==== 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 1MET . 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) . 9818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 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 . 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 . 21 10.6 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 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 92 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 169.6 -12.9 39.6 29.7 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.871 360.0-160.7 -96.2 137.4 -14.7 37.9 27.0 3 3 A V E -A 197 0A 26 194,-3.3 194,-2.8 -2,-0.5 2,-0.2 -0.968 5.5-150.5-121.6 128.1 -12.6 35.4 25.1 4 4 A T - 0 0 57 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.498 19.4-127.0 -86.0 168.5 -13.3 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 0.043 79.5 102.3-114.0 25.2 -12.2 30.5 20.8 6 6 A W S S+ 0 0 182 184,-0.1 2,-0.4 185,-0.1 -1,-0.2 0.769 92.6 40.8 -73.8 -24.7 -10.2 30.9 17.6 7 7 A Q S S- 0 0 114 -3,-0.3 -1,-0.1 180,-0.0 0, 0.0 -0.934 107.4 -91.3-117.6 149.0 -7.3 30.6 19.8 8 8 A R - 0 0 90 -2,-0.4 2,-1.6 1,-0.1 119,-0.1 -0.339 47.3-117.7 -47.2 124.0 -6.7 28.2 22.7 9 9 A P + 0 0 6 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.548 45.9 173.6 -82.0 93.1 -7.9 30.1 25.8 10 10 A L E -D 23 0B 86 -2,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.752 8.9-175.4 -98.7 143.5 -4.8 30.4 27.8 11 11 A V E -D 22 0B 11 11,-3.0 11,-3.2 -2,-0.3 2,-0.4 -0.967 26.4-115.6-133.4 151.2 -4.4 32.4 31.0 12 12 A T E -D 21 0B 81 -2,-0.3 55,-3.0 9,-0.2 2,-0.3 -0.731 35.3-174.4 -83.7 134.8 -1.5 33.2 33.4 13 13 A I E -DE 20 66B 2 7,-3.0 7,-2.5 -2,-0.4 2,-0.4 -0.882 19.3-147.1-122.0 157.5 -1.8 31.9 36.8 14 14 A K E +DE 19 65B 72 51,-2.2 51,-2.4 -2,-0.3 2,-0.3 -0.997 28.9 158.5-121.4 126.5 0.2 32.2 40.0 15 15 A I E > -DE 18 64B 0 3,-2.5 3,-2.6 -2,-0.4 49,-0.1 -0.993 66.2 -1.1-142.7 134.7 0.4 29.2 42.3 16 16 A G T 3 S- 0 0 44 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.797 127.7 -59.2 63.3 24.3 3.0 28.4 44.9 17 17 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.556 115.7 112.3 79.4 3.9 5.0 31.5 44.1 18 18 A Q E < -D 15 0B 66 -3,-2.6 -3,-2.5 2,-0.0 2,-0.4 -0.862 61.5-135.5-116.7 148.3 5.4 30.4 40.6 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.836 34.0 158.0-100.5 134.2 4.0 31.8 37.4 20 20 A K E -D 13 0B 39 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.4 -0.934 36.7-118.9-144.1 169.4 2.5 29.5 34.8 21 21 A E E -D 12 0B 121 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.912 32.5-173.1-110.8 147.5 0.1 29.6 31.8 22 22 A A E -D 11 0B 1 -11,-3.2 -11,-3.0 -2,-0.4 2,-0.4 -0.954 23.5-117.2-138.5 154.4 -3.0 27.4 31.9 23 23 A L E -Df 10 84B 6 60,-2.7 62,-3.2 -2,-0.3 2,-0.8 -0.732 23.9-130.7 -90.6 134.7 -5.8 26.4 29.6 24 24 A L E - f 0 85B 5 -15,-2.7 2,-0.6 -2,-0.4 62,-0.2 -0.770 33.9-174.6 -85.1 115.1 -9.4 27.3 30.5 25 25 A D > - 0 0 18 60,-2.9 3,-1.8 -2,-0.8 62,-0.3 -0.820 