==== 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 2O4S . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR A.A.ARMSTRONG,S.MUZAMMIL,A.JAKALIAN,P.R.BONNEAU,V.SCHMELMER, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 63.1 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 . 19 9.6 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 . 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 . 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 79 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.2 29.6 -4.0 -18.0 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.986 360.0-163.0-110.8 123.5 29.5 -6.3 -21.0 3 3 A I E -A 197 0A 32 194,-3.2 194,-2.7 -2,-0.5 2,-0.1 -0.928 2.9-153.9-113.4 120.7 28.6 -9.8 -20.1 4 4 A T - 0 0 71 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.353 16.1-129.5 -86.8 173.8 29.2 -12.7 -22.5 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.178 74.6 108.0-120.8 19.5 27.2 -15.8 -22.4 6 6 A W S S+ 0 0 180 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.826 94.6 25.9 -58.4 -33.8 29.7 -18.7 -22.3 7 7 A K S S- 0 0 152 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.798 110.4 -73.2-124.9 165.7 28.6 -19.1 -18.6 8 8 A R - 0 0 135 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.426 49.4-118.6 -59.9 131.6 25.4 -18.3 -16.8 9 9 A P + 0 0 5 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.526 49.6 169.2 -74.3 74.7 25.1 -14.5 -16.3 10 10 A L E +D 23 0B 72 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.762 5.0 172.5 -91.1 136.4 25.1 -14.6 -12.5 11 11 A V E -D 22 0B 15 11,-2.6 11,-2.4 -2,-0.4 2,-0.4 -0.913 35.0-101.6-137.3 163.6 25.5 -11.3 -10.6 12 12 A T E -D 21 0B 83 -2,-0.3 55,-2.0 9,-0.2 2,-0.3 -0.741 37.8-172.5 -87.6 135.0 25.4 -10.2 -7.0 13 13 A I E -DE 20 66B 1 7,-3.2 7,-2.2 -2,-0.4 2,-0.5 -0.838 16.6-142.7-118.3 158.5 22.2 -8.4 -5.9 14 14 A K E +DE 19 65B 109 51,-2.3 51,-1.9 -2,-0.3 2,-0.3 -0.995 32.1 156.6-122.7 123.8 21.4 -6.5 -2.7 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.3 -2,-0.5 49,-0.1 -0.986 63.2 -3.8-151.3 133.1 17.8 -6.9 -1.5 16 16 A G T 3 S- 0 0 52 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.829 129.3 -56.4 53.7 34.0 16.1 -6.5 1.9 17 17 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.522 117.0 112.0 77.7 8.7 19.6 -6.0 3.4 18 18 A Q E < -D 15 0B 82 -3,-2.3 -3,-2.6 2,-0.0 2,-0.4 -0.868 62.1-136.2-116.2 144.9 20.9 -9.3 2.0 19 19 A L E +D 14 0B 134 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.870 35.5 165.2 -93.9 134.6 23.5 -10.1 -0.7 20 20 A K E -D 13 0B 41 -7,-2.2 -7,-3.2 -2,-0.4 2,-0.4 -0.952 36.6-117.1-144.0 161.0 22.4 -12.9 -3.0 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.863 38.5 173.9-101.0 137.2 23.4 -14.3 -6.4 22 22 A A E -D 11 0B 1 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.5 -0.976 30.5-114.3-146.2 155.2 20.9 -14.1 -9.2 23 23 A L E -Df 10 84B 10 60,-3.0 62,-3.3 -2,-0.3 2,-0.8 -0.765 21.4-131.7 -95.2 127.1 20.6 -14.8 -12.9 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.710 36.6-172.4 -76.6 110.7 20.1 -12.0 -15.4 25 25 A D > + 0 0 15 60,-2.9 3,-1.8 -2,-0.8 62,-0.3 -0.841 29.6 177.8-125.5 95.8 17.3 -13.6 -17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.676 86.6 62.6 -68.2 -18.3 16.0 -12.0 -20.6 27 27 A G T 3 S+ 0 0 21 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.339 89.5 85.9 -87.6 5.9 13.5 -15.0 -20.9 28 28 A A < - 0 0 16 -3,-1.8 59,-3.1 57,-0.2 60,-0.2 -0.942 55.5-168.2-110.0 127.4 11.8 -14.0 -17.6 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.0 57,-0.2 2,-0.3 0.826 79.0 38.2 -70.6 -34.1 9.0 -11.4 -17.6 30 30 A D S S- 0 0 52 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.736 81.8-116.1-120.7 160.3 9.2 -11.3 -13.8 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.3 2,-0.4 -0.853 34.6-177.2 -97.8 127.3 11.8 -11.4 -11.0 32 32 A V E -gH 76 84B 6 52,-1.6 52,-3.0 -2,-0.5 2,-0.3 -0.992 3.3-171.3-133.7 127.0 11.5 -14.4 -8.7 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.5 -2,-0.4 47,-0.3 -0.845 30.2-100.4-115.7 150.6 13.6 -15.1 -5.7 34 34 A E S S- 0 0 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.178 72.0 -54.3 -55.3 158.5 14.0 -18.1 -3.4 35 35 A E S S+ 0 0 118 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.072 