==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ACID PROTEINASE) 31-MAR-95 1HSI . COMPND 2 MOLECULE: HIV-2 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 2; . AUTHOR Z.CHEN . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.9 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 . 5 2.5 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 . 38 19.2 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 . 7 3.5 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 1 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 0 RESIDUES PER ALPHA HELIX . 1 3 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 1 2 1 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 87 0, 0.0 198,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.6 26.5 6.6 13.0 2 2 A Q E -A 198 0A 119 196,-0.2 2,-0.7 2,-0.0 196,-0.2 -0.952 360.0-144.9-142.6 117.1 25.1 9.2 10.7 3 3 A F E -A 197 0A 27 194,-2.5 194,-1.6 -2,-0.4 2,-0.1 -0.741 13.5-143.3 -87.1 114.2 21.5 10.2 10.3 4 4 A S - 0 0 40 -2,-0.7 3,-0.4 192,-0.2 192,-0.1 -0.489 8.5-143.9 -59.3 145.3 20.5 11.1 6.7 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 -1,-0.1 0.303 81.6 94.8 -99.7 9.4 18.1 14.0 6.9 6 6 A W S S+ 0 0 192 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.750 95.2 32.6 -72.8 -23.2 16.0 12.6 4.0 7 7 A K S S- 0 0 146 -3,-0.4 0, 0.0 3,-0.0 0, 0.0 -0.897 112.9 -79.3-123.9 159.0 13.8 10.9 6.6 8 8 A R - 0 0 97 -2,-0.3 2,-2.6 1,-0.1 119,-0.1 -0.327 46.2-120.5 -58.3 127.8 13.0 12.2 10.0 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.3 -0.416 53.5 157.1 -76.0 74.9 15.9 11.4 12.3 10 10 A V E +D 23 0B 67 -2,-2.6 2,-0.3 13,-0.2 13,-0.2 -0.695 9.9 165.7 -92.1 152.1 14.0 9.3 14.8 11 11 A V E -D 22 0B 16 11,-1.9 11,-3.2 -2,-0.3 2,-0.6 -0.952 38.2-102.9-157.7 164.2 15.8 6.7 16.9 12 12 A T E -D 21 0B 50 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.910 34.6-174.4 -99.5 121.3 15.2 4.5 20.0 13 13 A A E -DE 20 66B 0 7,-2.2 7,-2.2 -2,-0.6 2,-0.7 -0.778 22.5-134.0-103.3 158.6 16.7 5.8 23.2 14 14 A Y E -DE 19 65B 93 51,-2.0 51,-1.4 -2,-0.3 2,-1.2 -0.932 17.8-164.7-111.4 101.6 16.6 3.8 26.4 15 15 A I E > S-DE 18 64B 0 3,-2.8 3,-1.3 -2,-0.7 49,-0.2 -0.783 79.8 -26.3 -90.2 99.0 15.6 6.2 29.1 16 16 A E T 3 S- 0 0 89 47,-3.0 -1,-0.3 -2,-1.2 48,-0.1 0.908 127.8 -47.5 65.4 42.0 16.5 4.3 32.3 17 17 A G T 3 S+ 0 0 56 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 -0.072 117.8 112.5 89.9 -31.7 16.1 0.9 30.6 18 18 A Q E < -D 15 0B 78 -3,-1.3 -3,-2.8 -4,-0.1 2,-0.4 -0.510 64.2-131.2 -77.8 138.0 12.8 1.9 29.1 19 19 A P E +D 14 0B 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.718 29.9 168.8 -94.1 135.3 12.6 2.3 25.3 20 20 A V E -D 13 0B 16 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.6 -0.981 