==== 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 1IDA . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 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) . 9914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 68.8 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 . 27 13.6 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 90 0, 0.0 198,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 157.5 63.3 43.3 3.1 2 2 A Q E -A 198 0A 145 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.985 360.0-156.5-131.1 142.3 64.0 40.6 5.7 3 3 A F E -A 197 0A 38 194,-2.5 194,-2.1 -2,-0.3 2,-0.2 -0.975 5.9-152.6-123.9 119.7 61.5 38.5 7.6 4 4 A S E -A 196 0A 83 -2,-0.5 3,-0.5 192,-0.2 192,-0.1 -0.471 24.2-128.9 -78.4 153.1 62.4 37.0 10.9 5 5 A L S S+ 0 0 2 190,-0.6 186,-0.2 1,-0.2 185,-0.1 0.387 81.3 104.7 -99.0 22.1 60.3 33.9 11.3 6 6 A W S S+ 0 0 187 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.896 91.8 28.6 -58.1 -46.5 58.9 34.6 14.7 7 7 A K S S- 0 0 151 -3,-0.5 0, 0.0 1,-0.1 0, 0.0 -0.782 110.8 -81.3-106.0 163.2 55.5 35.5 13.1 8 8 A R - 0 0 92 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.400 44.7-116.7 -65.1 134.8 54.2 34.0 9.7 9 9 A P + 0 0 2 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.542 54.9 162.9 -73.9 80.1 55.8 35.9 6.9 10 10 A V E +D 23 0B 56 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.896 9.0 169.6-109.7 133.1 52.5 37.3 5.5 11 11 A V E -D 22 0B 20 11,-2.7 11,-3.3 -2,-0.4 2,-0.4 -0.941 36.6-101.0-134.4 169.7 52.2 40.3 3.0 12 12 A T E +D 21 0B 63 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.751 40.2 179.3 -93.0 132.8 49.6 42.0 0.9 13 13 A A E -DE 20 66B 0 7,-2.6 7,-2.3 -2,-0.4 2,-0.6 -0.948 24.8-136.1-129.0 149.4 49.7 41.1 -2.8 14 14 A Y E -DE 19 65B 108 51,-2.8 51,-2.8 -2,-0.3 2,-0.6 -0.960 16.2-164.2-105.8 121.8 47.6 42.3 -5.6 15 15 A I E > S-DE 18 64B 0 3,-2.4 3,-1.8 -2,-0.6 49,-0.2 -0.948 81.2 -22.0-106.3 107.5 46.5 39.5 -8.0 16 16 A E T 3 S- 0 0 84 47,-2.8 -1,-0.2 -2,-0.6 48,-0.1 0.954 133.3 -48.1 53.0 47.4 45.2 40.9 -11.3 17 17 A G T 3 S+ 0 0 45 46,-0.3 -1,-0.3 -3,-0.2 47,-0.1 0.441 114.5 119.1 78.1 -3.1 44.6 44.1 -9.3 18 18 A Q E < -D 15 0B 69 -3,-1.8 -3,-2.4 1,-0.0 -1,-0.2 -0.877 61.9-125.4-102.6 130.6 42.8 42.4 -6.3 19 19 A P E +D 14 0B 89 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.381 37.2 162.8 -73.6 134.8 44.3 42.7 -2.8 20 20 A V E -D 13 0B 16 -7,-2.3 -7,-2.6 -2,-0.1 2,-0.5 -0.991 38.8-120.0-144.0 150.6 44.8 39.4 -0.9 21 21 A E E -D 12 0B 103 -2,-0.3 62,-0.4 -9,-0.2 2,-0.4 -0.819 38.8-171.5 -93.0 127.4 46.9 38.5 2.1 22 22 A V E -D 11 0B 1 -11,-3.3 -11,-2.7 -2,-0.5 2,-0.4 -0.965 22.3-134.1-126.9 148.7 49.5 35.8 