==== 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 1IVP . 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) . 10047.0 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 . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.7 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 . 26 13.1 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 . 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 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 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 . 3 1 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 88 0, 0.0 198,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 144.0 22.9 26.1 22.3 2 2 A Q E -A 198 0A 141 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.514 360.0-142.5 -89.9 158.0 21.4 25.5 18.9 3 3 A F E -A 197 0A 31 194,-1.0 194,-0.9 -2,-0.2 2,-0.3 -0.963 3.3-153.7-137.7 116.5 18.9 22.8 18.3 4 4 A S - 0 0 77 -2,-0.4 3,-0.2 192,-0.2 192,-0.1 -0.677 9.0-150.2 -81.8 146.2 18.8 20.7 15.1 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 -2,-0.3 -1,-0.1 0.157 76.4 97.8-104.5 15.6 15.4 19.3 14.6 6 6 A W S S+ 0 0 191 184,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.840 94.7 31.5 -65.6 -33.5 16.7 16.2 12.8 7 7 A K S S- 0 0 66 -3,-0.2 0, 0.0 180,-0.0 0, 0.0 -0.783 111.5 -84.8-118.5 158.5 16.3 14.4 16.1 8 8 A R - 0 0 96 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.673 45.4-118.9 -67.7 125.2 13.7 15.2 18.7 9 9 A P + 0 0 3 0, 0.0 15,-1.4 0, 0.0 2,-0.4 -0.336 53.7 160.0 -66.5 55.0 15.0 18.0 20.8 10 10 A V E +D 23 0B 73 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.673 9.9 171.8 -83.4 125.1 15.1 16.0 24.1 11 11 A V E -D 22 0B 22 11,-2.6 11,-3.2 -2,-0.4 2,-0.5 -0.772 34.0-106.1-127.8 166.7 17.4 17.4 26.9 12 12 A T E -D 21 0B 114 -2,-0.3 55,-0.5 9,-0.3 9,-0.3 -0.884 35.2-171.6-102.5 129.3 17.6 16.3 30.5 13 13 A A E -DE 20 66B 2 7,-5.9 7,-3.7 -2,-0.5 2,-0.7 -0.824 23.2-135.2-120.3 160.2 16.2 18.4 33.4 14 14 A Y E -DE 19 65B 128 51,-2.7 2,-1.6 -2,-0.3 51,-1.6 -0.927 16.4-161.2-108.1 102.8 16.3 18.3 37.2 15 15 A I E > S-DE 18 64B 0 3,-3.9 3,-1.2 -2,-0.7 49,-0.2 -0.685 76.4 -40.4 -91.7 89.5 12.8 18.9 38.5 16 16 A E T 3 S- 0 0 103 -2,-1.6 2,-0.5 47,-0.6 -1,-0.3 0.988 124.9 -34.7 56.8 71.7 13.8 19.9 42.0 17 17 A G T 3 S+ 0 0 68 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.085 119.7 109.3 78.0 -31.9 16.5 17.4 42.6 18 18 A Q E < -D 15 0B 65 -3,-1.2 -3,-3.9 -2,-0.5 2,-0.2 -0.717 66.3-138.5 -81.7 114.0 14.6 14.8 40.5 19 19 A P E +D 14 0B 92 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.455 32.0 165.5 -72.1 139.7 16.4 14.2 37.2 20 20 A V E -D 13 0B 28 -7,-3.7 -7,-5.9 -2,-0.2 2,-0.5 -0.983 35.9-125.4-158.4 146.2 14.2 13.9 34.1 21 21 A E E -D 12 0B 45 -9,-0.3 62,-0.5 -2,-0.3 2,-0.3 -0.827 35.9-179.5 -95.1 128.8 14.4 13.9 30.3 22 22 A V E -D 11 0B 0 -11,-3.2 -11,-2.6 -2,-0.5 2,-0.5 -0.930 25.9-125.1-132.0 156.3 12.1 16.4 28.6 23 23 A L E -Df 10 84B 10 60,-2.9 62,-3.1 -2,-0.3 2,-1.0 -0.836 20.9-131.6-102.3 129.4 11.2 17.5 25.1 24 24 A L E - f 0 85B 2 -15,-1.4 2,-0.6 -2,-0.5 62,-0.2 -0.740 36.1-177.0 -78.5 102.7 11.5 21.2 24.2 25 25 A D > - 0 0 12 60,-2.3 3,-1.1 -2,-1.0 62,-0.3 -0.871 26.5-173.5-119.2 105.6 8.1 21.7 22.