36.3-120.3-139.3 151.7 11.1 5.4 23.6 21 21 A E E -D 12 0B 112 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.841 41.8-176.3 -91.0 118.2 11.1 6.6 20.0 22 22 A V E -D 11 0B 2 -11,-3.2 -11,-1.9 -2,-0.6 2,-0.5 -0.937 24.8-130.2-124.4 150.7 12.7 10.1 20.0 23 23 A L E -Df 10 84B 4 60,-3.1 62,-2.7 -2,-0.3 2,-0.8 -0.814 18.8-135.7 -98.5 123.9 13.4 12.8 17.4 24 24 A L E + f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.1 -0.727 34.6 178.9 -84.3 110.9 16.9 14.2 17.2 25 25 A D > - 0 0 18 60,-2.0 3,-1.7 -2,-0.8 62,-0.2 -0.858 27.6-176.0-133.5 90.7 16.1 17.9 17.0 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.497 85.2 66.4 -64.1 -6.8 18.9 20.5 16.8 27 27 A G T 3 S+ 0 0 28 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.240 89.2 77.9 -96.6 6.2 16.2 23.3 16.8 28 28 A A < - 0 0 22 -3,-1.7 59,-3.0 57,-0.2 60,-0.1 -0.958 65.2-154.8-115.9 141.3 15.2 22.4 20.4 29 29 A D S S+ 0 0 58 -2,-0.4 59,-1.8 57,-0.3 2,-0.2 0.878 77.2 17.9 -80.5 -41.1 17.2 23.5 23.4 30 30 A D S S- 0 0 89 57,-0.2 2,-0.2 56,-0.1 57,-0.2 -0.703 80.8-108.1-126.6 172.8 16.1 20.8 25.8 31 31 A S - 0 0 2 -2,-0.2 2,-0.3 54,-0.2 54,-0.2 -0.540 24.1-176.4-100.0 165.4 14.5 17.4 25.6 32 32 A I B -G 84 0B 15 52,-2.5 52,-2.1 -2,-0.2 2,-0.4 -0.816 5.0-169.4-164.5 126.4 11.0 16.2 26.5 33 33 A V B -h 77 0B 0 43,-2.3 45,-1.8 -2,-0.3 2,-0.4 -0.907 9.1-150.4-122.8 145.0 9.6 12.7 26.4 34 34 A A S S+ 0 0 18 -2,-0.4 2,-0.5 43,-0.2 45,-0.1 -0.872 71.3 27.9-108.0 144.8 6.1 11.3 26.7 35 35 A G S S+ 0 0 76 -2,-0.4 2,-0.1 1,-0.2 -1,-0.1 -0.405 80.2 103.4 114.6 -63.0 5.3 7.9 28.1 36 36 A I - 0 0 10 -2,-0.5 2,-0.7 -18,-0.1 -1,-0.2 -0.420 61.5-141.8 -60.6 129.0 8.0 6.8 30.5 37 37 A E - 0 0 142 -2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.882 35.5-179.6 -83.0 117.6 7.0 7.0 34.2 38 38 A L - 0 0 21 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.814 26.1 -50.2-103.9 -37.6 10.4 8.1 35.3 39 39 A G - 0 0 23 1,-0.1 -1,-0.2 20,-0.0 3,-0.1 -0.958 35.5-104.7-178.0-173.4 11.2 8.9 38.9 40 40 A N S S+ 0 0 150 -2,-0.3 2,-1.0 1,-0.1 -1,-0.1 0.416 93.6 82.8-118.0 -5.4 10.4 10.6 42.2 41 41 A N + 0 0 139 19,-0.1 19,-0.5 -3,-0.1 2,-0.4 -0.722 61.7 135.0-104.9 82.8 13.0 13.3 42.0 42 42 A Y - 0 0 96 -2,-1.0 17,-0.2 17,-0.1 15,-0.0 -0.989 44.1-149.1-131.3 138.4 11.5 16.0 39.9 43 43 A S E -I 58 0B 51 15,-1.6 15,-2.6 -2,-0.4 2,-0.2 -0.733 36.7-113.3 -82.0 145.8 11.2 19.8 40.0 44 44 A P E +I 57 0B 87 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.571 47.6 161.6 -67.9 151.5 8.0 21.1 38.4 45 45 A K E -I 56 0B 87 11,-1.6 11,-1.6 -2,-0.2 2,-0.3 -0.862 26.4-130.0-147.9-176.0 8.7 23.1 35.2 46 46 A I E -I 55 0B 105 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.979 14.1-173.7-139.9 160.6 6.7 24.3 32.2 47 47 A V E -I 54 0B 47 7,-1.5 