==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ASPARTIC PROTEINASE) 31-MAR-95 1HII . COMPND 2 MOLECULE: HIV-2 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 2; . AUTHOR J.P.PRIESTLE,M.G.GRUETTER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.4 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 . 30 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 5.1 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 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 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 . 2 2 3 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 90 0, 0.0 198,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.0 37.6 23.6 11.2 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.956 360.0-156.3-119.8 135.0 36.0 24.3 14.6 3 3 A F E -A 197 0A 39 194,-2.6 194,-2.1 -2,-0.4 5,-0.0 -0.976 0.8-163.3-111.4 118.8 33.5 27.1 15.2 4 4 A S - 0 0 59 -2,-0.6 -1,-0.1 192,-0.2 190,-0.1 0.600 29.0-133.2 -74.1 -18.7 33.4 28.2 18.9 5 5 A L S S+ 0 0 2 2,-0.2 186,-0.2 192,-0.1 185,-0.1 0.473 75.1 117.4 77.7 5.9 30.1 30.0 18.5 6 6 A W S S+ 0 0 163 185,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.772 87.0 31.6 -70.7 -24.7 31.2 33.1 20.3 7 7 A K S S- 0 0 163 180,-0.0 -2,-0.2 3,-0.0 0, 0.0 -0.843 113.4 -78.9-122.8 162.7 30.6 34.8 17.0 8 8 A R - 0 0 106 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.431 48.3-117.7 -59.8 127.8 28.0 34.0 14.3 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.517 54.3 161.7 -74.0 82.5 29.4 30.9 12.3 10 10 A V E +D 23 0B 58 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.879 9.8 164.9-109.4 133.6 29.6 32.7 9.0 11 11 A V E -D 22 0B 20 11,-2.3 11,-2.9 -2,-0.4 2,-0.5 -0.867 38.9 -99.9-137.2 171.4 31.7 31.5 5.9 12 12 A T E -D 21 0B 59 -2,-0.3 55,-0.6 9,-0.2 2,-0.3 -0.828 39.9-175.9 -98.0 130.3 31.9 32.3 2.2 13 13 A A E -DE 20 66B 0 7,-3.4 7,-3.2 -2,-0.5 2,-0.5 -0.888 21.0-137.9-123.7 158.0 30.2 29.8 -0.1 14 14 A Y E -DE 19 65B 100 51,-3.0 51,-2.9 -2,-0.3 2,-0.7 -0.977 14.6-171.7-118.7 115.9 29.9 29.5 -3.9 15 15 A I E > S-DE 18 64B 0 3,-2.4 3,-1.8 -2,-0.5 49,-0.2 -0.942 82.4 -24.5-110.1 103.4 26.5 28.6 -5.3 16 16 A E T 3 S- 0 0 86 47,-2.3 -1,-0.2 -2,-0.7 48,-0.1 0.910 129.4 -50.0 57.9 42.2 27.0 28.0 -9.0 17 17 A G T 3 S+ 0 0 45 46,-0.2 -1,-0.3 1,-0.2 47,-0.1 0.109 111.4 122.6 86.9 -21.2 30.0 30.2 -8.9 18 18 A Q E < -D 15 0B 60 -3,-1.8 -3,-2.4 1,-0.1 2,-0.2 -0.635 60.5-131.6 -82.6 120.9 28.4 33.1 -7.2 19 19 A P E +D 14 0B 90 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.494 