==== 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 VIRAL PROTEIN 04-DEC-06 2O4N . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR L.W.KANG,A.A.ARMSTRONG,S.MUZAMMIL,A.JAKALIAN,P.R.BONNEAU,V.S . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.9 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 . 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 . 22 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 2 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 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 2 3 0 0 2 1 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 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 76 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 178.9 29.8 4.8 17.8 2 2 A Q E -A 198 0A 135 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.980 360.0-162.5-107.9 119.8 29.9 6.9 21.0 3 3 A I E -A 197 0A 36 194,-3.5 194,-2.5 -2,-0.5 2,-0.1 -0.900 5.8-148.8-113.1 117.6 28.9 10.6 20.1 4 4 A T - 0 0 78 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.375 12.5-136.0 -73.0 164.4 29.6 13.6 22.3 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.116 72.3 109.3-117.4 21.4 27.3 16.5 22.4 6 6 A W S S+ 0 0 198 185,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.856 93.2 22.1 -62.0 -36.3 29.8 19.4 22.3 7 7 A K S S- 0 0 173 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.713 111.1 -68.8-120.9 172.7 28.5 20.0 18.7 8 8 A R - 0 0 128 -2,-0.2 2,-2.0 1,-0.1 119,-0.1 -0.492 50.2-120.0 -63.3 129.3 25.3 19.1 16.8 9 9 A P + 0 0 5 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.518 47.1 170.5 -72.2 78.7 25.2 15.3 16.3 10 10 A L E +D 23 0B 69 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.745 5.1 176.2 -93.5 135.1 25.2 15.3 12.5 11 11 A V E -D 22 0B 16 11,-2.6 11,-2.4 -2,-0.4 2,-0.4 -0.916 33.9-108.2-132.9 159.1 25.6 12.0 10.6 12 12 A T E -D 21 0B 88 -2,-0.3 55,-0.9 9,-0.2 2,-0.3 -0.780 39.0-172.6 -85.8 134.4 25.5 10.8 6.9 13 13 A V E -DE 20 66B 1 7,-3.0 7,-2.4 -2,-0.4 2,-0.5 -0.921 20.9-136.4-128.3 144.3 22.5 8.8 6.2 14 14 A K E +DE 19 65B 112 51,-2.5 51,-1.5 -2,-0.3 2,-0.3 -0.955 38.8 154.9-104.2 122.1 21.6 6.8 3.0 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.2 -2,-0.5 49,-0.1 -0.982 62.1 -1.7-151.8 133.5 17.9 7.4 2.0 16 16 A G T 3 S- 0 0 45 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.810 128.1 -58.6 53.7 35.3 16.1 7.1 -1.3 17 17 A G T 3 S+ 0 0 75 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.469 118.2 107.5 74.2 3.6 19.4 6.3 -3.1 18 18 A Q E < -D 15 0B 82 -3,-2.2 -3,-2.6 2,-0.0 2,-0.5 -0.778 67.4-129.6-110.9 156.0 20.9 9.6 -1.9 19 19 A L E +D 14 0B 130 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.913 38.3 168.6-101.4 130.7 23.5 10.5 0.8 20 20 A K E -D 13 0B 44 -7,-2.4 -7,-3.0 -2,-0.5 2,-0.3 -0.986 35.9-117.5-143.1 