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.3 -1,-0.1 0.154 86.5 62.3 -73.3 10.7 7.2 25.1 20.9 27 27 A G T 3 S+ 0 0 24 81,-0.1 2,-0.4 3,-0.1 -1,-0.3 -0.027 85.6 88.5-129.3 24.5 3.6 23.8 20.3 28 28 A A < - 0 0 11 -3,-1.1 59,-3.4 1,-0.1 60,-0.1 -0.976 54.6-164.2-123.5 129.9 2.7 23.3 24.0 29 29 A D S S+ 0 0 67 -2,-0.4 59,-0.9 57,-0.2 2,-0.2 0.826 80.8 30.0 -84.4 -31.7 1.2 26.0 26.1 30 30 A D S S- 0 0 61 57,-0.1 2,-0.5 58,-0.1 57,-0.1 -0.755 77.0-114.3-128.1 167.9 2.2 23.9 29.2 31 31 A S - 0 0 1 43,-0.3 45,-2.2 -2,-0.2 2,-0.5 -0.894 24.3-172.8-108.8 127.4 4.6 21.4 30.7 32 32 A I E -gH 76 84B 7 52,-1.3 52,-2.1 -2,-0.5 2,-0.4 -0.993 3.5-179.9-127.2 120.6 3.5 17.9 31.6 33 33 A V E -g 77 0B 0 43,-1.4 45,-1.3 -2,-0.5 3,-0.2 -0.949 17.3-142.3-119.6 136.9 5.8 15.5 33.5 34 34 A A + 0 0 34 -2,-0.4 45,-0.1 43,-0.2 49,-0.0 -0.271 69.8 1.7 -84.8-179.2 4.8 12.0 34.4 35 35 A G S S+ 0 0 86 43,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.369 82.5 124.5 -5.8 76.2 5.7 10.3 37.7 36 36 A I - 0 0 15 -3,-0.2 2,-0.6 -16,-0.0 -3,-0.1 -0.900 60.0-118.4-135.5 150.7 7.8 12.8 39.8 37 37 A E + 0 0 129 -2,-0.3 -19,-0.1 1,-0.1 -2,-0.0 -0.926 41.5 157.6-108.4 118.7 6.7 13.7 43.3 38 38 A L - 0 0 32 -2,-0.6 2,-0.5 1,-0.1 3,-0.3 0.308 42.7-130.9-116.1 -4.5 5.9 17.4 43.8 39 39 A G - 0 0 34 1,-0.2 -1,-0.1 20,-0.0 3,-0.1 -0.794 38.1 -36.8 115.2-131.0 3.7 17.3 46.9 40 40 A N S S+ 0 0 133 -2,-0.5 2,-2.1 1,-0.1 -1,-0.2 0.614 92.7 91.0-130.8 -23.3 0.4 18.6 48.1 41 41 A N + 0 0 164 -3,-0.3 19,-0.5 19,-0.1 2,-0.3 -0.459 67.0 136.1 -82.5 66.3 -0.3 22.1 46.8 42 42 A Y - 0 0 122 -2,-2.1 17,-0.2 17,-0.1 34,-0.0 -0.783 41.2-165.7-118.4 158.5 -2.1 20.8 43.7 43 43 A S E -I 58 0B 35 15,-1.1 15,-3.5 -2,-0.3 2,-0.3 -0.993 31.0-119.1-138.1 127.4 -5.3 21.5 41.8 44 44 A P E +I 57 0B 103 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.643 39.3 170.7 -76.6 137.1 -6.6 19.1 39.3 45 45 A K E -I 56 0B 101 11,-2.4 11,-5.9 -2,-0.3 2,-0.4 -0.903 26.8-129.1-138.3 162.9 -6.8 20.4 35.7 46 46 A I E -I 55 0B 100 9,-0.3 2,-0.3 -2,-0.3 9,-0.3 -0.952 20.5-165.1-120.5 139.5 -7.5 18.8 32.3 47 47 A V E -I 54 0B 17 7,-2.0 7,-2.8 -2,-0.4 2,-0.3 -0.810 5.4-148.2-117.3 157.6 -5.3 19.3 29.2 48 48 A G E +I 53 0B 47 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.897 25.1 145.4-127.8 157.1 -5.9 18.7 25.5 49 49 A G E > -I 52 0B 37 3,-2.8 3,-0.5 101,-0.3 100,-0.1 -0.764 66.9 -47.3-167.1-164.9 -4.0 17.7 22.4 50 50 A I T 3 S+ 0 0 17 -2,-0.2 101,-0.2 1,-0.2 3,-0.1 0.715 130.3 42.6 -58.2 -37.3 -4.8 15.5 19.2 51 51 A G T 3 S- 0 0 29 99,-2.8 100,-0.4 101,-0.2 2,-0.3 0.717 122.2 -94.0 -82.9 -18.2 -6.4 12.3 20.7 52 52 A G E < -I 49 0B 25 98,-1.4 -3,-2.8 -3,-0.5 2,-0.3 -0.965 61.9 -25.7 154.3-135.2 -8.4 14.3 23.2 53 53 A F E -I 48 0B 153 -2,-0.3 -5,-0.3 -5,-0.3 2,-0.2 -0.974 41.4-161.7-123.6 135.7 -8.1 15.5 26.8 54 54 A I E -I 47 0B 34 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.4 -0.680 23.8-117.6-115.9 158.6 -6.1 14.2 29.9 55 55 A N E -I 46 0B 134 -9,-0.3 24,-0.5 -2,-0.2 -9,-0.3 -0.846 39.4-175.2 -96.9 138.4 -6.6 15.0 33.6 56 56 A T E -I 45 0B 8 -11,-5.9 -11,-2.4 -2,-0.4 2,-0.5 -0.824 29.3-128.1-134.5 170.9 -3.6 16.7 35.3 57 57 A L E -IJ 44 77B 38 20,-1.5 20,-3.2 -13,-0.3 2,-0.5 -0.978 27.9-148.8-120.8 104.3 -2.3 18.0 38.6 58 58 A E E +IJ 43 76B 33 -15,-3.5 -15,-1.1 -2,-0.5 2,-0.4 -0.706 17.7 178.4 -89.5 122.1 -1.2 21.6 38.5 59 59 A Y E - J 0 75B 24 16,-3.1 16,-3.2 -2,-0.5 3,-0.3 -0.933 17.3-140.1-119.4 141.4 1.6 22.7 40.8 60 60 A K E + 0 0 153 -19,-0.5 13,-0.1 -2,-0.4 14,-0.1 -0.557 65.6 0.3-106.2 165.5 3.0 26.2 40.8 61 61 A N E S+ 0 0 58 -2,-0.2 -1,-0.2 11,-0.2 13,-0.2 0.716 75.1 169.8 26.8 50.5 6.4 27.9 41.0 62 62 A V E - J 0 73B 6 11,-1.4 11,-2.2 -3,-0.3 2,-0.4 -0.547 38.0-110.1 -79.5 153.1 8.2 24.6 41.2 63 63 A E E + J 0 72B 65 9,-0.3 -47,-0.6 -2,-0.1 2,-0.4 -0.699 40.7 179.9 -89.9 136.6 12.0 25.0 40.9 64 64 A I E -EJ 15 71B 3 7,-4.6 7,-1.6 -2,-0.4 2,-0.5 -0.996 18.7-166.5-137.7 137.3 13.6 23.7 37.7 65 65 A E E +EJ 14 70B 80 -51,-1.6 -51,-2.7 -2,-0.4 2,-0.3 -0.992 24.1 152.7-125.6 124.9 17.1 23.6 36.3 66 66 A V E > +EJ 13 69B 2 3,-1.8 3,-1.8 -2,-0.5 -53,-0.1 -0.976 66.9 15.2-151.1 142.9 17.6 22.7 32.5 67 67 A L T 3 S- 0 0 45 -55,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.870 130.4 -69.3 53.6 36.2 20.4 23.7 30.1 68 68 A N T 3 S+ 0 0 147 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.722 113.0 114.5 57.2 30.2 22.2 24.6 33.3 69 69 A K E < - J 0 66B 109 -3,-1.8 -3,-1.8 2,-0.0 2,-0.3 -0.865 60.2-119.4-127.1 155.4 19.9 27.5 33.9 70 70 A K E + J 0 65B 97 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.695 32.3 153.8-105.7 155.1 17.3 28.1 36.6 71 71 A V E - J 0 64B 23 -7,-1.6 -7,-4.6 -2,-0.3 2,-0.4 -0.956 31.9-149.2-171.0 155.4 13.6 28.7 36.9 72 72 A R E + J 0 63B 162 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.3 -0.990 44.5 145.9-123.6 122.0 10.5 28.4 39.0 73 73 A A E - J 0 62B 16 -11,-2.2 -11,-1.4 -2,-0.4 16,-0.1 -0.980 52.3 -68.5-160.8 159.3 7.5 27.8 36.8 74 74 A T E - 0 0 37 -2,-0.3 2,-0.5 -13,-0.2 -43,-0.3 -0.238 44.2-165.5 -55.4 132.4 4.1 26.0 36.7 75 75 A I E - J 0 59B 0 -16,-3.2 -16,-3.1 -45,-0.1 2,-0.5 -0.985 4.9-165.5-123.2 123.9 4.3 22.2 36.5 76 76 A M E -gJ 32 58B 9 -45,-2.2 -43,-1.4 -2,-0.5 -18,-0.3 -0.925 13.2-147.7-107.1 121.6 1.3 20.0 35.5 77 77 A T E +gJ 33 57B 27 -20,-3.2 -20,-1.5 -2,-0.5 2,-0.3 -0.702 34.8 116.6 -95.4 149.1 1.6 16.2 36.3 78 78 A G - 0 0 16 -45,-1.3 2,-1.7 -2,-0.3 -22,-0.1 -0.992 65.8 -57.1 175.4 179.4 -0.0 13.4 34.2 79 79 A D + 0 0 145 -24,-0.5 -45,-0.1 -2,-0.3 -2,-0.0 -0.472 65.9 148.6 -87.3 69.1 -0.2 10.4 31.9 80 80 A T - 0 0 12 -2,-1.7 -46,-0.1 1,-0.1 -2,-0.1 -0.868 52.3-135.9-106.5 132.3 2.0 11.6 29.0 81 81 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.805 93.4 23.0 -59.1 -31.6 4.1 9.3 26.9 82 82 A I S S- 0 0 35 -50,-0.0 2,-0.7 -59,-0.0 -50,-0.1 -0.979 85.8-108.2-140.0 152.8 6.9 12.0 27.1 83 83 A N - 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