34.0 170.2 -69.9 131.8 30.2 34.0 -3.8 20 20 A V E -D 13 0B 12 -7,-3.2 -7,-3.4 -2,-0.2 2,-0.6 -0.978 34.2-127.7-145.1 146.2 27.8 34.4 -0.9 21 21 A E E -D 12 0B 105 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.903 38.3-176.0 -95.7 123.5 28.3 34.8 2.9 22 22 A V E -D 11 0B 1 -11,-2.9 -11,-2.3 -2,-0.6 2,-0.5 -0.940 26.5-128.4-125.3 154.0 26.2 32.2 4.7 23 23 A L E -Df 10 84B 4 60,-3.3 62,-2.5 -2,-0.3 2,-1.0 -0.818 24.1-131.0 -97.4 128.0 25.4 31.4 8.3 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.711 34.9-168.8 -82.0 110.4 25.9 27.7 9.2 25 25 A D > + 0 0 15 60,-2.4 3,-1.0 -2,-1.0 62,-0.3 -0.846 31.5 178.7-117.6 110.1 22.6 26.9 10.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.671 87.1 60.9 -75.7 -16.9 21.8 23.8 13.0 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.066 90.4 84.1 -97.6 21.1 18.2 25.2 13.7 28 28 A A < - 0 0 17 -3,-1.0 59,-3.1 1,-0.1 60,-0.2 -0.994 55.8-165.2-124.3 128.7 17.3 25.3 10.0 29 29 A D S S+ 0 0 59 -2,-0.4 59,-1.0 57,-0.2 2,-0.2 0.866 80.1 34.8 -74.0 -35.7 15.9 22.3 8.0 30 30 A D S S- 0 0 64 57,-0.1 2,-0.4 58,-0.1 57,-0.1 -0.592 78.6-117.5-116.6 174.2 16.5 24.1 4.7 31 31 A S - 0 0 0 43,-0.4 45,-1.8 54,-0.2 2,-0.4 -0.921 28.6-175.9-113.4 131.4 19.0 26.6 3.1 32 32 A I E -gH 76 84B 10 52,-1.6 52,-2.7 -2,-0.4 2,-0.3 -0.999 0.8-176.5-134.8 131.8 17.7 29.9 1.9 33 33 A V E -g 77 0B 0 43,-3.1 45,-1.5 -2,-0.4 2,-0.3 -0.961 10.3-151.9-130.1 145.9 19.7 32.6 0.1 34 34 A A + 0 0 28 -2,-0.3 45,-0.1 43,-0.2 3,-0.1 -0.737 70.0 27.9-112.5 156.7 18.9 36.1 -1.1 35 35 A G S S+ 0 0 86 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.596 86.8 108.6 75.2 10.1 20.3 38.0 -4.0 36 36 A I - 0 0 16 -3,-0.2 2,-0.5 -18,-0.0 -1,-0.2 -0.937 58.0-137.1-122.5 148.8 21.3 35.3 -6.5 37 37 A E + 0 0 162 -2,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.901 25.7 167.2-103.2 125.9 19.7 34.2 -9.8 38 38 A L - 0 0 37 -2,-0.5 3,-0.3 1,-0.3 2,-0.2 0.441 40.4-121.2-116.7 -2.5 19.3 30.5 -10.4 39 39 A G - 0 0 47 1,-0.2 -1,-0.3 20,-0.0 3,-0.0 -0.560 41.5 -46.3 105.5-162.1 17.0 30.2 -13.4 40 40 A N S S+ 0 0 137 -2,-0.2 2,-1.9 1,-0.1 -1,-0.2 0.553 96.0 95.7 -98.7 -9.4 13.7 28.7 -14.3 41 41 A N + 0 0 147 -3,-0.3 19,-0.5 19,-0.0 2,-0.3 -0.408 64.9 109.7 -84.3 70.0 13.9 25.1 -12.8 42 42 A Y E -I 59 0B 82 -2,-1.9 17,-0.2 17,-0.1 34,-0.0 -0.934 54.3-148.3-140.2 160.6 12.1 25.8 -9.6 43 43 A S E -I 58 0B 52 15,-1.4 15,-3.3 -2,-0.3 2,-0.2 -0.909 36.2-107.7-124.7 143.1 8.9 25.2 -7.7 44 44 A P E -I 57 0B 104 