==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-FEB-11 3QP0 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (B . AUTHOR I.LINDEMANN,A.HEINE,G.KLEBE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 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 . 74 37.4 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 . 13 6.6 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 0 4 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 80 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.0 0.4 4.1 -5.1 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.975 360.0-162.2-112.1 126.1 0.2 6.5 -2.2 3 3 A I E -A 197 0A 35 194,-3.1 194,-2.4 -2,-0.5 2,-0.1 -0.935 3.9-153.3-113.9 116.7 -0.9 10.0 -3.1 4 4 A T - 0 0 72 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.316 16.1-130.4 -78.6 171.2 -0.2 12.9 -0.8 5 5 A L S S+ 0 0 2 190,-0.3 186,-0.2 1,-0.2 185,-0.1 0.159 74.9 108.7-118.4 21.1 -2.4 16.0 -0.8 6 6 A W S S+ 0 0 208 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.846 93.6 25.2 -59.0 -35.4 0.2 18.8 -1.0 7 7 A K S S- 0 0 64 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.814 109.8 -73.6-122.4 165.8 -1.0 19.2 -4.6 8 8 A R - 0 0 136 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.383 50.7-118.8 -56.5 130.8 -4.2 18.5 -6.4 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.493 48.5 169.6 -78.9 78.9 -4.3 14.7 -6.9 10 10 A L E +D 23 0B 70 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.749 5.5 174.8 -93.2 136.6 -4.4 14.7 -10.7 11 11 A V E -D 22 0B 14 11,-2.9 11,-2.7 -2,-0.4 2,-0.4 -0.910 34.2-102.3-134.4 163.2 -3.9 11.4 -12.7 12 12 A T E -D 21 0B 87 -2,-0.3 55,-2.0 9,-0.2 2,-0.3 -0.725 39.2-174.3 -85.3 133.7 -4.0 10.3 -16.2 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.2 -2,-0.4 2,-0.5 -0.899 18.3-143.6-121.9 156.5 -7.1 8.5 -17.3 14 14 A K E +DE 19 65B 93 51,-2.2 51,-2.2 -2,-0.3 2,-0.3 -0.991 30.9 158.2-119.3 124.3 -8.0 6.7 -20.5 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.2 -2,-0.5 49,-0.1 -0.989 65.1 -3.5-147.5 132.5 -11.6 7.0 -21.6 16 16 A G T 3 S- 0 0 50 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.817 128.6 -57.9 56.5 30.2 -13.3 6.6 -25.0 17 17 A G T 3 S+ 0 0 60 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.575 117.3 110.4 77.0 10.0 -9.8 6.1 -26.5 18 18 A Q E < -D 15 0B 74 -3,-2.2 -3,-2.6 2,-0.0 2,-0.4 -0.872 63.5-133.2-116.1 149.6 -8.6 9.4 -25.3 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.867 33.2 167.9 -98.1 136.3 -6.1 10.4 -22.6 20 20 A K E -D 13 0B 32 -7,-2.2 -7,-3.0 -2,-0.4 2,-0.5 -0.947 35.9-117.5-140.4 159.4 -7.2 13.1 -20.1 21 21 A E E +D 12 0B 119 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.869 39.6 179.8 -96.0 133.7 -6.0 14.5 -16.8 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.9 -2,-0.5 2,-0.5 -0.973 26.3-121.8-140.7 153.3 -8.5 14.0 -14.0 23 23 A L E -Df 10 84B 10 60,-3.0 62,-3.1 -2,-0.3 2,-0.8 -0.788 20.4-131.6 -97.7 126.2 -8.8 14.9 -10.3 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.704 35.3-175.0 -77.1 111.3 -9.4 12.1 -7.7 25 25 A D > + 0 0 18 60,-2.8 3,-1.5 -2,-0.8 62,-0.3 -0.866 25.5 179.7-124.3 96.7 -12.2 13.7 -5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.664 85.1 63.2 -70.2 -16.2 -13.5 11.9 -2.7 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.546 88.7 83.1 -82.4 -8.8 -16.1 14.7 -2.3 28 28 A A < - 0 0 19 -3,-1.5 59,-2.9 57,-0.2 60,-0.2 -0.851 59.1-163.1-100.6 126.8 -17.8 13.9 -5.6 29 29 A D S S+ 0 0 47 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.868 78.2 37.1 -65.3 -37.6 -20.4 11.1 -5.7 30 30 A D S S- 0 0 54 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.687 81.9-112.9-120.7 164.3 -20.1 10.9 -9.5 31 31 A T - 0 0 0 43,-0.4 45,-2.7 -2,-0.2 2,-0.4 -0.844 31.2-172.8-100.5 128.7 -17.5 11.2 -12.2 32 32 A V E -gH 76 84B 9 52,-1.7 52,-3.1 -2,-0.4 2,-0.3 -0.992 1.5-173.4-130.9 128.7 -17.8 14.1 -14.6 33 33 A I E -g 77 0B 0 43,-3.0 45,-2.3 -2,-0.4 3,-0.2 -0.899 30.1-101.8-121.7 145.3 -15.7 14.6 -17.7 34 34 A E - 0 0 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.104 68.0 -55.4 -57.3 162.6 -15.4 17.6 -20.1 35 35 A E S S+ 0 0 100 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.130 79.7 135.2 -49.6 125.8 -17.3 17.4 -23.5 36 36 A M - 0 0 16 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.956 56.6 -88.8-163.5 160.6 -16.3 14.4 -25.5 37 37 A S + 0 0 106 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.606 43.0 175.3 -78.0 134.4 -18.0 11.7 -27.5 38 38 A L - 0 0 20 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.984 27.8-113.3-134.5 150.3 -19.2 8.5 -25.7 39 39 A P + 0 0 96 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.421 68.1 25.7 -80.1 155.8 -21.1 5.5 -27.1 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.254 93.4 -35.4 96.9-178.6 -24.6 4.5 -26.1 41 41 A R - 0 0 91 -2,-0.1 19,-0.6 19,-0.0 2,-0.3 -0.378 54.8-168.5 -76.5 158.2 -27.8 6.1 -24.8 42 42 A W E -I 59 0B 130 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.950 12.4-151.3-142.4 164.5 -27.7 9.0 -22.3 43 43 A K E -I 58 0B 113 15,-1.2 15,-3.1 -2,-0.3 2,-0.1 -0.990 28.8-107.5-137.1 144.9 -30.0 10.9 -20.1 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.424 39.3 172.4 -76.4 152.3 -29.8 14.5 -18.9 45 45 A K E -I 56 0B 74 11,-2.0 11,-2.9 -2,-0.1 2,-0.5 -0.978 26.4-135.2-151.0 150.7 -28.9 15.3 -15.3 46 46 A M E -I 55 0B 107 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.961 23.6-178.1-110.3 133.5 -28.1 18.4 -13.2 47 47 A I E +I 54 0B 25 7,-2.4 7,-2.7 -2,-0.5 2,-0.3 -0.951 11.8 157.9-125.0 152.1 -25.2 18.3 -10.8 48 48 A G E +I 53 0B 42 