==== 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 03-JUN-93 2MIP . COMPND 2 MOLECULE: HIV-2 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 2; . AUTHOR L.TONG,S.PAV,C.PARGELLIS,F.DO,D.LAMARRE,P.C.ANDERSON . 416 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 35.8 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 . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 65 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 RESIDUES PER ALPHA HELIX . 3 7 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 . 7 2 8 0 0 6 3 3 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 2 0 0 0 3 0 1 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,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 165.4 16.9 30.5 14.3 2 2 A Q E -A 198 0A 119 196,-0.3 2,-0.6 2,-0.0 196,-0.3 -0.996 360.0-160.4-139.4 129.0 20.0 32.1 12.8 3 3 A F E -A 197 0A 27 194,-4.1 194,-2.0 -2,-0.4 2,-0.3 -0.979 5.0-170.6-116.8 117.1 20.6 32.9 9.3 4 4 A S E -A 196 0A 41 -2,-0.6 3,-0.4 192,-0.2 192,-0.2 -0.646 32.7-123.1 -95.8 150.7 24.2 33.4 8.4 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 -2,-0.3 185,-0.1 0.472 82.0 105.6 -95.3 16.2 24.2 34.7 5.1 6 6 A W S S+ 0 0 176 185,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.865 89.1 32.5 -57.2 -44.5 26.3 32.2 3.2 7 7 A K S S- 0 0 104 -3,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.686 111.3 -84.7-101.8 164.8 23.4 30.6 1.6 8 8 A R - 0 0 91 -2,-0.2 2,-1.6 1,-0.1 119,-0.1 -0.542 47.6-107.8 -64.9 139.6 20.4 32.6 0.6 9 9 A P + 0 0 1 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.411 59.5 163.1 -64.8 82.3 17.9 32.9 3.6 10 10 A V E +D 23 0B 66 -2,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.912 7.9 162.0-115.9 131.5 15.3 30.5 2.2 11 11 A V E -D 22 0B 20 11,-2.2 11,-3.3 -2,-0.4 2,-0.5 -0.928 38.5-106.7-139.4 164.4 12.5 29.0 4.2 12 12 A T E -D 21 0B 61 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.860 36.2-173.1 -99.3 130.2 9.2 27.3 3.6 13 13 A A E -D 20 0B 0 7,-3.0 7,-3.2 -2,-0.5 2,-0.5 -0.822 20.2-138.7-117.3 157.9 6.1 29.2 4.4 14 14 A Y E -DE 19 65B 109 51,-3.1 51,-2.6 -2,-0.3 2,-0.7 -0.976 16.3-168.2-114.4 112.6 2.5 28.2 4.4 15 15 A I E > S-DE 18 64B 0 3,-2.9 3,-2.1 -2,-0.5 49,-0.2 -0.942 78.7 -25.8-105.9 111.9 0.2 30.9 3.0 16 16 A E T 3 S- 0 0 101 47,-3.3 -1,-0.2 -2,-0.7 48,-0.1 0.919 131.1 -44.7 48.0 50.6 -3.4 30.0 3.7 17 17 A G T 3 S+ 0 0 73 46,-0.2 -1,-0.3 1,-0.2 47,-0.1 0.103 116.4 109.3 86.7 -21.0 -2.4 26.3 3.9 18 18 A Q E < -D 15 0B 62 -3,-2.1 -3,-2.9 1,-0.0 2,-0.2 -0.721 64.4-127.9 -96.6 129.7 -0.3 26.2 0.8 19 19 A P E +D 14 0B 86 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.475 32.8 164.7 -75.0 145.5 3.5 25.7 1.0 20 20 A V E -D 13 0B 15 -7,-3.2 -7,-3.0 -2,-0.2 2,-0.5 -0.976 35.4-119.9-151.3 155.8 5.9 28.0 -0.7 21 21 A E E -D 12 0B 116 -2,-0.3 2,-0.4 -9,-0.2 62,-0.4 -0.913 35.7-172.0 -99.0 134.8 9.6 28.7 -0.5 22 22 A V E -D 11 0B 2 -11,-3.3 -11,-2.2 -2,-0.5 2,-0.6 -0.960 24.3-134.9-129.8 146.3 10.4 32.3 0.3 23 23 A L E -Df 10 84B 5 60,-2.9 62,-2.0 -2,-0.4 2,-0.5 -0.825 25.7-132.2 -92.6 120.6 13.5 34.3 0.5 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.5 -2,-0.6 62,-0.2 -0.655 31.7-168.7 -75.1 120.1 13.6 36.5 3.7 25 25 A D > - 0 0 0 60,-2.7 3,-1.3 -2,-0.5 62,-0.4 -0.897 27.3-171.7-125.5 109.3 14.5 39.9 2.4 26 26 A T T 3 S+ 0 0 0 -2,-0.5 98,-0.1 1,-0.3 -1,-0.1 0.610 90.0 58.5 -67.5 -13.5 15.6 42.9 4.6 27 27 A G T 3 S+ 0 0 0 81,-0.1 378,-1.3 96,-0.1 2,-0.4 0.226 86.7 96.1-104.4 18.4 15.5 45.2 1.6 28 28 A A < - 0 0 0 -3,-1.3 59,-2.5 388,-0.2 388,-0.2 -0.929 49.9-170.7-111.9 133.1 11.9 44.6 0.8 29 29 A D S S+ 0 0 34 376,-3.1 59,-0.6 386,-1.9 2,-0.2 0.887 80.2 30.6 -78.6 -46.0 9.1 46.9 2.0 30 30 A D S S- 0 0 38 375,-0.8 2,-0.4 57,-0.1 57,-0.1 -0.532 80.9-120.9-106.1 168.7 6.3 44.4 0.9 31 31 A S - 0 0 2 43,-0.3 45,-2.2 54,-0.2 2,-0.4 -0.934 30.5-173.2-113.6 136.7 6.2 40.6 0.6 32 32 A I E -gH 76 84B 0 52,-1.1 52,-2.1 -2,-0.4 2,-0.3 -0.917 7.4-178.7-141.2 120.1 5.4 39.2 -2.8 33 33 A V E -g 77 0B 0 43,-2.9 45,-1.5 -2,-0.4 2,-0.3 -0.814 10.1-155.1-113.4 147.8 4.7 35.7 -3.9 34 34 A A + 0 0 31 -2,-0.3 45,-0.1 43,-0.2 3,-0.1 -0.789 67.7 33.8-112.4 160.8 4.0 34.3 -7.3 35 35 A G S S+ 0 0 86 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.599 86.1 102.1 74.7 15.6 2.1 31.1 -8.2 36 36 A I - 0 0 22 -3,-0.2 2,-0.7 -18,-0.0 -1,-0.2 -0.914 64.3-133.4-122.9 156.8 -0.5 30.9 -5.6 37 37 A E + 0 0 127 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.923 25.0 173.2-110.4 110.9 -4.2 31.8 -6.0 38 38 A L - 0 0 31 -2,-0.7 3,-0.3 1,-0.3 2,-0.2 0.381 42.9-115.7-102.7 6.5 -5.4 33.9 -3.2 39 39 A G - 0 0 33 1,-0.2 -1,-0.3 20,-0.0 3,-0.0 -0.645 38.8 -59.9 105.2-157.8 -8.9 34.8 -4.5 40 40 A N S S+ 0 0 151 -2,-0.2 2,-1.2 -3,-0.1 -1,-0.2 0.276 95.1 96.1-126.0 13.2 -10.5 38.0 -5.5 41 41 A N + 0 0 147 -3,-0.3 2,-0.3 2,-0.0 19,-0.3 -0.692 61.0 117.1-101.9 81.4 -10.5 40.3 -2.5 42 42 A Y - 0 0 81 -2,-1.2 17,-0.2 17,-0.1 34,-0.0 -0.912 58.5-133.1-134.0 165.2 -7.5 42.2 -3.3 43 43 A S E -I 58 0B 38 15,-2.0 15,-2.7 -2,-0.3 2,-0.1 -0.963 32.2-111.9-116.8 137.2 -6.7 45.7 -4.1 44 44 A P E +I 57 0B 96 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.446 41.7 175.8 -68.4 146.4 -4.5 46.5 -7.1 45 45 A K E -I 56 0B 76 11,-1.8 11,-3.2 -2,-0.1 2,-0.5 -0.956 27.3-135.4-149.6 153.5 -1.1 48.0 -6.3 46 46 A I E -I 55 0B 123 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.970 24.0-168.1-116.4 121.9 2.0 49.0 -8.2 47 47 A