==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-SEP-98 1BV9 . COMPND 2 MOLECULE: PROTEIN (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) . 9591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.6 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 . 20 10.1 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 . 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 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 . 3 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 85 0, 0.0 198,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 173.8 -12.8 39.3 29.8 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.872 360.0-160.7-100.1 135.7 -14.5 37.5 27.0 3 3 A V E -A 197 0A 32 194,-3.1 194,-2.7 -2,-0.5 2,-0.2 -0.950 5.8-149.2-114.7 133.7 -12.4 35.0 25.1 4 4 A T > - 0 0 59 -2,-0.4 3,-0.5 192,-0.2 192,-0.1 -0.631 21.0-125.6 -90.6 165.2 -13.2 33.7 21.6 5 5 A L T 3 S+ 0 0 1 190,-0.5 186,-0.2 -2,-0.2 185,-0.1 0.152 81.5 103.7-106.5 20.6 -12.1 30.2 20.8 6 6 A W T 3 S+ 0 0 179 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.693 91.5 34.0 -68.1 -16.1 -10.1 30.8 17.7 7 7 A Q S < S- 0 0 113 -3,-0.5 -4,-0.0 180,-0.0 0, 0.0 -0.921 108.6 -82.1-130.0 162.8 -7.1 30.3 19.9 8 8 A R - 0 0 104 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.501 47.8-120.2 -61.5 133.5 -6.5 28.1 22.8 9 9 A P + 0 0 2 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.584 47.0 175.4 -81.0 81.4 -8.0 30.0 25.8 10 10 A L E -D 23 0B 83 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.734 9.0-175.3 -96.4 137.3 -4.7 30.3 27.8 11 11 A V E -D 22 0B 13 11,-3.2 11,-2.8 -2,-0.4 2,-0.4 -0.954 25.8-115.4-129.0 151.4 -4.4 32.1 31.0 12 12 A T E -D 21 0B 81 -2,-0.3 55,-2.8 9,-0.2 56,-0.5 -0.662 34.6-174.2 -79.3 130.3 -1.6 33.1 33.4 13 13 A I E -DE 20 66B 2 7,-3.3 7,-2.1 -2,-0.4 2,-0.5 -0.897 20.0-151.2-120.7 157.6 -1.8 31.6 36.8 14 14 A K E +DE 19 65B 48 51,-2.5 51,-2.7 -2,-0.4 2,-0.4 -0.993 27.2 164.1-124.1 122.3 0.2 32.0 39.9 15 15 A I E > -DE 18 64B 0 3,-2.3 3,-1.7 -2,-0.5 49,-0.1 -0.995 67.9 -5.8-139.9 128.8 0.3 29.0 42.1 16 16 A G T 3 S- 0 0 46 47,-0.7 3,-0.1 -2,-0.4 -1,-0.1 0.851 128.3 -59.3 60.7 30.0 2.7 28.3 44.9 17 17 A G T 3 S+ 0 0 64 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.767 115.2 112.8 62.5 26.7 4.6 31.4 44.0 18 18 A Q E < -D 15 0B 66 -3,-1.7 -3,-2.3 2,-0.0 2,-0.5 -0.927 62.6-131.9-122.9 151.8 5.3 30.1 40.5 19 19 A L E +D 14 0B 126 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.908 34.2 160.6-106.9 133.0 3.9 31.5 37.3 20 20 A K E -D 13 0B 65 -7,-2.1 -7,-3.3 -2,-0.5 2,-0.4 -0.915 35.3-124.6-139.3 162.1 2.3 29.1 34.7 21 21 A E E +D 12 0B 120 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.902 33.5 179.9-107.5 146.7 -0.0 29.3 31.7 22 22 A A E -D 11 0B 1 -11,-2.8 -11,-3.2 -2,-0.4 2,-0.4 -0.950 26.5-113.9-144.1 158.1 -3.0 27.0 31.8 23 23 A L E -Df 10 84B 2 60,-3.0 62,-2.9 -2,-0.3 2,-0.7 -0.791 24.3-126.1 -94.7 138.2 -6.0 26.3 