==== 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 20-JUN-07 2QD7 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.F.WANG,Y.TIE,P.I.BOROSS,J.TOZSER,A.K.GHOSH,R.W.HARRISON,I. . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 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 . 25 12.6 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 . 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 3 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 . 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 88 0, 0.0 198,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 163.2 13.4 14.0 29.9 2 2 A Q E -A 198 0A 133 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.984 360.0-154.8-117.0 125.8 16.9 14.1 28.5 3 3 A I E -A 197 0A 30 194,-3.0 194,-2.1 -2,-0.5 2,-0.0 -0.901 13.8-135.4-109.7 117.8 17.1 15.3 24.9 4 4 A T - 0 0 55 -2,-0.6 3,-0.1 192,-0.2 192,-0.1 -0.348 6.1-150.9 -70.8 155.1 20.1 14.1 22.9 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.1 -1,-0.1 0.298 78.2 93.1-107.6 7.3 22.2 16.4 20.6 6 6 A W S S+ 0 0 203 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.811 102.0 23.8 -60.8 -29.5 23.3 13.7 18.2 7 7 A K S S- 0 0 151 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.803 114.0 -69.0-126.7 167.2 20.2 14.8 16.2 8 8 A R - 0 0 133 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.388 50.8-117.0 -57.7 135.5 18.3 18.0 16.1 9 9 A P + 0 0 2 0, 0.0 15,-2.4 0, 0.0 2,-0.4 -0.422 52.7 166.1 -79.0 69.9 16.5 18.5 19.4 10 10 A L E +D 23 0B 86 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.696 8.4 171.1 -88.8 135.9 13.0 18.4 17.9 11 11 A V E -D 22 0B 13 11,-2.3 11,-2.6 -2,-0.4 2,-0.4 -0.907 37.3 -97.6-134.1 164.0 9.9 18.0 20.0 12 12 A T E -D 21 0B 63 -2,-0.3 55,-2.8 9,-0.2 56,-0.3 -0.713 40.7-174.3 -83.9 134.9 6.2 18.2 19.3 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.2 -2,-0.4 2,-0.4 -0.854 17.8-144.7-122.2 159.3 4.5 21.5 20.2 14 14 A K E +DE 19 65B 78 51,-2.2 51,-2.2 -2,-0.3 2,-0.3 -0.996 30.6 155.7-124.2 124.0 0.9 22.6 20.2 15 15 A I E > +DE 18 64B 1 3,-2.3 3,-2.0 -2,-0.4 49,-0.1 -0.990 66.3 0.8-148.7 135.3 0.1 26.2 19.2 16 16 A G T 3 S- 0 0 53 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.770 129.8 -58.7 59.4 26.5 -3.0 27.8 17.8 17 17 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.557 116.5 109.0 77.3 12.6 -4.7 24.4 17.9 18 18 A Q E < -D 15 0B 95 -3,-2.0 -3,-2.3 2,-0.0 2,-0.4 -0.932 64.2-131.6-122.3 143.6 -2.1 22.8 15.7 19 19 A L E +D 14 0B 125 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.783 34.8 166.4 -92.5 134.5 0.7 20.3 16.3 20 20 A K E -D 13 0B 23 -7,-2.2 -7,-3.1 -2,-0.4 2,-0.4 -0.927 36.0-117.0-138.4 160.8 4.1 21.2 14.9 21 21 