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.574 42.0-176.2 -71.2 143.7 7.4 27.8 -5.3 45 45 A K E -I 56 0B 97 11,-2.3 11,-2.2 -2,-0.2 2,-0.4 -0.969 22.5-133.9-142.0 152.3 7.7 26.8 -1.6 46 46 A I E -I 55 0B 101 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.907 22.1-170.4-107.3 135.2 6.5 28.3 1.7 47 47 A V E -I 54 0B 23 7,-2.6 7,-2.2 -2,-0.4 2,-0.4 -0.988 7.3-150.4-128.7 136.0 9.0 28.4 4.5 48 48 A G E +I 53 0B 45 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.892 21.6 158.9-109.6 142.6 8.2 29.2 8.1 49 49 A G - 0 0 29 3,-2.9 3,-0.3 -2,-0.4 102,-0.1 -0.463 57.8 -59.3-132.9-152.5 10.4 30.8 10.7 50 50 A I S S+ 0 0 36 1,-0.2 101,-0.2 -2,-0.2 103,-0.1 0.875 129.2 36.1 -72.5 -35.1 10.0 32.8 14.0 51 51 A G S S- 0 0 29 99,-2.5 2,-0.3 101,-0.3 102,-0.2 0.546 124.5 -75.1 -97.4 0.5 8.0 35.7 12.7 52 52 A G - 0 0 26 98,-0.5 -3,-2.9 -3,-0.3 2,-0.2 -0.984 64.4 -43.4 144.6-157.0 5.8 33.9 10.2 53 53 A F E -I 48 0B 158 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.681 38.9-167.6-112.3 162.0 6.1 32.4 6.7 54 54 A I E -I 47 0B 30 -7,-2.2 -7,-2.6 -2,-0.2 2,-0.2 -0.983 23.5-116.1-145.9 151.4 7.7 33.6 3.4 55 55 A N E +I 46 0B 122 -2,-0.3 24,-0.4 -9,-0.2 2,-0.3 -0.606 37.6 173.2 -84.6 149.9 7.5 32.4 -0.2 56 56 A T E -I 45 0B 6 -11,-2.2 -11,-2.3 -2,-0.2 2,-0.5 -0.914 34.2-117.5-148.6 168.5 10.6 31.1 -1.8 57 57 A K E -IJ 44 77B 84 20,-2.0 20,-2.2 -2,-0.3 2,-0.7 -0.977 30.5-144.7-113.3 124.4 11.7 29.5 -5.1 58 58 A E E -IJ 43 76B 16 -15,-3.3 -15,-1.4 -2,-0.5 2,-0.5 -0.855 15.9-173.5 -98.7 115.6 13.0 26.0 -4.5 59 59 A Y E -IJ 42 75B 13 16,-2.9 16,-2.6 -2,-0.7 3,-0.4 -0.899 11.4-153.2-104.6 127.0 15.9 24.9 -6.7 60 60 A K E + 0 0 122 -19,-0.5 14,-0.2 -2,-0.5 13,-0.1 -0.674 68.4 18.5-101.8 152.1 17.0 21.3 -6.4 61 61 A N E S+ 0 0 108 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.821 75.8 171.3 63.3 40.5 20.5 19.9 -7.1 62 62 A V E - J 0 73B 6 11,-2.4 11,-2.2 -3,-0.4 2,-0.5 -0.600 36.3-117.8 -83.8 135.8 22.4 23.2 -7.0 63 63 A E E - J 0 72B 42 -2,-0.3 -47,-2.3 9,-0.2 2,-0.4 -0.651 37.7-174.8 -77.0 125.5 26.2 22.9 -7.1 64 64 A I E -EJ 15 71B 0 7,-3.7 7,-2.7 -2,-0.5 2,-0.5 -0.957 17.6-166.8-128.6 132.7 27.7 24.3 -3.9 65 65 A E E +EJ 14 70B 77 -51,-2.9 -51,-3.0 -2,-0.4 2,-0.3 -0.981 27.2 148.4-117.2 118.7 31.3 24.9 -2.9 66 66 A V E > +EJ 13 69B 2 3,-2.6 3,-2.6 -2,-0.5 -53,-0.1 -0.974 63.9 0.5-153.0 138.9 31.9 25.6 0.7 67 67 A L T 3 S- 0 0 43 -55,-0.6 3,-0.1 -2,-0.3 -54,-0.1 0.848 127.7 -59.2 50.1 43.1 34.7 24.9 3.1 68 68 A N T 3 S+ 0 0 174 