7,-3.0 -2,-0.3 5,-0.1 -0.976 18.2-139.2-144.5 148.0 7.2 24.2 28.4 48 48 A G + 0 0 20 -2,-0.3 4,-0.3 5,-0.3 -1,-0.2 0.765 33.4 155.4 -70.7-103.4 5.1 25.8 25.6 49 49 A G - 0 0 40 2,-0.1 3,-0.5 4,-0.1 100,-0.0 -0.119 65.8 -10.5 80.8 156.9 4.6 23.7 22.6 50 50 A I S S+ 0 0 120 1,-0.2 2,-0.6 100,-0.2 100,-0.2 0.091 140.5 2.6 -26.9 105.9 1.7 24.0 20.1 51 51 A G S S- 0 0 52 101,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.696 119.6 -58.2 115.8 -75.6 -0.7 26.4 22.0 52 52 A G S S- 0 0 35 -2,-0.6 -5,-0.1 -3,-0.5 99,-0.1 -0.943 79.5 -17.6 179.6-168.6 1.0 27.4 25.2 53 53 A F + 0 0 161 -2,-0.3 -5,-0.3 -7,-0.1 2,-0.3 -0.271 51.7 178.5 -63.0 133.4 2.6 26.2 28.5 54 54 A I E -I 47 0B 62 -7,-3.0 -7,-1.5 -6,-0.2 2,-0.3 -0.899 35.0 -85.4-131.6 169.2 1.9 22.7 29.9 55 55 A N E +I 46 0B 137 -2,-0.3 24,-0.4 -9,-0.2 2,-0.4 -0.503 44.9 176.4 -87.5 127.3 3.1 20.9 33.0 56 56 A T E -I 45 0B 7 -11,-1.6 -11,-1.6 -2,-0.3 2,-0.6 -0.980 29.0-138.3-133.5 140.6 6.3 18.9 33.0 57 57 A K E -IJ 44 77B 76 20,-2.2 20,-2.2 -2,-0.4 2,-0.5 -0.857 26.6-154.3 -90.1 121.1 8.4 16.9 35.5 58 58 A E E -IJ 43 76B 46 -15,-2.6 -15,-1.6 -2,-0.6 2,-0.3 -0.868 10.0-164.4-104.3 124.7 12.1 17.8 35.0 59 59 A Y E - J 0 75B 12 16,-3.0 16,-2.0 -2,-0.5 2,-0.3 -0.810 7.0-146.7-111.4 149.3 14.6 15.2 36.0 60 60 A K E S+ 0 0 159 -19,-0.5 14,-0.1 -2,-0.3 -19,-0.1 -0.818 75.9 10.4-110.7 148.0 18.4 15.5 36.5 61 61 A N E S+ 0 0 99 -2,-0.3 13,-0.2 1,-0.2 -1,-0.1 0.444 79.3 168.9 72.0 1.7 21.1 12.9 35.8 62 62 A V E - J 0 73B 6 11,-0.5 11,-1.6 10,-0.2 2,-0.7 0.006 37.4-115.7 -43.2 148.1 18.7 10.5 34.0 63 63 A E E + J 0 72B 65 9,-0.2 -47,-3.0 7,-0.1 2,-0.5 -0.857 36.1 177.8 -98.6 116.8 20.4 7.6 32.1 64 64 A I E -EJ 15 71B 0 7,-3.0 7,-2.7 -2,-0.7 2,-0.5 -0.965 9.9-167.6-113.4 129.8 19.9 7.7 28.4 65 65 A E E +EJ 14 70B 63 -51,-1.4 -51,-2.0 -2,-0.5 2,-0.4 -0.992 13.4 171.1-114.0 123.4 21.5 5.1 26.1 66 66 A V E > -EJ 13 69B 0 3,-3.0 3,-1.7 -2,-0.5 -53,-0.1 -0.988 69.2 -14.4-135.9 124.4 21.5 6.0 22.4 67 67 A L T 3 S- 0 0 78 -55,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.929 129.4 -53.1 46.4 51.1 23.3 4.0 19.7 68 68 A N T 3 S+ 0 0 146 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.662 114.3 117.6 59.3 20.6 25.3 2.2 22.5 69 69 A K E < - J 0 66B 98 -3,-1.7 -3,-3.0 2,-0.0 2,-0.3 -0.978 48.8-163.8-111.5 111.8 26.4 5.5 24.0 70 70 A K E + J 0 65B 106 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.3 -0.759 17.4 167.0 -92.9 146.4 25.0 5.7 27.6 71 71 A V E - J 0 64B 24 -7,-2.7 -7,-3.0 -2,-0.3 2,-0.4 -0.977 34.0-129.1-158.7 146.3 25.0 9.1 29.1 72 72 A R E + J 0 63B 163 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.937 45.4 142.9-105.8 139.9 23.5 10.9 32.2 73 73 A A E - 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