V E -I 54 0B 3 7,-3.2 7,-3.2 -2,-0.5 2,-0.3 -0.931 4.7-153.0-117.3 136.9 5.3 47.8 -6.7 48 48 A G E +I 53 0B 1 358,-1.3 368,-2.2 -2,-0.4 358,-1.7 -0.836 19.7 160.3-109.2 151.6 8.8 49.0 -7.8 49 49 A G B -K 405 0C 7 3,-3.7 356,-0.2 -2,-0.3 3,-0.1 -0.764 56.9 -61.5-145.1-163.5 12.1 47.2 -7.6 50 50 A I S S+ 0 0 5 366,-0.7 101,-0.1 354,-0.6 3,-0.1 0.859 132.3 37.1 -57.5 -41.2 15.7 47.2 -9.0 51 51 A G S S- 0 0 28 99,-2.5 2,-0.3 1,-0.2 100,-0.3 0.702 123.8 -86.6 -87.2 -22.9 14.6 46.5 -12.5 52 52 A G - 0 0 19 98,-0.8 -3,-3.7 100,-0.2 2,-0.3 -0.989 60.6 -30.5 156.8-144.9 11.4 48.6 -12.5 53 53 A F E -I 48 0B 144 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.901 39.9-172.7-121.5 152.0 7.7 48.4 -11.7 54 54 A I E -I 47 0B 28 -7,-3.2 -7,-3.2 -2,-0.3 2,-0.3 -0.955 26.5-119.8-140.8 149.1 5.0 45.7 -11.6 55 55 A N E -I 46 0B 130 -2,-0.3 24,-0.5 -9,-0.2 2,-0.3 -0.691 40.5-178.0 -80.4 141.3 1.3 45.5 -11.0 56 56 A T E -I 45 0B 6 -11,-3.2 -11,-1.8 -2,-0.3 2,-0.5 -0.879 28.6-123.0-137.7 169.2 0.6 43.4 -8.1 57 57 A K E -IJ 44 77B 79 20,-2.6 20,-2.6 -2,-0.3 2,-0.5 -0.975 27.8-151.2-115.4 117.2 -2.5 42.1 -6.3 58 58 A E E -IJ 43 76B 21 -15,-2.7 -15,-2.0 -2,-0.5 2,-0.4 -0.797 13.0-175.4 -97.8 125.7 -2.6 43.0 -2.6 59 59 A Y E - J 0 75B 11 16,-2.2 16,-2.2 -2,-0.5 3,-0.3 -0.923 11.8-152.3-115.0 130.8 -4.4 40.9 0.0 60 60 A K E S+ 0 0 121 -2,-0.4 14,-0.2 -19,-0.3 13,-0.1 -0.755 72.7 20.8-102.1 149.3 -4.7 42.0 3.7 61 61 A N E S+ 0 0 111 -2,-0.3 13,-0.2 1,-0.2 -1,-0.2 0.678 75.9 172.3 71.2 16.0 -4.9 39.7 6.7 62 62 A V E - J 0 73B 8 11,-1.8 11,-2.0 -3,-0.3 2,-0.7 -0.271 36.4-118.9 -58.3 137.5 -3.5 36.6 5.0 63 63 A E E - J 0 72B 51 9,-0.2 -47,-3.3 2,-0.0 2,-0.4 -0.804 37.5-171.3 -84.8 117.1 -2.9 33.7 7.4 64 64 A I E -EJ 15 71B 0 7,-5.7 7,-2.5 -2,-0.7 2,-0.5 -0.975 16.8-171.2-115.1 130.6 0.9 32.9 7.4 65 65 A E E +EJ 14 70B 74 -51,-2.6 -51,-3.1 -2,-0.4 2,-0.3 -0.983 30.0 133.7-117.3 118.7 2.7 30.0 8.9 66 66 A V E > + J 0 69B 3 3,-2.0 3,-2.2 -2,-0.5 -53,-0.1 -0.954 63.7 14.2-162.7 144.7 6.5 30.2 8.9 67 67 A L T 3 S- 0 0 41 -55,-0.5 3,-0.1 1,-0.3 -54,-0.1 0.858 128.1 -65.5 51.8 35.8 9.4 29.6 11.3 68 68 A N T 3 S+ 0 0 153 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.304 115.8 114.6 74.5 -13.2 6.8 27.9 13.5 69 69 A K E < - J 0 66B 101 -3,-2.2 -3,-2.0 1,-0.0 2,-0.4 -0.459 58.6-145.1 -87.3 165.7 5.1 31.2 13.9 70 70 A K E + J 0 65B 112 -5,-0.2 -5,-0.3 -2,-0.1 2,-0.2 -0.824 26.2 170.6-138.8 96.8 1.6 32.0 12.6 71 71 A V E - J 0 64B 17 -7,-2.5 -7,-5.7 -2,-0.4 2,-0.5 -0.617 32.2-140.6-104.2 160.7 1.0 35.5 11.4 72 72 A R E + J 0 63B 143 -9,-0.3 2,-0.3 -2,-0.2 -9,-0.2 -0.996 45.4 153.5-114.8 114.4 -1.7 37.3 9.6 73 73 A A E - 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