==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEINASE 01-NOV-96 1DMP . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.-H.CHANG . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9512.0 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 . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.4 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 . 29 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 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 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 RESIDUES PER ALPHA HELIX . 0 3 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 4 0 0 2 3 1 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,-1.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 176.6 -12.9 39.2 29.9 2 2 A Q E -A 198 0A 138 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.884 360.0-163.1-100.5 115.1 -14.5 37.6 26.8 3 3 A V E -A 197 0A 26 194,-4.0 194,-2.7 -2,-0.7 2,-0.2 -0.835 2.6-157.3 -98.7 122.6 -12.4 34.9 25.3 4 4 A T - 0 0 52 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.518 20.0-126.7 -83.5 174.7 -13.2 33.9 21.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.115 78.6 104.4-119.3 24.1 -12.1 30.4 20.8 6 6 A W S S+ 0 0 170 1,-0.1 2,-0.4 184,-0.1 -1,-0.2 0.793 94.1 32.2 -67.9 -26.0 -10.0 30.9 17.7 7 7 A Q S S- 0 0 107 -3,-0.3 -1,-0.1 3,-0.0 3,-0.0 -0.967 108.0 -85.7-132.5 148.0 -7.1 30.3 19.8 8 8 A R - 0 0 101 -2,-0.4 2,-1.2 1,-0.1 119,-0.1 -0.295 49.6-116.2 -50.9 133.1 -6.7 28.1 22.9 9 9 A P + 0 0 2 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.637 46.2 173.2 -79.2 99.4 -7.9 30.1 25.9 10 10 A L E +D 23 0B 84 -2,-1.2 2,-0.3 13,-0.2 13,-0.2 -0.782 9.4 178.6-108.4 160.0 -4.8 30.5 28.0 11 11 A V E -D 22 0B 11 11,-1.5 11,-2.3 -2,-0.3 2,-0.5 -0.914 31.1-108.5-147.1 155.0 -4.4 32.6 31.1 12 12 A T E -D 21 0B 76 -2,-0.3 55,-2.1 9,-0.2 2,-0.4 -0.838 33.3-167.9 -90.4 135.7 -1.6 33.1 33.4 13 13 A I E -DE 20 66B 2 7,-2.2 7,-3.2 -2,-0.5 2,-0.5 -0.904 14.1-149.7-115.4 150.9 -1.8 31.6 36.9 14 14 A K E +DE 19 65B 98 51,-2.9 51,-2.7 -2,-0.4 2,-0.3 -0.984 25.8 166.5-115.3 137.9 0.2 32.2 39.9 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-1.1 -2,-0.5 49,-0.1 -0.869 65.3 -14.0-157.4 107.3 0.5 29.2 42.2 16 16 A G T 3 S- 0 0 52 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.966 127.7 -51.4 57.3 52.6 2.9 28.8 45.0 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.433 116.9 114.1 64.5 7.7 5.1 31.6 43.9 18 18 A Q E < -D 15 0B 63 -3,-1.1 -3,-2.4 2,-0.0 2,-0.5 -0.827 59.3-140.5-112.5 146.5 5.3 30.2 40.4 19 19 A L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.912 31.6 163.2-104.6 128.7 3.9 31.8 37.3 20 20 A K E -D 13 0B 60 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.4 -0.841 34.4-127.3-132.2 174.0 2.3 29.4 34.8 21 21 A E E -D 12 0B 116 -2,-0.3 62,-0.4 -9,-0.3 2,-0.3 -0.957 32.6-179.5-117.2 144.8 0.0 29.5 31.8 22 22 A A E -D 11 0B 1 -11,-2.3 -11,-1.5 -2,-0.4 2,-0.3 -0.976 28.0-110.8-147.6 152.7 -3.0 27.2 31.8 23 23 A L E -Df 10 84B 3 60,-3.1 62,-2.4 -2,-0.3 2,-0.9 -0.620 25.8-129.5 -85.1 138.9 -6.0 26.3 29.5 24 24 A L E - f 0 85B 3 -15,-2.6 2,-0.6 -2,-0.3 62,-0.2 -0.786 36.6-172.5 -89.6 115.7 -9.4 27.4 30.5 25 25 A D > + 0 0 15 60,-3.2 3,-0.8 -2,-0.9 62,-0.2 -0.889 28.3 179.8-124.5 112.1 -11.2 24.1 30.