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.941 16.8 166.3-160.0 178.9 -24.0 21.1 -8.6 49 49 A G E > -I 52 0B 30 3,-1.8 3,-2.0 -2,-0.3 100,-0.1 -0.858 65.7 -26.7-172.7-152.0 -22.3 22.3 -5.5 50 50 A I T 3 S+ 0 0 37 1,-0.3 3,-0.1 -2,-0.3 99,-0.0 0.770 131.5 43.6 -55.5 -33.6 -21.0 25.5 -3.9 51 51 A G T 3 S- 0 0 19 1,-0.3 -1,-0.3 101,-0.1 2,-0.3 0.432 120.4 -88.6 -95.1 1.0 -20.5 27.4 -7.2 52 52 A G E < -I 49 0B 25 -3,-2.0 -3,-1.8 100,-0.1 99,-0.4 -0.788 50.1 -60.4 123.7-169.7 -23.8 26.5 -8.9 53 53 A F E -I 48 0B 141 98,-0.3 2,-0.3 -2,-0.3 -5,-0.3 -0.846 32.6-164.0-119.7 150.9 -25.1 23.7 -11.2 54 54 A I E -I 47 0B 20 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.4 -0.958 23.4-119.4-129.2 153.6 -24.3 22.5 -14.6 55 55 A K E +I 46 0B 138 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.778 38.1 176.3 -90.0 133.9 -26.3 20.3 -17.0 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.5 -0.856 30.6-118.7-132.6 164.2 -24.6 17.0 -18.0 57 57 A R E -IJ 44 77B 61 20,-2.6 20,-2.4 -2,-0.3 2,-0.7 -0.933 26.5-139.7-105.8 130.3 -25.3 13.9 -20.0 58 58 A Q E -IJ 43 76B 31 -15,-3.1 -15,-1.2 -2,-0.5 2,-0.4 -0.815 20.0-176.8 -95.3 115.5 -25.3 10.6 -18.1 59 59 A Y E -IJ 42 75B 15 16,-2.7 16,-2.9 -2,-0.7 3,-0.3 -0.930 12.9-150.8-108.9 132.4 -23.7 7.6 -19.9 60 60 A D E + 0 0 74 -19,-0.6 14,-0.2 -2,-0.4 -19,-0.0 -0.654 66.6 20.4-103.7 159.5 -23.8 4.2 -18.2 61 61 A Q E S+ 0 0 163 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.896 76.6 161.9 56.3 48.1 -21.5 1.3 -18.3 62 62 A I E - J 0 73B 12 11,-2.8 11,-1.9 -3,-0.3 2,-0.4 -0.849 34.3-133.4-100.3 131.7 -18.5 3.2 -19.6 63 63 A I E + J 0 72B 113 -2,-0.5 -47,-0.6 9,-0.2 2,-0.3 -0.695 28.5 176.4 -86.0 133.9 -15.0 1.7 -19.2 64 64 A I E -EJ 15 71B 1 7,-2.3 7,-2.5 -2,-0.4 2,-0.5 -0.973 23.8-145.9-132.5 149.4 -12.3 3.9 -17.8 65 65 A E E -EJ 14 70B 62 -51,-2.2 -51,-2.2 -2,-0.3 2,-0.6 -0.982 17.6-170.5-113.2 121.8 -8.7 3.2 -17.0 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.2 -2,-0.5 -53,-0.2 -0.951 73.9 -24.2-117.1 113.4 -7.5 5.3 -14.0 67 67 A C T 3 S- 0 0 60 -55,-2.0 -1,-0.2 -2,-0.6 -54,-0.1 0.867 129.0 -50.2 54.0 36.3 -3.8 5.2 -13.3 68 68 A G T 3 S+ 0 0 49 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.496 114.6 119.4 81.3 2.6 -3.7 1.8 -15.1 69 69 A H E < - J 0 66B 69 -3,-2.2 -3,-3.0 2,-0.0 2,-0.3 -0.907 57.8-138.1-103.6 124.3 -6.6 0.4 -13.1 70 70 A K E + J 0 65B 149 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.572 31.7 158.4 -83.9 140.2 -9.6 -0.6 -15.2 71 71 A A E - J 0 64B 12 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.3 -0.933 25.8-144.3-147.8 169.5 -13.1 0.1 -14.0 72 72 A I E + J 0 63B 85 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.995 38.5 107.3-138.9 142.7 -16.6 0.5 -15.4 73 73 A G E - 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