==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 11-APR-97 1MES . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.ALA,C.-H.CHANG . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 38.4 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 . 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 2 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 0 PARALLEL BRIDGES PER LADDER . 3 0 5 0 0 2 2 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 83 0, 0.0 198,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.4 -12.7 39.4 30.0 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.862 360.0-164.6-100.4 139.2 -14.5 37.8 27.1 3 3 A V E -A 197 0A 28 194,-3.3 194,-2.8 -2,-0.4 2,-0.2 -0.983 8.3-151.1-124.7 126.5 -12.5 35.3 25.1 4 4 A T E -A 196 0A 64 -2,-0.5 3,-0.4 192,-0.2 192,-0.1 -0.537 22.6-124.1 -83.7 167.7 -13.4 34.0 21.7 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.024 77.8 108.4-107.9 25.9 -12.3 30.6 20.8 6 6 A W S S+ 0 0 181 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.800 91.6 27.4 -71.4 -24.6 -10.3 31.1 17.7 7 7 A Q S S- 0 0 142 -3,-0.4 0, 0.0 3,-0.0 0, 0.0 -0.878 109.8 -77.5-127.2 168.3 -7.2 30.4 19.7 8 8 A R - 0 0 111 -2,-0.3 2,-1.5 1,-0.1 119,-0.1 -0.401 48.7-117.3 -61.8 135.9 -6.8 28.3 22.7 9 9 A P + 0 0 6 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.606 47.4 172.4 -80.3 90.9 -8.0 30.1 25.8 10 10 A L E -D 23 0B 86 -2,-1.5 2,-0.3 13,-0.2 13,-0.2 -0.804 7.6-179.5 -99.5 140.2 -4.8 30.4 27.8 11 11 A V E -D 22 0B 17 11,-2.9 11,-2.3 -2,-0.4 2,-0.5 -0.927 29.3-110.3-128.2 163.8 -4.3 32.4 31.0 12 12 A T E -D 21 0B 83 -2,-0.3 55,-2.3 9,-0.2 2,-0.4 -0.773 34.6-173.2 -87.8 130.6 -1.6 33.2 33.4 13 13 A I E -DE 20 66B 1 7,-2.6 7,-2.4 -2,-0.5 2,-0.5 -0.920 16.4-150.1-116.5 148.9 -1.8 31.7 36.9 14 14 A K E +DE 19 65B 63 51,-2.5 51,-2.3 -2,-0.4 2,-0.4 -0.987 28.1 162.7-112.7 128.5 0.2 32.3 39.9 15 15 A I E > -DE 18 64B 0 3,-2.7 3,-2.5 -2,-0.5 49,-0.1 -0.990 62.9 -7.3-145.3 132.5 0.4 29.3 42.2 16 16 A G T 3 S- 0 0 45 47,-0.6 3,-0.1 -2,-0.4 21,-0.1 0.856 127.7 -55.2 57.2 36.2 2.8 28.5 44.9 17 17 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.480 117.7 107.4 76.3 -1.0 5.0 31.5 44.1 18 18 A Q E < -D 15 0B 66 -3,-2.5 -3,-2.7 2,-0.0 2,-0.5 -0.828 63.6-132.6-117.8 155.1 5.4 30.4 40.5 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.892 33.3 162.6-108.8 130.4 3.9 31.7 37.3 20 20 A K E -D 13 0B 50 -7,-2.4 -7,-2.6 -2,-0.5 2,-0.4 -0.869 33.6-124.8-135.3 166.4 2.4 29.4 34.7 21 21 A E E +D 12 0B 118 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.916 32.8 179.6-112.4 149.0 0.1 29.4 31.7 22 22 A A E -D 11 0B 2 -11,-2.3 -11,-2.9 -2,-0.4 2,-0.4 -0.982 26.8-113.5-149.0 153.5 -3.0 27.3 31.7 23 23 A L E -Df 10 84B 7 60,-2.7 62,-3.1 -2,-0.3 2,-0.7 -0.727 24.4-127.7 -88.8 138.0 -6.0 26.4 29.5 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.4 62,-0.1 -0.757 35.9-173.0 -81.8 117.1 -9.5 27.4 30.5 25 25 A D > - 0 0 20 60,-2.8 3,-1.9 -2,-0.7 62,-0.3 -0.789 25.2-179.4-125.5 95.1 -11.2 24.0 30.