25.9-179.1-126.1 101.0 -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 0.723 84.5 63.3 -66.5 -19.2 -14.9 23.7 30.4 27 27 A G T 3 S+ 0 0 13 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.472 88.8 83.4 -81.1 -0.6 -14.8 20.0 29.8 28 28 A A < - 0 0 17 -3,-1.8 59,-3.5 57,-0.2 60,-0.2 -0.874 58.9-161.7-109.8 130.7 -12.7 19.3 32.9 29 29 A D S S+ 0 0 58 -2,-0.5 59,-2.3 57,-0.2 2,-0.2 0.905 77.8 27.6 -73.0 -36.2 -14.3 18.9 36.3 30 30 A D S S- 0 0 70 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.683 84.6-103.9-119.9 170.6 -11.1 19.5 38.2 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.3 -2,-0.2 2,-0.4 -0.843 31.5-172.0 -96.1 128.9 -7.9 21.4 37.7 32 32 A V E -gH 76 84B 9 52,-1.3 52,-3.1 -2,-0.5 2,-0.3 -0.989 2.3-167.4-126.1 133.8 -4.8 19.4 36.9 33 33 A L E -g 77 0B 0 43,-2.8 45,-2.4 -2,-0.4 3,-0.1 -0.855 29.1-102.2-115.9 149.8 -1.3 20.9 36.8 34 34 A E - 0 0 68 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.164 65.7 -67.7 -62.0 163.5 1.9 19.6 35.5 35 35 A E S S+ 0 0 105 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.352 75.6 152.0 -68.0 140.1 4.2 18.3 38.1 36 36 A M - 0 0 9 -3,-0.1 2,-0.6 2,-0.0 -3,-0.1 -0.962 50.9 -83.4-167.3 153.7 5.4 21.2 40.1 37 37 A S + 0 0 91 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.665 50.6 165.6 -81.7 116.8 6.6 21.8 43.6 38 38 A L - 0 0 22 -2,-0.6 2,-0.2 2,-0.1 -2,-0.0 -0.984 28.8-132.9-129.3 138.4 3.8 22.3 46.1 39 39 A P + 0 0 102 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.597 59.5 47.0 -82.2 153.2 4.1 22.3 49.8 40 40 A G S S- 0 0 59 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.573 86.4 -45.3 125.0 175.4 1.7 20.3 51.9 41 41 A R + 0 0 143 -2,-0.2 2,-0.3 19,-0.1 19,-0.3 -0.571 53.7 178.3 -78.8 160.5 -0.1 17.1 52.4 42 42 A W - 0 0 102 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.967 21.9-136.1-150.4 160.7 -1.7 15.4 49.5 43 43 A K E -I 58 0B 133 15,-2.3 15,-4.0 -2,-0.3 2,-0.2 -0.927 28.3-112.9-114.7 150.0 -3.5 12.3 48.7 44 44 A P E +I 57 0B 65 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.530 43.4 165.9 -75.6 153.6 -2.9 10.0 45.6 45 45 A K E -I 56 0B 110 11,-2.5 11,-3.2 -2,-0.2 2,-0.4 -0.959 27.3-136.8-155.4 160.5 -5.7 9.8 43.0 46 46 A M E -I 55 0B 112 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.991 16.0-169.1-125.9 144.9 -6.3 8.7 39.4 47 47 A I E -I 54 0B 31 7,-2.3 7,-2.6 -2,-0.4 2,-0.4 -0.949 12.9-137.3-125.7 150.3 -8.2 10.5 36.7 48 48 A G E +I 53 0B 47 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.877 29.7 150.6-109.8 146.4 -9.3 9.3 33.4 49 49 A G - 0 0 23 3,-3.0 2,-0.5 -2,-0.4 102,-0.1 -0.566 58.2 -46.4-135.2-155.9 -9.2 11.0 30.0 50 50 A I S S+ 0 0 19 1,-0.2 102,-0.6 -2,-0.2 99,-0.4 -0.743 130.4 23.2 -73.5 129.2 -9.0 10.3 26.3 51 51 A G B S-K 151 0C 35 -2,-0.5 2,-0.3 128,-0.3 102,-0.3 -0.119 124.1 -63.1 105.6 -44.2 -6.2 7.9 26.2 52 52 A G - 0 0 22 98,-0.9 -3,-3.0 100,-0.2 2,-0.4 -1.000 62.9 -46.4 159.8-160.1 -6.3 6.5 29.7 53 53 A F E -I 48 0B 155 -2,-0.3 