29.5 24 24 A L E - f 0 85B 3 -15,-2.7 2,-0.6 -2,-0.4 62,-0.2 -0.743 36.7-170.3 -80.8 113.6 -9.5 27.2 30.6 25 25 A D > - 0 0 19 60,-3.1 3,-1.7 -2,-0.7 62,-0.4 -0.840 25.9-179.5-124.5 100.7 -11.2 23.9 30.2 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.714 86.8 57.1 -65.0 -22.6 -15.0 23.5 30.4 27 27 A G T 3 S+ 0 0 12 96,-0.1 2,-0.6 81,-0.1 -1,-0.3 0.517 88.3 89.1 -86.6 1.6 -14.8 19.8 29.8 28 28 A A < - 0 0 15 -3,-1.7 59,-3.3 57,-0.2 60,-0.3 -0.848 55.5-166.6-103.8 123.1 -12.5 19.2 32.8 29 29 A D S S+ 0 0 69 -2,-0.6 59,-1.3 57,-0.2 2,-0.3 0.901 77.0 34.0 -72.3 -33.0 -14.2 18.5 36.0 30 30 A D S S- 0 0 51 57,-0.2 2,-0.4 -3,-0.1 57,-0.2 -0.817 84.3-112.8-119.4 156.0 -11.0 19.0 37.9 31 31 A T - 0 0 0 43,-0.4 45,-1.5 -2,-0.3 2,-0.4 -0.735 35.1-176.3 -84.1 134.9 -7.9 21.2 37.6 32 32 A V E -gH 76 84B 3 52,-1.9 52,-3.2 -2,-0.4 2,-0.3 -1.000 2.8-169.8-141.7 136.8 -4.8 19.3 36.8 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.3 -0.808 29.6 -98.2-125.2 153.1 -1.3 20.7 36.5 34 34 A E E -g 78 0B 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.369 64.4 -69.5 -69.3 156.6 2.0 19.4 35.3 35 35 A E S S+ 0 0 88 43,-0.8 2,-0.3 45,-0.2 -1,-0.2 -0.204 74.7 141.6 -42.9 126.8 4.4 18.2 37.9 36 36 A M - 0 0 13 -3,-0.1 2,-0.9 2,-0.0 -3,-0.0 -0.932 54.6 -75.0-164.9 176.0 5.7 21.0 39.9 37 37 A S + 0 0 88 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.694 47.1 167.8 -95.0 107.6 6.6 21.7 43.5 38 38 A L - 0 0 18 -2,-0.9 2,-0.2 2,-0.1 -2,-0.0 -0.932 29.5-126.3-114.8 146.8 3.8 22.1 46.0 39 39 A P + 0 0 102 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.501 62.0 12.3 -75.0 149.8 4.2 22.2 49.7 40 40 A G S S- 0 0 63 -2,-0.2 2,-0.3 19,-0.0 -2,-0.1 -0.547 92.2 -1.3 106.0-158.8 2.3 20.0 51.9 41 41 A R + 0 0 210 -2,-0.2 19,-0.5 19,-0.1 2,-0.3 -0.639 52.5 173.4 -89.3 131.8 -0.0 17.1 52.0 42 42 A W - 0 0 128 -2,-0.3 17,-0.2 17,-0.1 15,-0.0 -0.901 16.7-150.0-131.6 166.7 -1.2 15.2 49.0 43 43 A K E -I 58 0B 93 15,-2.0 15,-3.2 -2,-0.3 2,-0.1 -0.964 26.9-108.7-127.9 149.3 -3.1 12.2 48.3 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.426 45.3 165.3 -60.7 156.2 -2.9 9.7 45.4 45 45 A K E -I 56 0B 72 11,-1.5 11,-3.8 -2,-0.1 2,-0.4 -0.907 26.6-138.5-166.2 154.3 -5.9 10.0 43.1 46 46 A M E -I 55 0B 110 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.988 18.3-169.6-123.6 134.0 -6.5 8.7 39.6 47 47 A I E -I 54 0B 20 7,-2.7 7,-2.8 -2,-0.4 2,-0.3 -0.829 15.3-127.6-118.7 164.7 -8.3 10.6 36.9 48 48 A G E +I 53 0B 46 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.822 31.0 157.1-110.2 148.9 -9.6 9.7 33.5 49 49 A G - 0 0 24 3,-2.8 2,-0.4 -2,-0.3 102,-0.1 -0.738 55.0 -71.2-144.6-169.6 -8.9 11.4 30.2 50 50 A I S S+ 0 0 31 -2,-0.2 102,-0.7 1,-0.2 99,-0.2 -0.830 126.3 33.2 -90.7 139.4 -9.0 10.5 26.6 51 51 A G B S-K 151 0C 33 -2,-0.4 2,-0.3 128,-0.4 100,-0.3 -0.253 127.3 -72.2 103.6 -51.1 -6.2 8.2 26.2 52 52 A G - 0 0 23 98,-1.6 -3,-2.8 100,-0.2 2,-0.4 -0.967 62.9 -38.7 