150.2 22.4 13.2 3.1 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.705 38.5 176.7 -84.6 136.2 23.4 14.9 6.4 22 22 A A E -D 11 0B 1 -11,-2.4 -11,-2.6 -2,-0.3 2,-0.4 -0.991 28.2-120.1-145.1 150.5 20.9 14.5 9.2 23 23 A L E -Df 10 84B 7 60,-2.6 62,-3.2 -2,-0.3 2,-0.8 -0.780 21.7-131.0 -94.1 129.0 20.6 15.5 12.9 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.698 32.8-176.2 -80.5 111.0 20.2 12.8 15.5 25 25 A D > - 0 0 15 60,-2.5 3,-1.2 -2,-0.8 62,-0.3 -0.850 23.0-178.0-122.2 95.8 17.3 14.2 17.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 99,-0.1 0.727 86.9 58.1 -65.1 -21.8 16.2 12.2 20.7 27 27 A G T 3 S+ 0 0 11 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.658 85.6 93.7 -83.3 -14.6 13.4 14.8 21.3 28 28 A A < - 0 0 17 -3,-1.2 59,-3.2 57,-0.2 60,-0.2 -0.681 58.4-160.9 -79.1 123.5 11.8 14.2 17.9 29 29 A D S S+ 0 0 58 -2,-0.5 59,-1.6 57,-0.2 2,-0.2 0.925 78.0 27.6 -61.7 -41.1 9.0 11.7 17.9 30 30 A D S S- 0 0 61 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.601 80.9-106.8-126.1 172.3 9.4 11.4 14.1 31 31 A T - 0 0 0 43,-0.4 45,-2.9 -2,-0.2 2,-0.4 -0.907 33.4-176.2-106.4 126.6 11.9 11.7 11.2 32 32 A I E -gH 76 84B 9 52,-1.4 52,-2.8 -2,-0.5 2,-0.3 -0.996 4.6-170.3-130.7 127.2 11.5 14.7 8.8 33 33 A F E -g 77 0B 0 43,-2.8 45,-2.1 -2,-0.4 47,-0.3 -0.849 29.2-110.2-111.7 144.3 13.5 15.5 5.7 34 34 A E S S- 0 0 92 -2,-0.3 -1,-0.1 1,-0.2 49,-0.0 -0.286 73.4 -45.5 -58.4 163.7 13.6 18.7 3.7 35 35 A E S S+ 0 0 120 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.000 83.7 139.7 -41.7 125.7 12.0 18.4 0.2 36 36 A M - 0 0 18 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.964 52.5 -96.7-162.1 162.1 13.1 15.2 -1.5 37 37 A S + 0 0 97 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.700 39.8 175.0 -87.6 133.9 11.6 12.5 -3.7 38 38 A L - 0 0 16 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.972 28.3-110.5-133.9 154.3 10.6 9.2 -2.1 39 39 A P + 0 0 91 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.417 68.7 17.9 -80.8 158.2 8.8 6.1 -3.5 40 40 A G S S- 0 0 69 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.212 94.7 -24.1 88.8-172.8 5.3 4.9 -2.8 41 41 A R - 0 0 245 19,-0.1 19,-0.6 -2,-0.0 2,-0.3 -0.368 55.7-177.6 -76.7 152.0 2.0 6.4 -1.4 42 42 A W E -I 59 0B 129 17,-0.1 17,-0.2 -2,-0.1 15,-0.1 -0.971 14.3-152.9-146.1 160.1 1.8 9.3 1.0 43 43 A K E -I 58 0B 111 15,-1.2 15,-2.8 -2,-0.3 2,-0.2 -0.987 27.7-110.7-131.9 148.0 -0.7 11.4 3.0 44 44 A P E +I 57 0B 72 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.557 44.5 164.4 -75.8 134.3 -0.6 15.0 4.2 45 45 A I E -I 56 0B 48 11,-2.6 11,-2.3 -2,-0.2 2,-0.4 -0.859 32.0-123.3-138.7 176.0 -0.3 15.5 8.0 46 46 A M E -I 55 0B 116 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.995 24.3-175.1-126.7 125.5 0.7 18.3 10.4 47 47 A I E -I 