187,-0.1 -0.767 3.7-148.9-108.2 153.6 19.1 24.1 14.1 5 5 A L S S+ 0 0 2 190,-0.6 186,-0.2 -2,-0.3 191,-0.1 0.180 88.8 85.5-103.2 13.7 15.8 22.3 13.8 6 6 A W S S+ 0 0 178 1,-0.1 2,-0.4 185,-0.1 -1,-0.1 0.979 86.4 60.0 -70.8 -56.3 17.5 19.5 12.0 7 7 A K S S- 0 0 66 1,-0.1 -1,-0.1 2,-0.0 -4,-0.0 -0.574 104.8-115.3 -71.8 124.3 18.3 18.2 15.5 8 8 A R - 0 0 92 -2,-0.4 2,-2.8 1,-0.2 119,-0.1 -0.511 38.9-108.6 -60.1 126.9 15.0 17.5 17.4 9 9 A P + 0 0 16 0, 0.0 15,-2.6 0, 0.0 2,-0.5 -0.309 62.3 154.3 -62.4 61.1 15.3 20.1 20.2 10 10 A V E +A 23 0A 66 -2,-2.8 2,-0.3 13,-0.2 13,-0.2 -0.811 12.4 168.0 -96.0 128.6 15.9 17.6 23.1 11 11 A V E -A 22 0A 27 11,-3.0 11,-3.2 -2,-0.5 2,-0.4 -0.813 32.9-119.8-132.4 166.2 17.9 18.8 26.1 12 12 A T E +A 21 0A 83 9,-0.3 55,-0.5 -2,-0.3 2,-0.3 -0.875 34.9 176.9-108.3 145.8 18.6 17.6 29.7 13 13 A A E -AB 20 66A 4 7,-2.9 7,-3.9 -2,-0.4 2,-0.8 -0.964 33.5-120.0-145.4 154.9 17.4 19.7 32.6 14 14 A Y E -AB 19 65A 124 51,-2.3 51,-1.3 -2,-0.3 2,-1.1 -0.923 23.5-163.8-101.9 110.0 17.4 19.4 36.4 15 15 A I E > S-AB 18 64A 0 3,-3.3 3,-0.7 -2,-0.8 49,-0.2 -0.829 83.7 -30.6 -97.2 93.1 13.8 19.5 37.5 16 16 A E T 3 S- 0 0 108 47,-1.6 -1,-0.2 -2,-1.1 48,-0.1 0.871 130.1 -43.5 56.2 48.6 14.3 20.2 41.2 17 17 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.2 46,-0.2 47,-0.1 0.272 113.4 115.0 83.9 1.0 17.5 18.4 41.0 18 18 A Q E < S-A 15 0A 75 -3,-0.7 -3,-3.3 2,-0.0 2,-0.3 -0.891 70.9-124.4 -98.4 126.2 16.4 15.4 39.0 19 19 A P E -A 14 0A 87 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.579 38.6-177.0 -63.8 125.2 18.1 15.3 35.6 20 20 A V E -A 13 0A 12 -7,-3.9 -7,-2.9 -2,-0.3 2,-0.6 -0.986 23.9-135.2-128.1 137.1 15.1 15.2 33.2 21 21 A E E -A 12 0A 128 -2,-0.4 62,-0.3 -9,-0.3 2,-0.3 -0.871 36.1-179.4 -96.8 122.3 15.4 14.9 29.4 22 22 A V E -A 11 0A 2 -11,-3.2 -11,-3.0 -2,-0.6 2,-0.5 -0.834 28.7-128.4-126.8 162.0 13.0 17.4 27.7 23 23 A L E -Ac 10 84A 3 60,-1.7 62,-2.3 -2,-0.3 2,-1.1 -0.942 23.2-131.3-112.0 116.6 11.7 18.6 24.3 24 24 A L E - c 0 85A 9 -15,-2.6 2,-0.7 -2,-0.5 62,-0.1 -0.598 32.5-175.8 -72.8 97.4 11.7 22.3 23.6 25 25 A D > - 0 0 6 60,-1.2 2,-1.0 -2,-1.1 3,-0.8 -0.855 20.5-179.8-104.9 93.6 8.2 22.8 22.2 26 26 A T T 3 S+ 0 0 0 -2,-0.7 60,-0.1 1,-0.2 3,-0.1 -0.328 82.4 60.3 -88.4 48.1 7.3 26.2 20.9 27 27 A G T 3 S+ 0 0 2 -2,-1.0 2,-0.3 98,-0.2 -1,-0.2 -0.114 88.2 87.2-166.0 28.8 3.7 25.1 20.1 28 28 A A < - 0 0 0 -3,-0.8 59,-3.5 57,-0.1 60,-0.2 -0.992 61.1-156.8-137.9 125.3 2.8 24.1 23.6 29 29 A D S S+ 0 0 33 172,-1.6 59,-0.4 -2,-0.3 2,-0.2 0.819 76.9 38.1 -74.5 -34.9 1.4 26.6 26.0 30 30 A D S S- 0 0 45 57,-0.1 2,-0.5 171,-0.1 -5,-0.1 -0.660 76.9-111.9-118.8 176.0 2.5 24.5 29.0 31 31 A S + 0 0 0 43,-0.4 