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.677 83.9 63.0 -65.6 -13.2 -14.9 23.7 30.4 27 27 A G T 3 S+ 0 0 11 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.592 87.6 83.5 -84.0 -8.3 -14.7 20.0 29.8 28 28 A A < - 0 0 18 -3,-1.9 59,-3.1 57,-0.2 60,-0.2 -0.819 59.9-161.6 -98.5 128.0 -12.7 19.3 32.9 29 29 A D S S+ 0 0 67 -2,-0.5 59,-2.1 57,-0.2 2,-0.2 0.900 78.2 26.5 -69.4 -36.4 -14.5 19.0 36.2 30 30 A D S S- 0 0 54 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.699 87.4-100.7-121.7 169.1 -11.3 19.6 38.2 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.4 -2,-0.2 2,-0.4 -0.784 34.9-177.3 -94.5 134.1 -8.0 21.4 37.8 32 32 A V E -gH 76 84B 6 52,-1.7 52,-2.7 -2,-0.4 2,-0.3 -0.997 1.2-173.9-137.3 132.2 -4.9 19.4 36.9 33 33 A L E -g 77 0B 2 43,-2.5 45,-2.8 -2,-0.4 47,-0.2 -0.874 29.8 -99.7-123.4 152.3 -1.4 20.8 36.5 34 34 A E - 0 0 91 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.139 66.0 -63.0 -59.9 161.4 1.9 19.4 35.4 35 35 A E S S+ 0 0 88 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.289 74.4 143.7 -49.7 128.0 4.4 18.3 38.0 36 36 A M - 0 0 17 -3,-0.1 2,-0.7 2,-0.0 -3,-0.1 -0.941 53.8 -85.0-162.3 162.2 5.6 21.2 40.0 37 37 A S + 0 0 90 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.686 44.6 168.4 -88.1 118.9 6.5 21.7 43.6 38 38 A L - 0 0 20 -2,-0.7 2,-0.4 2,-0.1 -2,-0.0 -0.914 31.9-122.6-113.5 150.9 3.7 22.3 46.1 39 39 A P + 0 0 110 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 -0.725 62.6 7.8 -85.6 142.2 4.3 22.2 49.8 40 40 A G S S+ 0 0 60 -2,-0.4 2,-0.2 19,-0.0 -2,-0.1 -0.677 89.2 1.7 114.8-155.6 2.4 19.9 51.9 41 41 A R + 0 0 109 -2,-0.3 19,-0.3 19,-0.1 2,-0.3 -0.572 50.1 165.0 -88.9 148.1 -0.1 17.2 52.1 42 42 A W - 0 0 109 -2,-0.2 17,-0.2 17,-0.1 34,-0.1 -0.943 24.9-138.6-146.7 171.7 -1.6 15.4 49.2 43 43 A K E -I 58 0B 99 15,-2.0 15,-3.6 -2,-0.3 2,-0.2 -0.937 29.1-110.7-123.4 149.9 -3.6 12.3 48.5 44 44 A P E +I 57 0B 85 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.563 42.9 168.4 -70.9 150.6 -3.1 9.9 45.5 45 45 A K E -I 56 0B 78 11,-2.4 11,-3.4 -2,-0.2 2,-0.4 -0.951 25.7-140.7-151.8 165.5 -5.9 9.9 43.0 46 46 A M E -I 55 0B 120 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -1.000 17.4-171.4-132.4 134.4 -6.5 8.6 39.4 47 47 A I E -I 54 0B 32 7,-2.4 7,-2.8 -2,-0.4 2,-0.4 -0.921 15.8-133.0-125.0 153.4 -8.3 10.4 36.8 48 48 A G E +I 53 0B 45 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.865 28.7 164.7-110.1 140.7 -9.4 9.3 33.4 49 49 A G E > -I 52 0B 20 3,-3.7 3,-1.3 -2,-0.4 2,-0.4 -0.658 53.5 -61.2-128.5-173.7 -9.0 11.2 30.2 50 50 A I T 3 S+ 0 0 33 1,-0.2 102,-0.7 -2,-0.2 99,-0.3 -0.652 130.0 27.4 -67.3 130.1 -9.1 10.6 26.5 51 51 A G B 3 S-K 151 0C 29 -2,-0.4 2,-0.4 128,-0.3 -1,-0.2 0.184 126.9 -68.2 102.7 -24.7 -6.5 8.0 26.1 52 52 A G E < -I 49 0B 25 -3,-1.3 -3,-3.7 98,-0.5 2,-0.3 -0.981 66.3 -39.0 139.5-153.9 -6.6 6.5 29.6 