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.2 1,-0.2 -1,-0.1 0.577 86.4 56.6 -80.2 -11.9 -15.0 23.6 30.5 27 27 A G T 3 S+ 0 0 13 96,-0.1 2,-0.5 81,-0.1 -1,-0.2 0.461 90.1 88.8 -92.6 1.2 -14.9 19.9 29.8 28 28 A A < - 0 0 15 -3,-0.8 59,-2.8 57,-0.2 60,-0.2 -0.832 54.3-169.6-105.0 128.1 -12.5 19.3 32.7 29 29 A D S S+ 0 0 58 -2,-0.5 59,-1.1 57,-0.2 2,-0.3 0.792 74.8 43.9 -82.2 -22.1 -14.1 18.7 35.9 30 30 A D S S- 0 0 43 57,-0.1 2,-0.4 58,-0.1 57,-0.1 -0.834 82.3-119.5-122.8 144.3 -10.7 18.9 37.7 31 31 A T E -g 75 0B 0 43,-0.6 45,-1.4 -2,-0.3 2,-0.4 -0.761 32.4-168.2 -78.7 133.3 -7.8 21.3 37.5 32 32 A V E -gH 76 84B 4 52,-2.0 52,-2.5 -2,-0.4 2,-0.4 -0.997 4.5-172.6-130.2 127.8 -4.6 19.4 36.5 33 33 A L E -g 77 0B 0 43,-2.3 45,-2.4 -2,-0.4 3,-0.1 -0.932 28.2-114.0-115.4 138.2 -1.2 21.0 36.7 34 34 A E E -g 78 0B 77 -2,-0.4 49,-0.0 43,-0.2 50,-0.0 -0.401 66.0 -51.1 -63.4 153.9 1.9 19.5 35.4 35 35 A E S S+ 0 0 96 43,-0.6 2,-0.3 45,-0.1 -1,-0.2 0.176 72.4 155.1 -31.4 131.3 4.5 18.6 38.1 36 36 A M - 0 0 14 -3,-0.1 2,-0.9 2,-0.1 -3,-0.0 -0.969 50.1 -98.4-158.2 151.2 5.3 21.2 40.4 37 37 A S + 0 0 95 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.789 47.2 167.1 -78.3 108.1 6.7 21.7 43.9 38 38 A L - 0 0 13 -2,-0.9 2,-0.5 2,-0.1 -2,-0.1 -0.946 38.9-118.4-115.4 141.7 3.7 22.3 46.0 39 39 A P - 0 0 114 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.705 60.4 -20.2 -83.9 128.8 4.3 22.0 49.6 40 40 A G S S+ 0 0 48 -2,-0.5 2,-0.2 19,-0.1 -2,-0.1 -0.949 81.3 28.9 158.6 177.9 2.3 19.2 51.2 41 41 A R + 0 0 130 -2,-0.3 19,-0.4 19,-0.1 2,-0.3 -0.477 48.9 159.2 74.7 73.5 0.1 17.0 51.9 42 42 A W - 0 0 111 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.982 27.0-143.4-154.2 153.3 -1.5 15.3 49.0 43 43 A K E -I 58 0B 94 15,-2.2 15,-3.6 -2,-0.3 2,-0.1 -0.757 31.1-106.4-106.7 162.1 -3.3 12.1 48.5 44 44 A P E +I 57 0B 83 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.495 42.5 165.9 -81.6 169.5 -3.1 10.0 45.3 45 45 A K E -I 56 0B 77 11,-1.6 11,-3.5 -2,-0.1 2,-0.4 -0.926 25.8-139.8-168.6 156.7 -5.9 9.9 42.8 46 46 A M E -I 55 0B 104 -2,-0.3 2,-0.3 9,-0.3 9,-0.3 -0.990 17.1-171.8-124.9 138.8 -6.4 8.7 39.2 47 47 A I E -I 54 0B 17 7,-2.5 7,-2.3 -2,-0.4 2,-0.3 -0.833 18.4-127.3-116.7 165.0 -8.4 10.6 36.7 48 48 A G E +I 53 0B 46 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.819 30.2 165.9-105.9 156.0 -9.4 9.5 33.3 49 49 A G E > -I 52 0B 26 3,-2.3 3,-1.1 -2,-0.3 2,-0.8 -0.574 55.4 -36.7-140.2-150.2 -8.9 11.4 30.1 50 50 A I T 3 S- 0 0 21 1,-0.3 99,-0.6 -2,-0.2 102,-0.5 -0.660 129.7 -9.0 -85.7 119.0 -9.0 10.7 26.5 51 51 A G T 3 S+ 0 0 34 -2,-0.8 -1,-0.3 100,-0.1 98,-0.1 0.953 126.1 20.3 55.8 54.9 -7.6 7.3 26.2 52 52 A G E < -I 49 0B 28 -3,-1.1 -3,-2.3 99,-0.1 2,-0.4 -0.421 65.4 -99.8 144.1 160.7 -6.4 6.7 29.6 53 53 A F E -I 48 0B 153 -5,-0.2 2,-0.4 98,-0.2 -5,-0.2 -0.782 28.9-161.1 -95.4 141.4 -6.0 7.1 33.3 54 54 A I E -I 47 0B 19 -7,-2.3 -7,-2.5 -2,-0.4 2,-0.4 -0.968 19.8-126.9-121.9 148.8 -3.3 9.0 35.0 55 55 A K E +I 46 0B 114 -2,-0.4 2,-0.3 -9,-0.3 -9,-0.3 -0.750 40.9 168.1 -82.0 124.4 -2.2 8.8 38.5 56 56 A V E -I 45 0B 1 -11,-3.5 -11,-1.6 -2,-0.4 2,-0.5 -0.813 31.3-117.8-137.9 162.9 -2.2 12.4 39.9 57 57 A R E -IJ 44 77B 48 20,-2.2 20,-2.4 -2,-0.3 2,-0.7 -0.963 20.9-134.2-120.3 141.4 -1.8 13.7 43.4 58 58 A Q E -IJ 43 76B 45 -15,-3.6 -15,-2.2 -2,-0.5 2,-0.4 -0.806 21.3-179.3 -96.8 116.1 -4.5 15.6 45.1 59 59 A Y E - J 0 75B 6 16,-2.5 16,-1.1 -2,-0.7 2,-0.4 -0.843 17.4-151.8 -99.2 140.5 -3.5 18.8 46.9 60 60 A D E + 0 0 27 -19,-0.4 14,-0.2 -2,-0.4 -19,-0.1 -0.895 62.8 17.0-117.7 154.9 -6.4 20.5 48.6 61 61 A Q E S+ 0 0 117 -2,-0.4 2,-0.5 1,-0.2 13,-0.2 0.783 74.6 166.0 66.6 38.7 -7.0 24.1 49.4 62 62 A I E - J 0 73B 24 11,-2.4 11,-1.3 -3,-0.3 2,-0.6 -0.704 36.1-127.0 -88.7 119.5 -4.4 25.6 47.2 63 63 A L E - J 0 72B 95 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.531 30.7-176.1 -65.2 115.1 -4.5 29.3 46.5 64 64 A I E -EJ 15 71B 1 7,-2.6 7,-1.9 -2,-0.6 2,-0.6 -0.922 15.7-158.4-110.3 143.3 -4.5 29.9 42.8 65 65 A E E +EJ 14 70B 65 -51,-2.7 -51,-2.9 -2,-0.4 2,-0.4 -0.959 14.9 178.9-118.5 112.4 -4.4 33.4 41.3 66 66 A I E > -EJ 13 69B 2 3,-2.7 3,-2.0 -2,-0.6 -53,-0.2 -0.957 66.9 -33.7-117.6 127.6 -5.8 33.2 37.7 67 67 A X T 3 S- 0 0 71 -55,-2.1 2,-1.1 -2,-0.4 -53,-0.1 -0.064 127.3 -30.8 38.1-154.8 -5.8 36.6 36.1 68 68 A G T 3 S+ 0 0 70 -3,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.138 119.0 110.8 -69.3 30.3 -6.6 39.2 38.8 69 69 A H E < - J 0 66B 59 -3,-2.0 -3,-2.7 -2,-1.1 2,-0.4 -0.916 54.0-158.0-125.2 118.2 -8.6 36.4 40.6 70 70 A K E + J 0 65B 156 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.746 26.0 156.2 -91.4 139.5 -7.9 34.7 43.8 71 71 A A E - J 0 64B 6 -7,-1.9 -7,-2.6 -2,-0.4 2,-0.4 -0.935 24.7-149.8-152.7 159.3 -9.6 31.3 44.2 72 72 A I E + J 0 63B 80 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.999 35.4 110.5-140.1 136.3 -8.8 28.3 46.3 73 73 A G E - J 0 62B 8 -11,-1.3 -11,-2.4 -2,-0.4 2,-0.5 -0.966 64.1 -41.9-167.6-163.8 -9.6 24.7 45.7 74 74 A T E - 0 0 34 -2,-0.3 -43,-0.6 -14,-0.2 2,-0.4 -0.654 45.1-174.5 -76.1 125.2 -8.1 21.4 44.9 75 75 A V E -gJ 31 59B 0 -16,-1.1 -16,-2.5 -2,-0.5 2,-0.5 -0.928 11.0-151.9-114.4 151.4 -5.5 21.0 42.3 76 76 A L E -gJ 32 58B 2 -45,-1.4 -43,-2.3 -2,-0.4 2,-0.4 -0.950 8.1-152.2-114.1 130.0 -4.1 17.8 41.2 77 77 A V E +gJ 33 57B 0 -20,-2.4 -20,-2.2 -2,-0.5 -43,-0.2 -0.857 34.7 123.3-112.8 148.9 -0.6 17.5 39.9 78 78 A G E -g 34 0B 1 -45,-2.4 2,-2.2 -2,-0.4 -43,-0.6 -0.955 68.2 -54.7-177.2-179.9 0.4 15.0 37.5 79 79 A P + 0 0 72 0, 0.0 72,-0.3 0, 0.0 -45,-0.1 -0.484 68.9 153.0 -91.1 75.1 1.9 14.1 34.1 80 80 A T - 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