165.5-143.8 -6.5 6.8 29.6 53 53 A F E -I 48 0B 156 -2,-0.3 2,-0.4 98,-0.2 -5,-0.2 -0.883 40.7-158.5-115.4 149.3 -6.1 7.2 33.3 54 54 A I E -I 47 0B 16 -7,-2.8 -7,-2.7 -2,-0.4 2,-0.4 -0.987 18.5-127.2-130.2 150.5 -3.4 8.9 35.1 55 55 A K E +I 46 0B 111 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.731 42.9 170.4 -86.1 130.9 -2.2 8.6 38.7 56 56 A V E -I 45 0B 2 -11,-3.8 -11,-1.5 -2,-0.4 2,-0.5 -0.848 34.2-111.4-141.0 169.1 -2.1 12.1 40.1 57 57 A R E -IJ 44 77B 53 20,-2.3 20,-2.2 -2,-0.3 2,-0.5 -0.949 23.5-147.4-115.3 122.3 -1.7 13.8 43.5 58 58 A Q E -IJ 43 76B 39 -15,-3.2 -15,-2.0 -2,-0.5 2,-0.4 -0.769 15.7-177.2 -88.1 121.9 -4.6 15.6 45.1 59 59 A Y E - J 0 75B 11 16,-2.2 16,-2.1 -2,-0.5 2,-0.4 -0.958 18.0-141.7-117.0 134.1 -3.7 18.7 47.1 60 60 A D E + 0 0 68 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.751 66.6 6.7-105.3 142.5 -6.5 20.4 48.8 61 61 A Q E S+ 0 0 114 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.921 73.6 165.9 57.1 50.9 -7.2 24.0 49.3 62 62 A I E - J 0 73B 25 11,-3.2 11,-2.7 -3,-0.4 2,-0.5 -0.764 34.0-127.2 -88.3 136.9 -4.5 25.5 47.2 63 63 A L E + J 0 72B 67 -2,-0.4 -47,-0.7 9,-0.2 2,-0.4 -0.738 30.7 179.6 -86.6 132.3 -4.7 29.1 46.4 64 64 A I E -EJ 15 71B 0 7,-2.7 7,-2.2 -2,-0.5 2,-0.6 -0.978 22.7-148.1-129.8 139.5 -4.4 29.9 42.8 65 65 A E E -EJ 14 70B 50 -51,-2.7 -51,-2.5 -2,-0.4 2,-0.5 -0.984 18.7-170.8-108.3 125.8 -4.5 33.2 41.1 66 66 A I E > S-EJ 13 69B 1 3,-3.1 3,-2.6 -2,-0.6 -53,-0.2 -0.970 76.5 -19.7-121.3 112.9 -6.1 32.8 37.7 67 67 A C T 3 S- 0 0 55 -55,-2.8 -1,-0.2 -2,-0.5 -54,-0.1 0.908 127.8 -57.9 48.8 37.6 -5.9 35.8 35.6 68 68 A G T 3 S+ 0 0 54 -56,-0.5 -1,-0.3 1,-0.3 2,-0.3 0.322 114.5 117.2 81.7 -14.7 -5.4 37.6 38.8 69 69 A H E < - J 0 66B 82 -3,-2.6 -3,-3.1 1,-0.0 2,-0.3 -0.655 62.3-130.8 -84.1 145.7 -8.6 36.4 40.3 70 70 A K E + J 0 65B 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.745 31.3 165.6-101.7 151.1 -8.1 34.3 43.4 71 71 A A E - J 0 64B 4 -7,-2.2 -7,-2.7 -2,-0.3 2,-0.4 -0.972 23.6-146.5-149.7 157.2 -9.5 30.9 44.2 72 72 A I E + J 0 63B 83 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.997 42.3 121.4-132.1 129.2 -8.8 28.2 46.6 73 73 A G E - J 0 62B 4 -11,-2.7 -11,-3.2 -2,-0.4 2,-0.4 -0.944 62.4 -63.1-164.8 178.3 -9.4 24.7 45.6 74 74 A T E - 0 0 29 -2,-0.3 -43,-0.4 -14,-0.2 2,-0.4 -0.733 46.3-172.5 -80.1 133.0 -8.2 21.3 45.0 75 75 A V E - J 0 59B 0 -16,-2.1 -16,-2.2 -2,-0.4 2,-0.5 -0.965 12.0-147.9-126.9 146.3 -5.5 21.1 42.3 76 76 A L E -gJ 32 58B 0 -45,-1.5 -43,-2.9 -2,-0.4 2,-0.3 -0.938 11.6-162.5-111.1 127.5 -4.2 17.8 41.0 77 77 A V E +gJ 33 57B 0 -20,-2.2 -20,-2.3 -2,-0.5 -43,-0.2 -0.829 35.4 95.1-109.2 160.3 -0.6 17.7 39.9 78 78 A G E S-g 34 0B 3 -45,-2.3 2,-2.3 -2,-0.3 -43,-0.8 -0.998 77.5 -24.0 159.5-167.5 0.8 15.0 37.7 79 79 A P S S+ 0 0 74 0, 0.0 72,-0.3 0, 0.0 -45,-0.1 -0.325 70.6 139.7 -82.0 66.1 1.6 14.0 34.2 80 80 A T - 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