45,-1.9 -2,-0.2 2,-0.5 -0.916 30.6 179.8-106.0 113.1 5.2 22.3 30.5 32 32 A I E +dE 76 84A 0 52,-0.8 52,-1.9 -2,-0.5 2,-0.4 -0.938 1.7 176.6-124.5 107.1 4.3 18.6 31.0 33 33 A V E -d 77 0A 0 43,-2.4 45,-1.1 -2,-0.5 3,-0.3 -0.945 22.9-134.4-109.9 129.9 6.9 16.2 32.4 34 34 A A E +d 78 0A 31 -2,-0.4 45,-0.1 43,-0.2 49,-0.1 -0.559 68.5 3.9 -91.0 151.7 5.9 12.6 33.1 35 35 A G S S+ 0 0 76 43,-0.6 2,-0.3 -2,-0.2 -1,-0.2 0.871 83.8 129.4 37.6 73.0 6.6 10.5 36.1 36 36 A I - 0 0 18 -3,-0.3 2,-0.6 42,-0.0 -1,-0.2 -0.984 52.4-131.0-147.1 138.2 8.2 12.8 38.6 37 37 A E + 0 0 139 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.781 31.3 163.0 -91.7 122.7 7.4 13.5 42.2 38 38 A L - 0 0 29 -2,-0.6 2,-0.4 1,-0.3 3,-0.2 0.485 47.6-110.5-118.0 -5.9 7.2 17.2 43.1 39 39 A G - 0 0 25 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 -0.921 41.5 -53.0 126.1-152.0 5.3 17.1 46.4 40 40 A N S S+ 0 0 151 -2,-0.4 -1,-0.1 1,-0.1 19,-0.0 0.348 99.6 90.6-118.9 -1.5 2.0 18.0 47.8 41 41 A N + 0 0 158 -3,-0.2 19,-0.3 19,-0.1 -1,-0.1 -0.031 66.8 123.0 -88.0 24.4 1.5 21.7 46.8 42 42 A Y - 0 0 112 17,-0.1 17,-0.2 -3,-0.1 -2,-0.1 0.258 46.3-161.3 -68.9-164.0 -0.2 20.6 43.6 43 43 A S - 0 0 49 2,-0.0 15,-2.5 16,-0.0 13,-0.1 -0.509 32.4-110.2 173.2 107.9 -3.6 21.4 42.2 44 44 A P E +F 57 0A 88 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.162 42.9 175.9 -50.2 139.2 -5.2 19.2 39.5 45 45 A K E -F 56 0A 69 11,-3.5 11,-2.7 2,-0.0 2,-0.4 -0.760 25.6-122.0-135.1-179.8 -5.3 20.9 36.1 46 46 A I E -F 55 0A 112 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.999 21.6-167.9-132.6 127.2 -6.4 19.8 32.6 47 47 A V E -F 54 0A 5 7,-3.0 7,-3.6 -2,-0.4 2,-0.3 -0.924 8.6-148.5-119.1 144.0 -4.2 19.9 29.5 48 48 A G E +F 53 0A 6 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.792 22.6 163.1-107.6 147.7 -5.3 19.4 25.9 49 49 A G - 0 0 4 3,-3.3 102,-0.1 -2,-0.3 -21,-0.0 -0.582 53.9 -73.6-143.4-159.6 -3.1 17.8 23.2 50 50 A I S S+ 0 0 33 -2,-0.2 101,-0.2 1,-0.2 103,-0.1 0.902 127.1 38.4 -75.3 -48.4 -3.7 16.4 19.7 51 51 A G S S- 0 0 25 99,-1.1 2,-0.3 101,-0.4 100,-0.3 0.551 127.1 -71.0 -79.8 -13.1 -5.3 13.1 20.7 52 52 A G - 0 0 23 98,-1.0 -3,-3.3 100,-0.2 2,-0.4 -0.994 63.7 -43.0 160.8-153.4 -7.3 14.5 23.6 53 53 A F E -F 48 0A 139 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.3 -0.947 41.8-162.0-118.5 131.0 -7.3 16.0 27.1 54 54 A I E -F 47 0A 19 -7,-3.6 -7,-3.0 -2,-0.4 2,-0.4 -0.915 19.8-123.3-119.6 148.6 -5.2 14.6 30.0 55 55 A N E -F 46 0A 133 -2,-0.4 24,-0.4 -9,-0.2 2,-0.3 -0.743 37.0-179.0 -86.6 137.8 -5.6 15.3 33.7 56 56 A T E -F 45 0A 7 -11,-2.7 -11,-3.5 -2,-0.4 2,-0.5 -0.838 31.3-124.4-136.0 167.3 -2.6 16.7 35.4 57 57 A L E -FG 44 77A 59 20,-1.1 20,-1.7 -13,-0.3 