==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 17-APR-97 2AID . COMPND 2 MOLECULE: HUMAN IMMUNODEFICIENCY VIRUS PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR E.E.RUTENBER,E.B.FAUMAN,R.J.KEENAN,R.M.STROUD . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 67.7 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 . 71 35.9 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 . 27 13.6 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 . 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 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 3 1 2 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,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 173.8 -1.6 8.0 34.5 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.991 360.0-164.3-117.4 126.7 2.2 7.4 34.1 3 3 A I E -A 197 0A 33 194,-2.9 194,-2.5 -2,-0.5 2,-0.1 -0.983 4.3-155.2-116.5 117.4 2.8 4.1 32.4 4 4 A T - 0 0 73 -2,-0.5 3,-0.4 192,-0.2 192,-0.1 -0.475 15.8-130.0 -83.5 169.9 6.4 2.8 32.7 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.007 79.2 102.5-121.4 27.4 7.7 0.4 29.9 6 6 A W S S+ 0 0 174 2,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.675 94.8 38.4 -77.4 -16.0 9.1 -2.6 31.8 7 7 A K S S- 0 0 173 -3,-0.4 0, 0.0 180,-0.0 0, 0.0 -0.898 111.1 -87.4-122.7 157.5 5.8 -4.3 30.8 8 8 A R - 0 0 138 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.367 42.6-116.9 -60.7 138.6 4.0 -3.8 27.3 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.5 -0.485 52.9 163.8 -81.4 74.4 1.7 -0.7 27.6 10 10 A L E +D 23 0B 81 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.798 10.5 178.0 -92.5 130.7 -1.5 -2.8 27.0 11 11 A V E -D 22 0B 14 11,-2.9 11,-2.4 -2,-0.5 2,-0.5 -0.890 31.9-110.5-134.8 153.4 -4.7 -0.9 28.0 12 12 A T E -D 21 0B 68 -2,-0.3 55,-1.9 9,-0.2 2,-0.3 -0.788 37.6-177.4 -87.7 131.3 -8.5 -1.7 27.9 13 13 A I E -DE 20 66B 2 7,-2.9 7,-2.4 -2,-0.5 2,-0.4 -0.872 16.2-143.2-118.1 160.3 -10.3 0.3 25.4 14 14 A R E +DE 19 65B 119 51,-2.1 51,-2.5 -2,-0.3 2,-0.3 -0.996 25.4 163.0-127.8 132.2 -14.0 0.3 24.6 15 15 A I E > S+DE 18 64B 2 3,-2.3 3,-2.3 -2,-0.4 49,-0.1 -0.995 70.7 1.5-146.9 131.0 -15.4 0.6 21.1 16 16 A G T 3 S- 0 0 69 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.825 130.1 -61.6 60.7 26.8 -18.9 -0.2 19.9 17 17 A G T 3 S+ 0 0 51 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.678 113.6 126.0 67.8 19.6 -19.7 -1.2 23.5 18 18 A Q E < -D 15 0B 110 -3,-2.3 -3,-2.3 2,-0.0 2,-0.4 -0.884 55.0-142.9-106.3 136.4 -16.9 -3.9 23.1 19 19 A L E +D 14 0B 125 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.867 30.4 164.9 -96.1 134.8 -14.1 -4.1 25.6 20 20 A K E -D 13 0B 53 -7,-2.4 -7,-2.9 -2,-0.4 2,-0.4 -0.960 37.1-118.9-142.5 160.6 -10.6 -5.0 24.0 21 21 A E E +D 12 0B 100 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.855 