1.2 23 23 A L E -Df 10 84B 5 60,-2.5 62,-2.7 -2,-0.4 2,-0.8 -0.861 23.4-129.4 -96.0 129.3 52.0 33.7 3.1 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.7 -2,-0.4 62,-0.2 -0.744 33.7-169.3 -83.3 107.0 55.6 33.5 1.7 25 25 A D > + 0 0 0 60,-2.7 3,-1.2 -2,-0.8 62,-0.3 -0.849 28.9 176.5-115.5 99.0 56.1 29.7 1.6 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.2 98,-0.1 0.643 87.3 59.1 -69.5 -16.9 59.5 28.1 0.9 27 27 A G T 3 S+ 0 0 11 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.582 89.1 85.5 -89.2 -10.5 57.9 24.7 1.5 28 28 A A < - 0 0 17 -3,-1.2 59,-3.1 57,-0.2 60,-0.2 -0.817 54.9-166.2 -97.1 129.8 55.3 25.0 -1.2 29 29 A D S S+ 0 0 56 -2,-0.5 59,-0.7 57,-0.2 2,-0.2 0.874 78.4 36.5 -79.4 -29.5 56.2 24.1 -4.8 30 30 A D S S- 0 0 76 57,-0.1 2,-0.4 58,-0.1 57,-0.2 -0.590 80.2-119.0-117.5 170.0 53.0 25.8 -6.1 31 31 A S - 0 0 2 43,-0.3 45,-2.2 -2,-0.2 2,-0.4 -0.921 28.6-177.7-116.6 133.2 51.0 28.9 -5.3 32 32 A I E -gH 76 84B 5 52,-1.9 52,-3.0 -2,-0.4 2,-0.3 -0.983 3.4-178.9-141.0 129.9 47.4 28.7 -4.3 33 33 A V E -g 77 0B 1 43,-2.7 45,-1.5 -2,-0.4 2,-0.4 -0.887 12.3-147.8-128.0 149.1 44.8 31.4 -3.5 34 34 A A + 0 0 34 -2,-0.3 3,-0.1 43,-0.2 45,-0.1 -0.938 69.0 21.0-118.2 143.3 41.2 31.4 -2.4 35 35 A G S S+ 0 0 82 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.895 85.1 105.1 72.6 41.8 38.4 33.8 -3.1 36 36 A I - 0 0 17 -3,-0.2 2,-0.6 -16,-0.0 -1,-0.3 -0.958 61.7-139.2-139.2 138.2 39.5 35.6 -6.1 37 37 A E + 0 0 130 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.911 20.7 178.6-101.4 124.6 37.8 34.8 -9.4 38 38 A L - 0 0 33 -2,-0.6 3,-0.3 1,-0.4 2,-0.2 0.303 41.7-117.3-109.7 5.7 40.4 34.7 -12.2 39 39 A G - 0 0 24 1,-0.2 -1,-0.4 20,-0.0 0, 0.0 -0.569 41.2 -47.5 101.4-161.8 38.0 33.7 -15.0 40 40 A N S S+ 0 0 136 -2,-0.2 2,-1.7 1,-0.1 -1,-0.2 0.579 97.2 90.4 -99.1 -18.1 37.6 30.8 -17.4 41 41 A N + 0 0 155 -3,-0.3 19,-0.4 19,-0.0 2,-0.3 -0.602 65.4 112.8 -85.1 84.5 40.9 30.0 -18.9 42 42 A Y - 0 0 81 -2,-1.7 17,-0.2 17,-0.1 15,-0.1 -0.910 54.7-141.9-138.7 165.8 42.0 27.5 -16.3 43 43 A S E -I 58 0B 51 15,-1.2 15,-3.0 -2,-0.3 2,-0.3 -0.990 31.1-108.7-131.5 138.7 42.7 23.8 -16.3 44 44 A P E -I 57 0B 93 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.502 37.7-176.2 -72.3 139.7 41.8 21.7 -13.4 45 45 A K E -I 56 0B 92 11,-2.4 11,-4.0 -2,-0.3 2,-0.5 -0.881 22.9-138.8-132.4 151.3 44.5 20.3 -11.3 46 46 A I E -I 55 0B 87 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.956 27.0-168.9-111.2 123.0 44.7 17.9 -8.2 47 47 A V E -I 54 0B 25 7,-2.6 7,-3.3 -2,-0.5 2,-0.4 -0.983 11.6-138.5-121.3 137.6 47.1 19.2 -5.6 48 48 A G E +I 53 0B 44 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.833 22.0 