==== 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 19-OCT-94 1IDB . COMPND 2 MOLECULE: HIV-2 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 2; . AUTHOR L.TONG,P.C.ANDERSON . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.3 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 . 73 36.7 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 . 25 12.6 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 . 10 5.0 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 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 1 4 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 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 97 0, 0.0 198,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.2 63.4 43.2 3.1 2 2 A Q E -A 198 0A 134 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.998 360.0-159.5-134.0 129.7 64.1 40.6 5.7 3 3 A F E -A 197 0A 40 194,-3.0 194,-1.7 -2,-0.4 2,-0.1 -0.959 6.9-152.7-113.1 119.9 61.5 38.5 7.5 4 4 A S E > -A 196 0A 84 -2,-0.5 3,-0.5 192,-0.2 192,-0.2 -0.481 24.3-125.8 -78.9 158.3 62.4 36.9 10.8 5 5 A L T 3 S+ 0 0 2 190,-0.6 186,-0.2 1,-0.2 -1,-0.1 0.218 83.9 102.5 -97.9 31.7 60.4 33.9 11.3 6 6 A W T 3 S+ 0 0 192 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.931 91.5 32.2 -70.1 -42.8 58.9 34.7 14.7 7 7 A K S < S- 0 0 152 -3,-0.5 0, 0.0 1,-0.1 0, 0.0 -0.721 108.4 -88.3-103.3 161.7 55.6 35.7 13.0 8 8 A R - 0 0 100 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.456 44.3-114.9 -64.0 139.3 54.3 34.0 9.8 9 9 A P + 0 0 2 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.528 55.6 160.2 -84.8 79.1 55.7 35.9 6.8 10 10 A V E +D 23 0B 56 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.826 8.6 167.2-102.6 132.0 52.4 37.3 5.5 11 11 A V E -D 22 0B 21 11,-2.2 11,-3.4 -2,-0.3 2,-0.5 -0.906 37.3 -98.4-136.0 170.9 52.2 40.3 3.1 12 12 A T E +D 21 0B 63 -2,-0.3 55,-0.6 9,-0.2 2,-0.3 -0.826 40.5 176.8 -97.9 126.7 49.8 42.1 0.8 13 13 A A E -DE 20 66B 0 7,-2.0 7,-2.2 -2,-0.5 2,-0.6 -0.879 26.5-131.8-120.4 156.9 50.0 41.3 -2.9 14 14 A Y E -DE 19 65B 108 51,-3.8 51,-2.4 -2,-0.3 2,-0.6 -0.953 17.9-167.6-111.4 120.0 47.9 42.5 -5.8 15 15 A I E > S-DE 18 64B 0 3,-2.8 3,-2.0 -2,-0.6 49,-0.2 -0.956 80.7 -24.7-109.6 108.1 46.7 39.7 -8.1 16 16 A E T 3 S- 0 0 85 47,-3.5 -1,-0.2 -2,-0.6 48,-0.1 0.920 131.2 -47.5 53.8 46.2 45.3 41.2 -11.3 17 17 A G T 3 S+ 0 0 50 46,-0.3 -1,-0.3 1,-0.2 47,-0.1 0.033 114.3 117.5 85.9 -23.2 44.6 44.3 -9.3 18 18 A Q E < -D 15 0B 66 -3,-2.0 -3,-2.8 1,-0.1 2,-0.3 -0.713 61.8-128.6 -84.6 125.6 43.0 42.7 -6.3 19 19 A P E +D 14 0B 85 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.475 34.9 166.2 -75.9 132.7 44.5 42.9 -2.8 20 20 A V E -D 13 0B 17 -7,-2.2 -7,-2.0 -2,-0.3 2,-0.5 -0.949 36.9-121.7-140.9 151.2 44.9 39.6 -1.0 21 21 A E E -D 12 0B 103 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.900 40.3-173.6 -95.3 126.6 47.0 38.7 2.1 22 22 A V E -D 11 0B 1 -11,-3.4 -11,-2.2 -2,-0.5 2,-0.5 -0.919 24.1-130.3-127.1 160.1 49.5 35.9 1.3 23 23 A L E -Df 10 84B 1 60,-3.0 