2,-0.3 -0.987 34.8-138.3-115.6 105.2 -1.4 17.8 38.9 58 58 A E E - G 0 76A 26 -15,-2.5 2,-0.4 -2,-0.5 18,-0.2 -0.561 20.0-175.3 -79.9 128.3 -0.1 21.4 38.7 59 59 A Y E - G 0 75A 10 16,-2.4 16,-2.4 -2,-0.3 2,-0.3 -0.995 11.8-157.2-127.3 121.8 3.1 22.6 40.5 60 60 A K E + 0 0 143 -2,-0.4 14,-0.2 -19,-0.3 13,-0.1 -0.716 65.5 14.2-107.6 150.9 4.0 26.3 40.5 61 61 A N E S+ 0 0 100 -2,-0.3 13,-0.2 1,-0.2 -1,-0.2 0.677 78.4 172.6 58.1 26.0 7.2 28.1 40.9 62 62 A V E - G 0 73A 7 11,-1.0 11,-1.4 -3,-0.2 2,-0.6 -0.295 37.2-112.6 -62.5 141.8 9.2 24.9 40.5 63 63 A E E + G 0 72A 39 9,-0.2 -47,-1.6 7,-0.1 2,-0.4 -0.738 42.1 179.2 -85.9 117.7 13.0 25.4 40.4 64 64 A I E -BG 15 71A 5 7,-3.4 7,-2.9 -2,-0.6 2,-0.4 -0.974 18.6-169.3-127.6 139.6 14.3 24.6 36.9 65 65 A E E +BG 14 70A 86 -51,-1.3 -51,-2.3 -2,-0.4 2,-0.3 -0.995 24.6 151.5-128.3 114.0 17.8 24.7 35.5 66 66 A V E > +BG 13 69A 4 3,-1.8 3,-1.5 -2,-0.4 -53,-0.1 -0.997 63.4 6.4-146.7 144.2 18.2 24.3 31.7 67 67 A L T 3 S- 0 0 71 -55,-0.5 -1,-0.1 -2,-0.3 3,-0.1 0.918 133.0 -57.3 45.3 46.3 20.6 25.5 29.1 68 68 A N T 3 S+ 0 0 156 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.743 112.6 121.2 57.8 31.1 22.6 26.8 32.0 69 69 A K E < - G 0 66A 48 -3,-1.5 -3,-1.8 2,-0.0 2,-0.5 -0.939 55.3-145.3-125.3 142.5 19.8 29.0 33.3 70 70 A K E + G 0 65A 104 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.942 36.6 154.0-106.0 130.2 18.1 29.0 36.6 71 71 A V E - G 0 64A 27 -7,-2.9 -7,-3.4 -2,-0.5 2,-0.5 -0.907 36.0-141.6-154.8 150.2 14.4 29.8 36.2 72 72 A R E + G 0 63A 167 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.985 36.5 154.3-124.5 111.8 11.3 28.9 38.3 73 73 A A E - G 0 62A 12 -11,-1.4 -11,-1.0 -2,-0.5 2,-0.4 -0.861 49.8 -80.0-134.7 166.3 8.2 28.1 36.2 74 74 A T E - 0 0 37 -2,-0.3 -43,-0.4 -13,-0.2 2,-0.4 -0.574 44.3-164.0 -73.7 122.6 5.0 26.1 36.5 75 75 A I E - G 0 59A 0 -16,-2.4 -16,-2.4 -2,-0.4 2,-0.4 -0.873 3.7-155.5-109.3 138.4 5.6 22.4 35.9 76 76 A M E -dG 32 58A 9 -45,-1.9 -43,-2.4 -2,-0.4 2,-0.3 -0.978 7.4-149.1-116.1 127.7 2.7 20.0 35.1 77 77 A T E +dG 33 57A 17 -20,-1.7 -20,-1.1 -2,-0.4 2,-0.3 -0.735 39.7 96.7 -99.3 145.4 3.0 16.3 35.8 78 78 A G E S-d 34 0A 23 -45,-1.1 2,-0.8 -2,-0.3 -43,-0.6 -0.971 74.5 -41.8 176.7-162.8 1.3 13.7 33.8 79 79 A D + 0 0 134 -24,-0.4 72,-0.3 -2,-0.3 -45,-0.1 -0.420 63.1 152.2 -95.7 53.3 0.9 11.1 31.1 80 80 A T - 0 0 9 -2,-0.8 3,-0.1 1,-0.1 70,-0.1 -0.701 47.0-139.5 -85.4 143.1 2.7 12.9 28.3 81 81 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.702 92.6 20.5 -70.1 -19.7 4.2 10.4 25.8 82 82 A I S S- 0 0 66 -50,-0.1 2,-0.2 -59,-0.0 -50,-0.1 -0.982 89.6-107.9-151.9 136.8 7.2 12.8 25.9 83 83 A N - 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