37.9 177.9 -99.7 136.0 -7.0 -4.8 25.1 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.9 -2,-0.4 2,-0.4 -0.977 26.9-117.1-142.0 149.1 -4.8 -2.6 22.8 23 23 A L E -Df 10 84B 14 60,-2.8 62,-3.1 -2,-0.3 2,-0.8 -0.767 20.0-130.7 -90.1 135.4 -1.1 -1.4 22.8 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.5 -2,-0.4 62,-0.1 -0.729 36.1-177.7 -80.9 110.2 -0.2 2.2 23.3 25 25 A D > - 0 0 14 60,-2.3 3,-1.8 -2,-0.8 62,-0.3 -0.778 26.9-178.4-126.2 96.5 2.2 2.5 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.5 98,-0.1 1,-0.3 -1,-0.1 0.660 85.6 63.9 -61.0 -19.5 4.0 5.8 19.7 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.474 88.3 81.8 -84.3 -3.2 5.7 4.2 16.6 28 28 A A < - 0 0 20 -3,-1.8 59,-3.2 57,-0.2 60,-0.2 -0.890 59.4-163.3-106.0 132.4 2.3 3.8 14.8 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.6 57,-0.3 2,-0.2 0.884 77.7 40.6 -76.6 -35.6 0.8 6.8 12.9 30 30 A D S S- 0 0 56 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.719 82.3-116.9-113.6 156.5 -2.6 5.1 12.8 31 31 A T - 0 0 3 43,-0.3 45,-2.1 -2,-0.2 2,-0.4 -0.855 35.3-175.5 -89.3 124.6 -4.8 3.0 15.1 32 32 A V E -gH 76 84B 8 52,-1.6 52,-3.1 -2,-0.5 2,-0.3 -0.987 2.3-167.9-130.6 131.9 -5.4 -0.5 13.6 33 33 A L E -g 77 0B 2 43,-2.6 45,-2.8 -2,-0.4 47,-0.2 -0.904 29.5 -97.1-119.9 148.6 -7.6 -3.1 15.2 34 34 A E - 0 0 83 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.214 68.7 -64.7 -55.3 146.6 -8.1 -6.8 14.6 35 35 A E S S+ 0 0 111 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.051 74.6 141.0 -39.2 130.3 -11.1 -7.7 12.4 36 36 A M - 0 0 23 -3,-0.1 2,-0.6 2,-0.0 -3,-0.1 -0.943 51.4-103.2-163.1 167.6 -14.5 -6.7 13.8 37 37 A N + 0 0 137 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.898 35.6 179.0-106.7 118.3 -17.7 -5.2 12.3 38 38 A L - 0 0 18 -2,-0.6 2,-0.1 2,-0.1 -2,-0.0 -0.942 34.4-108.5-115.0 147.3 -18.4 -1.5 12.8 39 39 A P S S+ 0 0 117 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.485 74.8 59.0 -60.6 135.7 -21.5 0.3 11.4 40 40 A G S S- 0 0 55 -2,-0.1 2,-0.3 19,-0.1 -2,-0.1 -0.531 86.4 -60.3 134.2 162.9 -20.6 2.6 8.6 41 41 A K - 0 0 194 -2,-0.2 19,-0.4 19,-0.1 2,-0.4 -0.672 51.7-162.8 -80.4 137.7 -19.1 3.2 5.2 42 42 A W - 0 0 109 -2,-0.3 17,-0.2 17,-0.1 -2,-0.1 -0.955 15.5-139.6-125.9 145.4 -15.4 2.3 5.0 43 43 A K E -I 58 0B 107 15,-1.6 15,-2.9 -2,-0.4 2,-0.3 -0.870 26.5-123.5 -92.1 132.4 -12.7 3.1 2.5 44 44 A P E +I 57 0B 74 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.615 38.5 178.2 -67.0 137.7 -10.3 0.2 1.5 45 45 A K E -I 56 0B 58 11,-2.6 11,-3.1 -2,-0.3 2,-0.5 -0.981 25.9-142.6-141.8 146.4 -6.8 1.3 2.3 46 46 A M E -I 55 0B 96 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.951 22.9-171.1-106.3 131.4 -3.4 -0.5 2.0 47 47 A I E -I 54 0B 23 7,-2.7 7,-3.3 -2,-0.5 2,-0.3 -0.963 11.7-140.6-123.4 146.7 -1.0 0.2 4.9 