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.594 116.0 114.2 64.1 11.8 36.7 23.2 0.3 69 69 A K E < - J 0 66B 90 -3,-2.6 -3,-2.6 2,-0.0 2,-0.5 -0.869 55.8-148.0-112.2 150.0 33.9 20.7 -0.2 70 70 A K E + J 0 65B 143 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.980 26.4 162.4-120.0 124.0 31.7 20.4 -3.2 71 71 A V E - J 0 64B 21 -7,-2.7 -7,-3.7 -2,-0.5 2,-0.5 -0.914 35.0-136.0-137.9 158.1 28.0 19.3 -2.9 72 72 A R E + J 0 63B 141 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.985 44.7 151.0-112.9 126.1 24.8 19.3 -4.9 73 73 A A E - 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0 0 0 -2,-0.6 4,-2.0 -62,-0.2 3,-1.3 -0.026 42.7 -65.2 -84.4-163.5 20.7 24.6 7.1 87 87 A R H 3> S+ 0 0 29 -59,-3.1 4,-2.5 -62,-0.3 5,-0.4 0.741 122.2 68.4 -60.2 -29.3 21.0 20.9 7.9 88 88 A N H 3> S+ 0 0 46 -59,-1.0 4,-0.6 1,-0.2 -1,-0.3 0.866 113.9 32.9 -61.2 -28.5 20.5 19.6 4.3 89 89 A I H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.864 114.8 56.3 -93.6 -40.0 23.9 21.2 3.6 90 90 A L H X>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 4,-1.2 0.873 109.0 47.5 -59.2 -41.3 25.6 20.6 7.0 91 91 A T H <5S+ 0 0 20 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.865 108.3 55.3 -68.6 -36.4 25.0 16.8 6.9 92 92 A A H <5S+ 0 0 55 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.2 0.878 109.0 48.8 -63.6 -33.8 26.3 16.7 3.3 93 93 A L H <5S- 0 0 5 -4,-1.8 -1,-0.2 -24,-0.1 -2,-0.2 0.793 114.5-119.2 -76.3 -24.6 29.4 18.3 4.6 94 94 A G T <5 + 0 0 54 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.754 58.4 157.3 88.5 31.0 29.8 15.9 7.4 95 95 A M < - 0 0 2 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.626 17.9-173.6 -92.4 144.4 29.5 18.7 10.0 96 96 A S E -B 198 0A 14 102,-2.4 102,-2.8 -2,-0.3 2,-0.5 -0.906 27.4-123.0-134.6 165.6 28.4 18.0 13.6 97 97 A L E -BC 197 103A 0 6,-2.5 6,-2.9 -2,-0.3 2,-0.4 -0.958 36.0-158.9-108.5 123.1 27.5 19.8 16.7 98 98 A N E BC 196 102A 30 98,-3.0 98,-1.8 -2,-0.5 4,-0.2 -0.882 360.0 360.0-115.1 137.7 29.7 18.6 19.6 99 99 A L 0 0 59 2,-2.6 3,-0.2 -2,-0.4 -1,-0.1 0.640 360.0 360.0-117.1 360.0 29.3 18.7 23.4 100 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 1 B P 0 0 101 0, 0.0 -2,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 157.2 28.5 13.5 22.7 102 2 B Q E -C 98 0A 130 -4,-0.2 2,-0.6 -3,-0.2 -4,-0.2 -0.853 360.0-145.4-122.9 156.6 27.6 14.6 19.2 103 3 B F E -C 97 0A 37 -6,-2.9 -6,-2.5 -2,-0.3 5,-0.0 -0.971 10.3-165.0-110.9 115.3 24.7 15.6 17.1 104 4 B S - 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