54 0B 27 7,-2.4 7,-2.3 -2,-0.4 2,-0.3 -0.938 8.4-153.5-121.7 149.4 3.5 18.1 12.9 48 48 A G E +I 53 0B 41 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.832 26.3 136.0-122.6 154.9 4.5 20.6 15.6 49 49 A G E > -I 52 0B 18 3,-1.9 3,-2.1 -2,-0.3 100,-0.1 -0.802 65.7 -14.9-161.1-152.5 7.6 21.6 17.4 50 50 A I T 3 S+ 0 0 26 1,-0.3 101,-2.8 -2,-0.2 102,-0.7 -0.419 133.4 23.4 -62.7 135.5 9.4 24.8 18.4 51 51 A G T 3 S- 0 0 28 128,-0.5 -1,-0.3 100,-0.3 2,-0.2 0.466 121.4 -92.0 84.4 3.4 7.8 27.6 16.5 52 52 A G E < -I 49 0B 28 -3,-2.1 -3,-1.9 100,-0.1 2,-0.2 -0.627 67.5 -14.3 100.8-149.8 4.6 25.8 15.8 53 53 A F E -I 48 0B 140 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.656 39.8-174.2-108.9 150.1 3.2 23.5 13.0 54 54 A I E -I 47 0B 20 -7,-2.3 -7,-2.4 -2,-0.2 2,-0.4 -0.974 27.4-121.3-135.5 147.3 4.2 22.5 9.5 55 55 A K E +I 46 0B 140 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.756 39.0 174.8 -93.6 136.1 2.4 20.4 6.9 56 56 A V E -I 45 0B 3 -11,-2.3 -11,-2.6 -2,-0.4 2,-0.5 -0.912 33.3-111.5-139.4 159.0 4.4 17.4 5.7 57 57 A R E -IJ 44 77B 52 20,-3.3 20,-1.7 -2,-0.3 2,-0.7 -0.880 28.9-143.3 -98.6 124.8 4.0 14.3 3.5 58 58 A Q E -IJ 43 76B 32 -15,-2.8 -15,-1.2 -2,-0.5 2,-0.4 -0.820 18.4-176.9 -91.1 116.7 4.0 11.0 5.4 59 59 A Y E -IJ 42 75B 10 16,-2.3 16,-2.7 -2,-0.7 3,-0.3 -0.930 13.2-149.8-109.7 132.2 5.7 8.1 3.6 60 60 A D E + 0 0 72 -19,-0.6 14,-0.2 -2,-0.4 -19,-0.1 -0.660 65.8 19.6-103.5 160.1 5.7 4.6 5.2 61 61 A Q E S+ 0 0 166 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.910 76.6 168.1 54.7 52.1 8.1 1.7 5.1 62 62 A I E - J 0 73B 10 11,-2.9 11,-1.6 -3,-0.3 2,-0.3 -0.842 31.7-129.1 -97.8 129.5 11.1 3.7 4.0 63 63 A L E + J 0 72B 95 -2,-0.5 -47,-0.6 9,-0.2 2,-0.3 -0.603 31.7 174.1 -77.6 133.6 14.6 2.1 4.1 64 64 A I E -EJ 15 71B 1 7,-2.6 7,-2.3 -2,-0.3 2,-0.4 -0.942 18.3-158.6-131.2 157.8 17.4 4.1 5.8 65 65 A E E -EJ 14 70B 77 -51,-1.5 -51,-2.5 -2,-0.3 2,-0.5 -0.955 8.3-177.4-138.8 123.8 21.0 3.4 6.7 66 66 A I E > S-EJ 13 69B 0 3,-2.6 3,-2.3 -2,-0.4 -53,-0.2 -0.978 73.5 -26.3-122.0 115.3 22.9 5.3 9.4 67 67 A C T 3 S- 0 0 65 -55,-0.9 -1,-0.1 -2,-0.5 3,-0.1 0.869 129.2 -43.6 48.0 47.5 26.6 4.5 10.0 68 68 A G T 3 S+ 0 0 58 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.259 114.3 119.1 86.7 -12.2 26.2 0.9 8.7 69 69 A H E < - J 0 66B 69 -3,-2.3 -3,-2.6 24,-0.0 2,-0.2 -0.782 51.1-152.9 -92.4 120.1 22.9 0.3 10.6 70 70 A K E + J 0 65B 153 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.628 22.5 162.1 -87.4 144.9 19.9 -0.4 8.4 71 71 A A E - J 0 64B 7 -7,-2.3 -7,-2.6 -2,-0.2 2,-0.4 -0.958 24.9-145.5-150.8 169.3 16.3 0.4 9.5 72 72 A I E + J 0 63B 96 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.992 38.4 110.6-138.5 142.9 12.8 0.8 8.1 73 73 A G E - 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