2,-0.3 98,-0.3 -5,-0.2 -0.842 40.4-166.0-109.2 143.3 -5.9 7.0 33.4 54 54 A I E -I 47 0B 20 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.3 -0.934 21.4-121.8-125.9 157.8 -3.2 8.8 35.1 55 55 A K E +I 46 0B 111 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.767 37.7 174.2 -94.1 143.8 -2.1 8.9 38.7 56 56 A V E -I 45 0B 4 -11,-3.2 -11,-2.5 -2,-0.3 2,-0.5 -0.923 29.5-119.3-147.3 157.6 -2.2 12.3 40.2 57 57 A R E -IJ 44 77B 77 20,-2.7 20,-2.8 -2,-0.3 2,-0.5 -0.913 25.3-142.5-106.9 137.4 -1.7 13.9 43.7 58 58 A Q E +IJ 43 76B 35 -15,-4.0 -15,-2.3 -2,-0.5 2,-0.4 -0.873 18.5 179.5-105.8 128.6 -4.5 15.8 45.2 59 59 A Y E - J 0 75B 4 16,-2.4 16,-2.2 -2,-0.5 3,-0.3 -0.972 14.7-153.7-117.8 131.6 -3.9 18.9 47.3 60 60 A D E + 0 0 59 -2,-0.4 14,-0.2 -19,-0.3 -19,-0.1 -0.737 67.6 24.1-103.4 164.2 -6.9 20.7 48.8 61 61 A Q E S+ 0 0 134 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.876 75.8 161.0 59.6 43.7 -7.3 24.3 49.7 62 62 A I E - J 0 73B 26 11,-2.7 11,-2.4 -3,-0.3 2,-0.4 -0.831 35.9-130.7-100.3 136.0 -4.6 25.7 47.4 63 63 A L E + J 0 72B 83 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.734 29.9 175.1 -86.4 131.2 -4.6 29.3 46.5 64 64 A I E -EJ 15 71B 0 7,-2.5 7,-2.6 -2,-0.4 2,-0.6 -0.981 22.4-149.7-131.2 142.7 -4.4 30.1 42.9 65 65 A E E -EJ 14 70B 62 -51,-2.4 -51,-2.2 -2,-0.4 2,-0.6 -0.974 15.1-170.1-111.8 119.5 -4.5 33.5 41.2 66 66 A I E > -EJ 13 69B 0 3,-2.2 3,-0.8 -2,-0.6 -53,-0.2 -0.939 67.1 -37.9-113.1 116.3 -6.0 33.2 37.7 67 67 A C T 3 S- 0 0 65 -55,-3.0 2,-0.4 -2,-0.6 -53,-0.1 -0.451 127.7 -31.1 53.6-138.8 -5.6 36.3 35.7 68 68 A G T 3 S+ 0 0 70 -3,-0.1 2,-0.4 -55,-0.0 -1,-0.2 -0.177 119.9 94.7-103.7 51.0 -6.3 38.8 38.5 69 69 A H E < - J 0 66B 61 -3,-0.8 -3,-2.2 -2,-0.4 2,-0.4 -0.989 62.9-141.9-133.4 140.8 -8.7 36.7 40.6 70 70 A K E + J 0 65B 149 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.860 24.1 173.6-102.9 146.3 -7.8 34.6 43.5 71 71 A A E - J 0 64B 3 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.4 -0.925 18.0-146.2-142.3 161.1 -9.6 31.3 44.0 72 72 A I E + J 0 63B 77 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.993 40.5 95.3-138.6 129.1 -9.0 28.5 46.5 73 73 A G E - J 0 62B 16 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.3 -0.992 64.8 -35.4 178.7-174.3 -9.5 24.8 45.9 74 74 A T E - 0 0 41 -2,-0.3 -43,-0.5 -14,-0.2 2,-0.4 -0.569 45.2-173.3 -73.2 132.2 -8.3 21.4 45.1 75 75 A V E -gJ 31 59B 0 -16,-2.2 -16,-2.4 -2,-0.3 2,-0.5 -0.977 13.7-147.0-125.4 146.6 -5.6 21.0 42.5 76 76 A L E -gJ 32 58B 6 -45,-2.3 -43,-2.8 -2,-0.4 2,-0.4 -0.934 13.1-157.6-110.0 126.9 -4.4 17.7 41.1 77 77 A V E +gJ 33 57B 1 -20,-2.8 -20,-2.7 -2,-0.5 -43,-0.2 -0.862 36.7 98.3-110.6 142.8 -0.7 17.6 40.2 78 78 A G S S- 0 0 6 -45,-2.4 2,-2.0 -2,-0.4 -43,-0.4 -0.996 74.3 -34.9 170.2-172.1 0.6 15.1 37.7 79 79 A P + 0 0 87 0, 0.0 72,-0.4 0, 0.0 -45,-0.1 -0.473 68.8 142.4 -86.1 74.3 1.7 14.2 34.2 80 80 A T - 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