174.7-100.6 131.0 48.4 17.3 -2.6 49 49 A G - 0 0 23 3,-3.8 3,-0.2 -2,-0.4 102,-0.1 -0.503 53.0 -78.8-115.8-171.3 48.9 18.7 0.9 50 50 A I S S+ 0 0 18 151,-0.8 101,-0.1 1,-0.2 3,-0.1 0.818 128.9 33.9 -62.9 -28.0 49.9 17.3 4.3 51 51 A G S S- 0 0 27 99,-1.9 2,-0.3 1,-0.2 102,-0.3 0.571 126.2 -57.3-106.1 -11.1 46.4 15.9 4.9 52 52 A G - 0 0 23 98,-1.0 -3,-3.8 100,-0.2 2,-0.3 -0.985 64.5 -55.6 167.2-160.3 45.2 15.0 1.5 53 53 A F E -I 48 0B 151 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.855 37.5-164.6-114.3 151.3 44.5 16.2 -2.1 54 54 A I E -I 47 0B 20 -7,-3.3 -7,-2.6 -2,-0.3 2,-0.4 -0.873 22.7-116.2-130.8 160.8 42.3 19.0 -3.3 55 55 A N E +I 46 0B 127 -2,-0.3 24,-0.4 -9,-0.2 2,-0.3 -0.817 40.8 177.1 -93.4 138.1 40.9 20.0 -6.7 56 56 A T E -I 45 0B 7 -11,-4.0 -11,-2.4 -2,-0.4 2,-0.6 -0.891 32.3-125.4-135.9 167.9 42.1 23.3 -8.1 57 57 A K E -IJ 44 77B 76 20,-2.2 20,-2.2 -2,-0.3 2,-0.6 -0.964 28.3-148.6-112.5 120.3 41.9 25.6 -11.1 58 58 A E E -IJ 43 76B 41 -15,-3.0 -15,-1.2 -2,-0.6 2,-0.4 -0.768 13.6-172.6 -93.8 125.9 45.2 26.4 -12.5 59 59 A Y E - J 0 75B 10 16,-3.1 16,-2.3 -2,-0.6 3,-0.3 -0.941 9.3-152.3-112.1 135.5 45.8 29.8 -14.2 60 60 A K E + 0 0 125 -2,-0.4 14,-0.2 -19,-0.4 13,-0.1 -0.724 69.1 18.9-106.3 158.8 48.9 30.7 -16.1 61 61 A N E S+ 0 0 103 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.786 75.8 172.5 56.3 40.7 50.5 34.0 -16.6 62 62 A V E - J 0 73B 6 11,-2.3 11,-1.9 -3,-0.3 2,-0.5 -0.595 34.5-120.9 -81.3 135.6 48.8 35.9 -13.8 63 63 A E E - J 0 72B 65 -2,-0.3 -47,-2.8 9,-0.2 2,-0.4 -0.646 36.1-177.0 -82.1 122.6 49.9 39.4 -13.1 64 64 A I E -EJ 15 71B 0 7,-3.1 7,-2.3 -2,-0.5 2,-0.5 -0.963 16.0-166.9-121.0 133.3 51.1 39.7 -9.5 65 65 A E E +EJ 14 70B 56 -51,-2.8 -51,-2.8 -2,-0.4 2,-0.3 -0.968 26.9 147.9-121.3 120.4 52.3 42.7 -7.8 66 66 A V E > +EJ 13 69B 4 3,-2.2 3,-2.7 -2,-0.5 -53,-0.1 -0.997 60.3 3.8-151.6 144.9 54.1 42.0 -4.4 67 67 A L T 3 S- 0 0 42 -55,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.890 130.1 -56.7 45.7 45.4 56.8 43.6 -2.3 68 68 A N T 3 S+ 0 0 179 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.678 117.4 111.7 63.0 16.6 57.1 46.4 -4.9 69 69 A K E < - J 0 66B 92 -3,-2.7 -3,-2.2 2,-0.0 2,-0.4 -0.877 56.7-145.5-118.7 157.7 57.7 43.9 -7.7 70 70 A K E + J 0 65B 147 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.986 28.1 160.5-122.6 127.4 55.7 42.9 -10.6 71 71 A V E - J 0 64B 20 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.929 33.0-135.1-140.0 164.3 55.8 39.3 -11.9 72 72 A R E + J 0 63B 132 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.991 42.5 147.4-122.7 128.3 53.7 36.9 -14.1 73 73 A A E - 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