48 48 A G E +I 53 0B 55 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.816 26.0 160.2-104.7 143.6 2.7 -0.8 5.1 49 49 A G - 0 0 35 3,-2.8 3,-0.5 -2,-0.3 102,-0.1 -0.678 58.3 -69.9-137.7-165.3 4.5 -1.9 8.2 50 50 A I S S+ 0 0 56 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.888 128.0 43.7 -70.3 -40.0 7.9 -3.9 8.5 51 51 A G S S- 0 0 26 99,-1.7 2,-0.3 101,-0.4 100,-0.3 0.633 125.6 -81.8 -78.7 -11.0 6.9 -7.4 7.2 52 52 A G - 0 0 29 98,-1.0 -3,-2.8 -3,-0.5 2,-0.3 -0.987 63.6 -32.8 153.1-161.2 5.0 -5.8 4.3 53 53 A F E -I 48 0B 154 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.799 45.6-166.4 -91.7 137.8 1.7 -4.2 3.2 54 54 A I E -I 47 0B 19 -7,-3.3 -7,-2.7 -2,-0.3 2,-0.5 -0.883 20.7-125.1-117.6 162.3 -1.8 -5.2 4.8 55 55 A K E +I 46 0B 129 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.908 36.4 176.4-102.8 131.6 -5.2 -4.3 3.4 56 56 A V E -I 45 0B 2 -11,-3.1 -11,-2.6 -2,-0.5 2,-0.5 -0.867 30.7-122.2-132.4 160.6 -7.5 -2.5 6.0 57 57 A R E -IJ 44 77B 37 20,-2.1 20,-2.4 -2,-0.3 2,-0.6 -0.920 29.0-140.3-104.2 133.6 -11.0 -1.0 6.1 58 58 A Q E -IJ 43 76B 23 -15,-2.9 -15,-1.6 -2,-0.5 2,-0.4 -0.870 19.6-176.9-103.7 123.2 -11.0 2.6 7.1 59 59 A Y E - J 0 75B 7 16,-2.6 16,-2.5 -2,-0.6 3,-0.3 -0.958 12.0-154.1-116.0 130.7 -13.7 3.9 9.4 60 60 A D E + 0 0 84 -19,-0.4 14,-0.2 -2,-0.4 -19,-0.1 -0.767 66.4 17.0-107.2 158.8 -13.8 7.6 10.3 61 61 A Q E S+ 0 0 138 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.825 75.3 162.4 53.2 44.7 -15.2 9.4 13.4 62 62 A I E - J 0 73B 20 11,-2.5 11,-2.3 -3,-0.3 2,-0.4 -0.789 37.5-128.0 -89.2 127.7 -15.5 6.3 15.5 63 63 A P E + J 0 72B 73 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.652 32.8 177.1 -74.8 128.7 -15.8 7.0 19.3 64 64 A V E -EJ 15 71B 3 7,-2.6 7,-2.1 -2,-0.4 2,-0.6 -0.997 21.9-151.6-136.9 128.9 -13.3 5.1 21.4 65 65 A E E -EJ 14 70B 71 -51,-2.5 -51,-2.1 -2,-0.4 2,-0.6 -0.893 15.0-168.8-103.2 122.7 -12.7 5.3 25.1 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-1.7 -2,-0.6 -53,-0.2 -0.947 70.7 -29.5-117.1 111.9 -9.0 4.6 26.1 67 67 A C T 3 S- 0 0 57 -55,-1.9 -1,-0.2 -2,-0.6 -54,-0.1 0.910 129.8 -42.1 47.5 47.3 -8.4 4.0 29.8 68 68 A G T 3 S+ 0 0 53 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.653 117.3 113.4 79.4 11.9 -11.3 6.3 30.7 69 69 A H E < - J 0 66B 62 -3,-1.7 -3,-3.1 2,-0.0 2,-0.3 -0.962 60.5-135.0-119.6 125.6 -10.5 9.0 28.1 70 70 A K E + J 0 65B 119 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.617 26.7 171.7 -76.7 138.2 -12.8 9.6 25.1 71 71 A A E - J 0 64B 2 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.4 -0.941 18.0-158.8-138.9 157.2 -11.5 10.0 21.6 72 72 A I E + J 0 63B 75 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.952 43.4 103.5-137.1 116.9 -13.3 10.3 18.2 73 73 A G E - 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