62,-2.4 -2,-0.3 2,-0.8 -0.865 20.5-133.2-103.7 128.5 51.9 33.7 3.1 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.5 -2,-0.5 62,-0.2 -0.780 33.8-175.2 -83.5 109.7 55.5 33.5 1.7 25 25 A D > - 0 0 0 60,-2.5 3,-1.0 -2,-0.8 62,-0.3 -0.895 28.2-177.2-118.9 104.3 56.1 29.6 1.7 26 26 A T T 3 S+ 0 0 0 -2,-0.5 98,-0.1 1,-0.2 -1,-0.1 0.618 89.3 58.5 -72.6 -11.2 59.4 28.0 0.8 27 27 A G T 3 S+ 0 0 16 81,-0.1 2,-0.6 96,-0.1 -1,-0.2 0.522 87.1 85.5 -98.5 -3.6 57.8 24.6 1.3 28 28 A A < - 0 0 15 -3,-1.0 59,-3.5 57,-0.2 60,-0.2 -0.886 58.7-165.0 -97.7 125.2 55.1 25.1 -1.3 29 29 A D S S+ 0 0 53 -2,-0.6 59,-0.7 57,-0.2 2,-0.2 0.852 77.1 24.2 -72.3 -37.2 56.2 24.2 -4.9 30 30 A D S S- 0 0 84 57,-0.2 2,-0.4 58,-0.1 57,-0.2 -0.537 84.9-105.3-121.1-178.7 53.2 26.1 -6.4 31 31 A S - 0 0 1 43,-0.3 45,-2.2 -2,-0.2 2,-0.4 -0.912 26.3-175.7-122.1 139.3 50.9 28.9 -5.4 32 32 A I E +gH 76 84B 12 52,-1.7 52,-3.0 -2,-0.4 2,-0.3 -0.993 2.5 178.4-142.9 130.0 47.3 28.8 -4.4 33 33 A V E -g 77 0B 0 43,-2.0 45,-2.1 -2,-0.4 2,-0.3 -0.911 9.6-156.7-128.2 144.5 44.9 31.6 -3.6 34 34 A A + 0 0 30 -2,-0.3 45,-0.1 43,-0.2 3,-0.1 -0.884 65.8 35.6-121.3 157.9 41.3 31.6 -2.6 35 35 A G S S+ 0 0 82 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.662 88.7 101.0 84.5 13.2 38.5 34.2 -2.9 36 36 A I - 0 0 11 -3,-0.2 2,-0.6 -18,-0.0 -1,-0.2 -0.987 63.1-137.8-132.5 145.6 39.4 35.7 -6.2 37 37 A E + 0 0 160 -2,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.910 21.0 179.1-100.1 113.8 38.0 35.1 -9.7 38 38 A L - 0 0 31 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.801 44.3 -94.2 -88.6 -29.4 40.8 35.0 -12.2 39 39 A G - 0 0 44 1,-0.1 -1,-0.3 20,-0.0 3,-0.0 -0.915 40.5 -69.4 144.9-168.0 38.9 34.4 -15.4 40 40 A N S S+ 0 0 141 -2,-0.3 2,-1.9 1,-0.1 -1,-0.1 0.542 96.2 96.7 -96.5 -11.9 37.8 31.5 -17.7 41 41 A N + 0 0 147 -3,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.526 59.1 120.6 -86.9 85.3 41.0 30.5 -18.9 42 42 A Y - 0 0 99 -2,-1.9 17,-0.2 17,-0.1 15,-0.0 -0.942 48.7-146.3-142.1 165.8 41.9 27.6 -16.7 43 43 A S E -I 58 0B 41 15,-1.0 15,-3.5 -2,-0.3 2,-0.4 -0.889 35.1-117.4-120.6 141.9 42.9 23.9 -16.5 44 44 A P E -I 57 0B 96 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.785 36.1-174.2 -88.8 132.4 41.8 22.0 -13.5 45 45 A K E -I 56 0B 92 11,-1.7 11,-3.3 -2,-0.4 2,-0.4 -0.836 21.6-130.3-118.6 159.8 44.6 20.6 -11.5 46 46 A I E -I 55 0B 105 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.870 25.6-163.2-106.4 137.2 44.9 18.2 -8.4 47 47 A V E -I 54 0B 33 7,-2.5 7,-3.0 -2,-0.4 2,-0.3 -0.977 6.3-148.0-140.5 129.4 47.0 19.4 -5.5 48 48 A G E +I 53 0B 41 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.695 24.2 157.6 -95.3 129.0 48.4 17.5 -2.5 49 49 A G - 0 0 13 3,-2.4 102,-0.1 -2,-0.3 100,-0.0 -0.635 58.5 -70.0-132.4-165.8 49.0 18.8 0.9 50 50 A I S S+ 0 0 14 151,-0.6 101,-0.1 -2,-0.2 103,-0.1 0.859 127.2 37.0 -61.2 -43.5 49.3 17.4 4.3 51 51 A G S S- 0 0 29 99,-1.9 2,-0.3 101,-0.3 100,-0.3 0.798 122.8 -72.5 -83.1 -35.4 45.7 16.3 4.7 52 52 A G - 0 0 22 98,-1.5 -3,-2.4 100,-0.2 2,-0.3 -0.902 65.9 -38.1 173.6-147.0 44.9 15.1 1.3 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.849 39.7-163.7-114.4 151.7 44.1 16.3 -2.2 54 54 A I E -I 47 0B 15 -7,-3.0 -7,-2.5 -2,-0.3 2,-0.4 -0.948 20.3-125.5-130.1 151.5 42.3 19.3 -3.6 55 55 A N E +I 46 0B 131 -2,-0.3 24,-0.5 -9,-0.2 2,-0.3 -0.791 39.3 173.8 -86.4 139.6 40.8 20.2 -6.9 56 56 A T E -IJ 45 78B 6 -11,-3.3 -11,-1.7 -2,-0.4 2,-0.5 -0.856 32.7-121.2-138.2 171.2 42.1 23.6 -8.2 57 57 A K E -IJ 44 77B 83 20,-1.9 20,-2.1 -2,-0.3 2,-0.4 -0.979 27.6-145.0-116.1 119.7 41.9 25.9 -11.3 58 58 A E E -IJ 43 76B 38 -15,-3.5 -15,-1.0 -2,-0.5 2,-0.4 -0.736 14.0-171.3 -90.6 129.1 45.3 26.7 -12.8 59 59 A Y E - J 0 75B 14 16,-2.1 16,-1.7 -2,-0.4 3,-0.3 -0.927 8.8-153.9-117.3 132.7 45.9 30.2 -14.4 60 60 A K E S+ 0 0 97 -2,-0.4 14,-0.1 -19,-0.4 13,-0.1 -0.739 71.4 16.1-106.8 157.0 49.0 30.9 -16.3 61 61 A N E S+ 0 0 109 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.760 76.7 170.2 48.8 42.4 50.6 34.4 -16.8 62 62 A V E - J 0 73B 4 11,-1.9 11,-2.8 -3,-0.3 2,-0.6 -0.615 33.9-121.9 -79.5 134.3 48.7 36.0 -13.9 63 63 A E E - J 0 72B 36 -2,-0.3 -47,-3.5 9,-0.3 2,-0.4 -0.750 32.1-173.1 -89.4 122.1 50.0 39.5 -13.1 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-3.3 -2,-0.6 2,-0.5 -0.923 18.5-165.0-120.6 132.3 51.2 40.0 -9.6 65 65 A E E +EJ 14 70B 52 -51,-2.4 -51,-3.8 -2,-0.4 2,-0.3 -0.981 33.5 144.9-114.4 114.0 52.3 43.1 -7.7 66 66 A V E > +EJ 13 69B 4 3,-2.9 3,-3.5 -2,-0.5 -53,-0.1 -0.985 60.2 0.4-151.8 144.8 54.1 42.1 -4.4 67 67 A L T 3 S- 0 0 40 -55,-0.6 3,-0.1 1,-0.3 -54,-0.1 0.823 128.0 -58.7 44.8 36.9 57.0 43.4 -2.3 68 68 A N T 3 S+ 0 0 170 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.486 117.6 104.8 76.1 2.4 57.4 46.2 -4.8 69 69 A K E < - J 0 66B 85 -3,-3.5 -3,-2.9 2,-0.0 2,-0.4 -0.803 60.1-143.2-109.9 157.8 58.0 43.9 -7.7 70 70 A K E + J 0 65B 131 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.967 28.4 167.0-117.5 126.1 55.7 43.0 -10.5 71 71 A V E - J 0 64B 20 -7,-3.3 -7,-2.6 -2,-0.4 2,-0.4 -0.864 30.6-140.3-132.8 167.8 55.8 39.4 -11.8 72 72 A R E + J 0 63B 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.996 42.3 147.6-123.6 126.0 53.6 37.2 -14.1 73 73 A A E - J 0 62B 12 -11,-2.8 -11,-1.9 -2,-0.4 2,-0.4 -0.959 51.0 -77.9-151.7 175.6 53.4 33.7 -12.8 74 74 A T E - 0 0 42 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.3 -0.657 44.5-175.9 -82.9 131.9 51.2 30.7 -12.6 75 75 A I E - J 0 59B 0 -16,-1.7 -16,-2.1 -2,-0.4 2,-0.2 -0.996 10.9-154.6-128.0 128.1 48.5 30.9 -9.9 76 76 A M E -gJ 32 58B 6 -45,-2.2 -43,-2.0 -2,-0.4 2,-0.5 -0.612 10.9-143.3 -95.4 159.7 46.0 28.2 -8.9 77 77 A T E +gJ 33 57B 19 -20,-2.1 -20,-1.9 -2,-0.2 2,-0.3 -0.977 37.5 114.4-127.9 128.2 42.8 28.9 -7.4 78 78 A G E - J 0 56B 16 -45,-2.1 2,-2.2 -2,-0.5 -22,-0.1 -0.990 65.9 -45.8-170.6-177.1 41.1 26.8 -4.6 79 79 A D S S+ 0 0 143 -24,-0.5 72,-0.4 -2,-0.3 -45,-0.1 -0.468 70.6 152.5 -66.9 78.9 39.7 25.6 -1.3 80 80 A T - 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