A E E +D 12 0B 102 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.883 40.0 176.3 -99.1 139.5 7.7 20.0 15.4 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.3 -2,-0.4 2,-0.4 -0.986 29.5-111.0-145.4 152.4 10.1 22.6 16.8 23 23 A L E -Df 10 84B 17 60,-3.0 62,-3.3 -2,-0.3 2,-0.9 -0.657 19.9-134.3 -81.0 131.7 13.7 22.9 17.9 24 24 A L E - f 0 85B 1 -15,-2.4 2,-0.6 -2,-0.4 62,-0.1 -0.807 38.4-170.8 -79.8 106.4 14.6 23.4 21.6 25 25 A D > + 0 0 13 60,-2.8 3,-1.7 -2,-0.9 62,-0.3 -0.850 30.8 179.9-120.5 98.5 17.1 26.2 20.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.678 86.6 62.2 -65.4 -17.7 19.4 27.6 23.6 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.457 88.5 85.6 -85.9 -1.2 20.8 30.0 21.1 28 28 A A < - 0 0 14 -3,-1.7 59,-2.9 57,-0.2 60,-0.2 -0.891 54.1-168.4-105.6 121.9 17.5 31.7 20.5 29 29 A D S S+ 0 0 55 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.887 79.3 34.4 -66.7 -37.9 16.3 34.6 22.8 30 30 A D S S- 0 0 57 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.714 85.7-108.9-118.8 162.4 12.8 34.4 21.3 31 31 A T - 0 0 0 43,-0.5 45,-2.7 -2,-0.2 2,-0.4 -0.834 32.0-168.9 -96.9 129.8 10.5 31.8 19.9 32 32 A V E -gH 76 84B 5 52,-2.1 52,-3.1 -2,-0.4 2,-0.4 -0.990 1.9-170.6-128.7 123.2 9.9 31.8 16.2 33 33 A I E -g 77 0B 0 43,-3.0 45,-2.0 -2,-0.4 47,-0.2 -0.916 30.0-101.8-120.3 140.5 7.2 29.8 14.4 34 34 A E E -g 78 0B 81 -2,-0.4 -1,-0.0 43,-0.2 49,-0.0 -0.181 64.8 -64.5 -56.7 149.2 6.6 29.2 10.7 35 35 A E S S+ 0 0 103 43,-0.9 2,-0.3 45,-0.2 -1,-0.2 -0.015 72.3 151.6 -44.5 124.4 3.9 31.3 9.1 36 36 A M - 0 0 14 -3,-0.2 2,-1.6 2,-0.0 -3,-0.1 -0.975 52.0-106.7-154.8 153.4 0.5 30.5 10.5 37 37 A S + 0 0 114 -2,-0.3 -2,-0.1 -21,-0.1 0, 0.0 -0.451 43.8 176.4 -90.1 70.8 -2.7 32.4 10.9 38 38 A L - 0 0 15 -2,-1.6 2,-0.1 1,-0.1 -2,-0.0 -0.505 28.7-117.4 -67.9 139.2 -2.9 33.1 14.6 39 39 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.365 64.4 28.4 -76.2 159.0 -5.8 35.3 15.7 40 40 A G S S- 0 0 60 -2,-0.1 2,-0.1 19,-0.0 -2,-0.0 -0.228 91.0 -25.9 97.0-177.3 -5.6 38.7 17.3 41 41 A R + 0 0 239 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.341 54.1 175.2 -76.0 155.0 -3.4 41.7 17.5 42 42 A W - 0 0 125 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.940 23.2-131.0-151.4 165.5 0.3 41.7 16.8 43 43 A K E -I 58 0B 138 15,-1.9 15,-3.0 -2,-0.3 2,-0.1 -0.979 30.6-109.5-124.3 135.7 3.3 44.1 16.5 44 44 A P E +I 57 0B 98 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.362 43.0 171.0 -66.1 145.4 5.8 44.1 13.7 45 45 A K E -I 56 0B 76 11,-2.1 11,-2.8 -2,-0.1 2,-0.4 -0.979 25.4-146.5-147.5 154.2 9.4 43.0 14.5 46 46 A M E -I 55 0B 107 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 