53 53 A F E -I 48 0B 144 -2,-0.4 2,-0.4 98,-0.3 -5,-0.2 -0.861 35.1-163.9-119.7 150.3 -5.9 7.2 33.2 54 54 A I E -I 47 0B 20 -7,-2.8 -7,-2.4 -2,-0.3 2,-0.4 -0.973 20.9-126.9-127.7 154.9 -3.3 8.9 35.1 55 55 A K E +I 46 0B 109 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.779 38.3 174.3 -92.7 139.6 -2.3 8.9 38.8 56 56 A V E -I 45 0B 2 -11,-3.4 -11,-2.4 -2,-0.4 2,-0.6 -0.905 31.7-114.4-140.5 161.5 -2.2 12.3 40.2 57 57 A R E -IJ 44 77B 58 20,-2.7 20,-2.6 -2,-0.3 2,-0.5 -0.926 25.1-146.0-104.3 127.5 -1.7 13.9 43.6 58 58 A Q E -IJ 43 76B 32 -15,-3.6 -15,-2.0 -2,-0.6 2,-0.4 -0.789 16.0-177.0 -89.5 126.6 -4.6 15.8 45.1 59 59 A Y E - J 0 75B 10 16,-2.7 16,-2.2 -2,-0.5 3,-0.3 -0.969 14.8-148.2-118.9 134.7 -3.9 18.9 47.2 60 60 A D E + 0 0 57 -2,-0.4 14,-0.2 -19,-0.3 -19,-0.1 -0.694 67.9 18.6-103.1 160.9 -6.7 20.7 48.9 61 61 A Q E S+ 0 0 153 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.846 75.5 164.3 54.4 42.8 -7.2 24.3 49.7 62 62 A I E - J 0 73B 23 11,-3.4 11,-1.9 -3,-0.3 2,-0.4 -0.807 33.6-133.1 -92.6 128.8 -4.6 25.6 47.3 63 63 A L E + J 0 72B 75 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.640 28.1 178.9 -75.1 131.7 -4.7 29.3 46.5 64 64 A I E -EJ 15 71B 0 7,-3.0 7,-2.8 -2,-0.4 2,-0.5 -0.978 20.5-149.5-129.0 146.7 -4.4 30.1 42.8 65 65 A E E -EJ 14 70B 51 -51,-2.3 -51,-2.5 -2,-0.4 2,-0.5 -0.990 15.7-173.4-112.5 123.9 -4.5 33.5 41.1 66 66 A I E > -EJ 13 69B 0 3,-2.8 3,-1.8 -2,-0.5 -53,-0.2 -0.980 68.9 -34.8-122.0 118.3 -6.0 33.3 37.6 67 67 A C T 3 S- 0 0 63 -55,-2.3 -53,-0.1 -2,-0.5 -56,-0.0 -0.430 127.5 -35.1 51.6-137.6 -5.8 36.5 35.8 68 68 A G T 3 S+ 0 0 73 -3,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.035 119.2 102.0-100.0 34.9 -6.3 38.9 38.7 69 69 A H E < - J 0 66B 66 -3,-1.8 -3,-2.8 2,-0.0 2,-0.4 -0.927 60.1-145.4-119.5 134.0 -8.7 36.7 40.6 70 70 A K E + J 0 65B 138 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.780 22.5 169.9 -99.3 146.2 -7.9 34.6 43.6 71 71 A A E - J 0 64B 4 -7,-2.8 -7,-3.0 -2,-0.4 2,-0.4 -0.956 19.8-149.5-143.6 159.1 -9.5 31.3 44.2 72 72 A I E + J 0 63B 72 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.992 39.9 109.5-129.2 141.3 -8.8 28.4 46.6 73 73 A G E - J 0 62B 15 -11,-1.9 -11,-3.4 -2,-0.4 2,-0.3 -0.983 63.9 -48.4 179.7-169.8 -9.5 24.8 45.8 74 74 A T E - 0 0 41 -2,-0.3 -43,-0.5 -14,-0.2 2,-0.4 -0.686 44.7-169.9 -83.8 135.8 -8.3 21.4 45.1 75 75 A V E -gJ 31 59B 0 -16,-2.2 -16,-2.7 -2,-0.3 2,-0.5 -0.980 12.5-147.7-123.3 145.4 -5.6 21.0 42.5 76 76 A L E -gJ 32 58B 1 -45,-2.4 -43,-2.5 -2,-0.4 2,-0.4 -0.925 14.1-160.4-103.9 130.8 -4.5 17.7 41.1 77 77 A V E +gJ 33 57B 0 -20,-2.6 -20,-2.7 -2,-0.5 -43,-0.2 -0.910 34.1 109.2-110.3 144.1 -0.8 17.7 40.1 78 78 A G S S- 0 0 0 -45,-2.8 2,-2.3 -2,-0.4 -43,-0.4 -0.993 73.6 -46.8 175.2-177.3 0.4 15.1 37.6 79 79 A P + 0 0 72 0, 0.0 72,-0.4 0, 0.0 -45,-0.1 -0.388 69.1 144.6 -78.7 68.7 1.7 14.1 34.2 80 80 A T - 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