80.5 134.3 -48.1 131.1 12.2 -17.9 -0.1 36 36 A M - 0 0 16 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.951 53.6 -95.1-165.4 166.3 13.0 -14.8 1.9 37 37 A S + 0 0 99 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.727 37.1 178.7 -91.3 140.9 11.2 -12.1 3.9 38 38 A L - 0 0 18 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.975 28.2-108.4-137.0 153.8 10.3 -8.8 2.4 39 39 A P S S+ 0 0 94 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.417 70.6 19.7 -80.5 156.0 8.5 -5.8 3.9 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.326 95.7 -24.4 92.1-169.3 4.9 -4.7 3.1 41 41 A R - 0 0 234 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.410 54.7-178.2 -82.3 155.1 1.8 -6.2 1.5 42 42 A W E -I 59 0B 130 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.965 13.2-154.7-147.5 161.0 1.8 -9.1 -0.9 43 43 A K E -I 58 0B 111 15,-1.4 15,-2.9 -2,-0.3 2,-0.1 -0.973 30.8-102.6-135.0 149.1 -0.7 -11.1 -2.9 44 44 A P E +I 57 0B 79 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.383 40.2 177.8 -74.2 154.9 -0.5 -14.7 -4.1 45 45 A K E -I 56 0B 74 11,-2.1 11,-3.0 -2,-0.1 2,-0.5 -0.984 22.2-138.8-150.0 148.4 0.3 -15.4 -7.8 46 46 A M E -I 55 0B 107 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.955 18.1-173.3-107.6 132.6 0.9 -18.5 -10.0 47 47 A I E -I 54 0B 19 7,-2.4 7,-2.5 -2,-0.5 2,-0.4 -0.973 6.4-170.9-121.0 142.0 3.6 -18.5 -12.6 48 48 A G E +I 53 0B 40 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.969 22.4 119.6-131.9 149.7 4.1 -21.3 -15.0 49 49 A G E > +I 52 0B 25 3,-2.2 3,-2.2 -2,-0.4 2,-0.2 -0.675 66.0 9.3-163.3-137.1 6.6 -22.4 -17.6 50 50 A I T 3 S+ 0 0 22 1,-0.3 101,-2.2 -2,-0.2 102,-0.6 -0.405 133.5 12.9 -61.1 124.2 8.9 -25.4 -18.3 51 51 A G T 3 S- 0 0 35 128,-0.3 -1,-0.3 100,-0.2 2,-0.2 0.441 122.2 -87.1 85.2 -0.5 7.9 -28.1 -15.9 52 52 A G E < -I 49 0B 26 -3,-2.2 -3,-2.2 100,-0.1 2,-0.3 -0.673 64.7 -25.0 109.3-152.3 4.6 -26.4 -14.8 53 53 A F E -I 48 0B 145 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.755 36.8-170.5-114.3 145.0 3.5 -23.9 -12.2 54 54 A I E -I 47 0B 20 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.4 -0.943 24.8-123.1-126.2 155.0 4.6 -22.7 -8.8 55 55 A K E +I 46 0B 141 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.814 36.4 174.3 -94.9 135.1 2.8 -20.4 -6.3 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.5 -0.852 32.0-115.3-134.2 166.1 4.7 -17.3 -5.3 57 57 A R E -IJ 44 77B 49 20,-2.5 20,-2.1 -2,-0.3 2,-0.7 -0.925 27.6-142.4-105.1 130.6 4.1 -14.1 -3.2 58 58 A Q E -IJ 43 76B 28 -15,-2.9 -15,-1.4 -2,-0.5 2,-0.5 -0.855 17.3-175.0 -99.2 117.2 4.1 -10.9 -5.1 59 59 A Y E -IJ 42 75B 10 16,-2.6 16,-3.0 -2,-0.7 3,-0.3 -0.951 12.2-152.2-108.1 128.5 5.7 -7.9 -3.4 60 60 A D E + 0 0 69 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.601 67.2 19.3 -98.8 155.4 5.4 -4.5 -5.2 61 61 A Q E S+ 0 0 165 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.902 78.0 165.9 58.6 49.8 7.7 -1.4 -5.0 62 62 A I E - J 0 73B 10 11,-2.6 11,-1.6 -3,-0.3 2,-0.4 -0.847 33.6-130.4-100.0 130.8 10.7 -3.3 -3.7 63 63 A L E + J 0 72B 132 -2,-0.5 -47,-0.6 9,-0.2 2,-0.3 -0.663 33.5 170.7 -81.4 130.6 14.2 -1.7 -3.8 64 64 A I E -EJ 15 71B 6 7,-2.1 7,-2.5 -2,-0.4 2,-0.4 -0.953 25.1-148.9-135.4 152.7 16.9 -3.8 -5.3 65 65 A E E -EJ 14 70B 57 -51,-1.9 -51,-2.3 -2,-0.3 2,-0.5 -0.999 14.9-172.1-123.6 126.6 20.5 -3.1 -6.3 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.4 -2,-0.4 -53,-0.2 -0.970 72.7 -24.4-124.5 114.9 21.9 -5.2 -9.2 67 67 A C T 3 S- 0 0 54 -55,-2.0 -1,-0.2 -2,-0.5 -54,-0.1 0.882 128.6 -48.9 49.4 40.6 25.6 -4.9 -10.0 68 68 A G T 3 S+ 0 0 56 -56,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.483 115.3 118.2 78.8 1.9 25.6 -1.5 -8.3 69 69 A H E < - J 0 66B 67 -3,-2.4 -3,-2.9 2,-0.0 -1,-0.2 -0.911 56.1-142.7-104.9 122.0 22.6 -0.3 -10.2 70 70 A K E + J 0 65B 165 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.518 29.4 155.9 -81.9 148.6 19.6 0.7 -8.1 71 71 A A E - J 0 64B 14 -7,-2.5 -7,-2.1 -2,-0.2 2,-0.3 -0.943 29.3-138.4-156.2 175.7 16.0 -0.0 -9.1 72 72 A I E + J 0 63B 81 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.990 40.2 109.1-140.4 140.1 12.5 -0.6 -7.9 73 73 A G E - 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