16.9-171.7-121.9 135.3 12.6 42.2 12.7 47 47 A I E -I 54 0B 24 7,-2.2 7,-2.5 -2,-0.4 2,-0.4 -0.964 8.8-148.3-128.2 148.2 15.0 39.5 14.0 48 48 A G E +I 53 0B 41 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.866 27.6 136.9-121.6 144.2 18.4 38.7 12.8 49 49 A G E > -I 52 0B 19 3,-2.4 3,-2.3 -2,-0.4 2,-0.1 -0.775 64.5 -20.6-155.1-157.2 20.7 35.7 12.4 50 50 A I T 3 S+ 0 0 17 1,-0.3 101,-2.2 -2,-0.2 102,-0.6 -0.448 132.6 22.0 -60.9 130.6 23.0 34.1 9.9 51 51 A G T 3 S- 0 0 32 128,-0.3 2,-0.3 100,-0.2 -1,-0.3 0.163 122.8 -83.8 95.5 -15.8 22.2 35.6 6.6 52 52 A G E < -I 49 0B 27 -3,-2.3 -3,-2.4 100,-0.2 2,-0.3 -0.865 67.1 -26.3 121.3-155.2 20.5 38.7 7.9 53 53 A F E -I 48 0B 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.669 38.9-160.7-106.2 153.0 17.0 39.7 9.1 54 54 A I E -I 47 0B 21 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.4 -0.948 24.3-118.0-126.1 153.6 13.5 38.5 8.6 55 55 A K E +I 46 0B 161 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.776 40.0 173.1 -88.1 129.9 10.2 40.3 9.2 56 56 A V E -I 45 0B 7 -11,-2.8 -11,-2.1 -2,-0.4 2,-0.5 -0.890 32.7-119.1-135.5 163.3 7.9 38.7 11.8 57 57 A R E -IJ 44 77B 45 20,-2.8 20,-2.5 -2,-0.3 2,-0.6 -0.930 26.3-141.6-102.2 123.9 4.7 39.3 13.7 58 58 A Q E -IJ 43 76B 39 -15,-3.0 -15,-1.9 -2,-0.5 2,-0.4 -0.815 19.1-175.6 -91.6 119.0 5.0 39.5 17.4 59 59 A Y E - J 0 75B 8 16,-2.8 16,-2.7 -2,-0.6 3,-0.4 -0.947 11.5-150.6-111.2 129.1 2.1 37.9 19.4 60 60 A D E + 0 0 87 -2,-0.4 14,-0.2 -19,-0.4 13,-0.1 -0.659 68.8 16.8-101.2 156.5 2.0 38.2 23.1 61 61 A Q E S+ 0 0 133 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.861 77.7 167.9 55.8 43.7 0.5 35.8 25.7 62 62 A I E - J 0 73B 28 11,-2.6 11,-2.3 -3,-0.4 2,-0.4 -0.753 33.8-129.3 -89.2 132.0 0.2 32.9 23.3 63 63 A I E + J 0 72B 122 -2,-0.4 -47,-0.6 9,-0.2 2,-0.3 -0.659 35.5 170.7 -82.3 130.5 -0.5 29.5 24.9 64 64 A I E -EJ 15 71B 0 7,-2.4 7,-1.3 -2,-0.4 2,-0.4 -0.964 25.1-150.4-147.6 127.0 1.9 26.8 23.7 65 65 A E E -EJ 14 70B 54 -51,-2.2 -51,-2.2 -2,-0.3 2,-0.5 -0.849 13.2-164.4 -98.4 132.4 2.5 23.3 24.9 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.4 -2,-0.4 -53,-0.2 -0.965 71.2 -30.3-122.7 109.5 6.0 22.0 24.5 67 67 A A T 3 S- 0 0 40 -55,-2.8 -1,-0.1 -2,-0.5 -54,-0.1 0.885 128.4 -45.5 47.0 43.7 6.5 18.2 24.7 68 68 A G T 3 S+ 0 0 47 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.398 116.2 115.9 87.7 -6.7 3.6 18.1 27.1 69 69 A H E < - J 0 66B 70 -3,-2.4 -3,-3.0 1,-0.0 -1,-0.2 -0.872 62.9-128.1-102.4 127.2 4.7 21.0 29.2 70 70 A K E + J 0 65B 172 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.467 33.4 167.2 -75.4 141.9 2.4 24.1 29.2 71 71 A A E - 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