==== 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 ASPARTYL PROTEASE 16-JAN-96 1BVE . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.YAMAZAKI,A.P.HINCK,Y.-X.WANG,L.K.NICHOLSON,D.A.TORCHIA, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 32.3 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 . 5 2.5 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 . 52 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.1 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 . 1 0 2 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 . 4 3 2 3 0 2 1 0 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 1 2 1 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 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 65 0, 0.0 198,-0.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 146.8 -6.8 14.7 5.0 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.7 93,-0.1 196,-0.2 -0.748 360.0-167.8 -86.2 118.5 -3.1 15.4 5.3 3 3 A V E +A 197 0A 46 194,-0.8 194,-1.6 -2,-0.7 4,-0.1 -0.868 29.0 146.7-115.1 105.9 -1.5 12.1 6.5 4 4 A T + 0 0 57 -2,-0.7 2,-0.3 192,-0.2 -1,-0.1 -0.018 32.8 117.0-123.3 30.0 2.1 12.4 7.7 5 5 A L S S- 0 0 137 2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.084 78.4-126.6 -89.6 39.3 2.1 9.8 10.5 6 6 A W S S+ 0 0 150 -2,-0.3 2,-0.3 189,-0.2 -2,-0.1 0.723 74.1 108.6 16.3 59.4 4.7 7.7 8.6 7 7 A Q S S- 0 0 122 -4,-0.1 -2,-0.1 3,-0.0 -1,-0.1 -0.896 84.9 -62.4-145.1 174.2 2.4 4.7 8.9 8 8 A R - 0 0 135 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.504 46.3-139.2 -66.0 118.3 0.1 2.6 6.6 9 9 A P + 0 0 14 0, 0.0 15,-1.4 0, 0.0 2,-0.2 -0.467 42.4 161.4 -77.0 71.7 -2.6 5.0 5.3 10 10 A L E -D 23 0B 74 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.592 17.0-172.6 -92.9 157.1 -5.4 2.5 5.7 11 11 A V E -D 22 0B 12 11,-1.5 11,-1.7 -2,-0.2 2,-0.8 -0.974 32.9-113.4-150.8 136.5 -9.1 3.4 5.8 12 12 A T E -D 21 0B 87 -2,-0.3 55,-0.7 9,-0.2 56,-0.4 -0.529 45.6-163.2 -68.3 108.9 -12.3 1.5 6.5 13 13 A I E -DE 20 66B 0 7,-2.3 7,-1.4 -2,-0.8 2,-0.7 -0.693 15.5-141.6 -98.7 152.5 -13.9 1.8 3.1 14 14 A K E + E 0 65B 99 51,-1.1 51,-1.3 -2,-0.3 2,-0.5 -0.887 28.6 167.5-113.2 104.6 -17.6 1.2 2.2 15 15 A I > - 0 0 0 -2,-0.7 3,-0.9 3,-0.5 22,-0.2 -0.959 69.3 -8.0-120.8 129.8 -18.1 -0.6 -1.1 16 16 A G T 3 S- 0 0 47 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.885 130.2 -56.3 58.6 35.6 -21.4 -2.1 -2.2 17 17 A G T 3 S+ 0 0 71 46,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.813 120.8 109.8 67.1 26.3 -22.8 -1.4 1.2 18 18 A Q < - 0 0 91 -3,-0.9 -3,-0.5 19,-0.1 2,-0.3 -0.620 58.9-137.9-121.5-176.8 -19.9 -3.5 2.7 19 19 A L + 0 0 87 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.916 27.8 151.8-151.4 124.1 -16.8 -2.5 4.7 20 20 A K E -D 13 0B 35 -7,-1.4 -7,-2.3 -2,-0.3 2,-0.4 -0.929 50.8 -88.5-142.0 166.0 -13.2 -3.7 4.5 21 21 A E E -D 12 0B 134 -2,-0.3 62,-0.8 -9,-0.2 2,-0.4 -0.622 43.1-151.1 -79.3 131.6 -9.8 -2.3 5.3 22 22 A A E -Df 11 83B 0 -11,-1.7 -11,-1.5 -2,-0.4 2,-0.8 -0.863 6.4-149.8-108.1 137.9 -8.4 -0.3 2.4 23 23 A L E -Df 10 84B 23 60,-2.4 62,-1.5 -2,-0.4 2,-0.5 -0.830 24.1-127.8-104.8 98.7 -4.6 0.1 1.7 24 24 A L E - f 0 85B 2 -15,-1.4 2,-1.2 -2,-0.8 3,-0.2 -0.167 32.3-171.4 -44.9 95.2 -4.0 3.4 -0.1 25 25 A D > + 0 0 15 60,-1.1 3,-0.8 -2,-0.5 62,-0.2 -0.613 20.2 168.3 -97.1 79.8 -2.0 1.8 -2.9 26 26 A T T 3 S+ 0 0 6 -2,-1.2 -1,-0.2 1,-0.2 61,-0.2 0.718 76.2 67.8 -63.1 -13.7 -0.7 4.8 -4.8 27 27 A G T 3 S+ 0 0 2 -3,-0.2 -1,-0.2 59,-0.1 98,-0.1 0.916 93.0 63.6 -72.8 -41.4 1.5 2.2 -6.6 28 28 A A S < S- 0 0 30 -3,-0.8 59,-1.3 57,-0.1 3,-0.0 -0.273 79.9-135.1 -77.0 168.9 -1.4 0.6 -8.4 29 29 A D S S+ 0 0 76 57,-0.2 59,-1.4 58,-0.1 2,-0.2 0.645 81.0 25.1-100.7 -17.6 -3.5 2.5 -11.0 30 30 A D S S- 0 0 48 57,-0.2 2,-1.1 58,-0.1 56,-0.7 -0.754 90.7 -88.2-135.7-176.7 -7.0 1.4 -9.8 31 31 A T E -h 75 0C 0 43,-1.4 45,-1.7 54,-0.3 54,-0.2 -0.692 45.1-174.2 -98.9 88.0 -8.9 0.3 -6.6 32 32 A V E -h 76 0C 8 -2,-1.1 2,-0.3 43,-0.2 52,-0.3 -0.247 5.4-170.0 -71.9 168.1 -8.6 -3.5 -6.6 33 33 A L E -h 77 0C 0 43,-1.8 45,-2.2 50,-0.3 47,-0.3 -0.921 27.4-100.7-163.2 135.2 -10.5 -5.4 -3.8 34 34 A E - 0 0 60 48,-0.5 22,-0.0 -2,-0.3 49,-0.0 0.076 68.7 -65.6 -45.2 170.7 -10.7 -8.9 -2.4 35 35 A E S S+ 0 0 125 43,-0.3 2,-0.3 45,-0.3 -1,-0.1 -0.238 80.1 126.3 -60.6 152.7 -13.7 -10.9 -3.7 36 36 A M - 0 0 38 -3,-0.1 2,-0.5 -18,-0.0 -20,-0.1 -0.927 59.8 -55.5-177.8-158.9 -17.1 -9.6 -2.6 37 37 A S + 0 0 87 -2,-0.3 -19,-0.1 -22,-0.2 -2,-0.0 -0.910 52.4 166.4-110.7 127.2 -20.5 -8.5 -3.9 38 38 A L - 0 0 22 -2,-0.5 2,-0.5 39,-0.0 4,-0.1 -0.830 42.1 -85.5-131.9 170.0 -20.8 -5.7 -6.6 39 39 A P - 0 0 63 0, 0.0 -23,-0.0 0, 0.0 -2,-0.0 -0.644 51.5-101.3 -81.0 124.0 -23.5 -4.4 -8.9 40 40 A G S S+ 0 0 58 -2,-0.5 19,-0.0 1,-0.2 0, 0.0 -0.161 96.2 86.4 -44.5 117.7 -23.8 -6.3 -12.3 41 41 A R + 0 0 190 -3,-0.0 19,-0.8 17,-0.0 2,-0.2 0.306 61.5 119.4 150.0 44.3 -22.0 -4.0 -14.7 42 42 A W E -I 59 0C 109 17,-0.2 17,-0.2 -4,-0.1 16,-0.1 -0.559 49.1-137.2-118.8-173.8 -18.4 -5.0 -14.5 43 43 A K E -I 58 0C 134 15,-0.6 15,-2.1 -2,-0.2 2,-0.2 -0.985 23.1-115.4-150.1 136.9 -15.7 -6.5 -16.9 44 44 A P E +I 57 0C 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.511 40.6 166.2 -75.1 136.9 -13.2 -9.2 -16.3 45 45 A K E -I 56 0C 88 11,-1.4 11,-2.4 -2,-0.2 2,-0.5 -0.977 28.4-133.0-146.8 157.5 -9.5 -8.2 -16.3 46 46 A M E -I 55 0C 101 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.949 14.2-162.0-119.4 125.5 -6.2 -9.8 -15.2 47 47 A I E -I 54 0C 36 7,-1.7 7,-2.3 -2,-0.5 2,-0.6 -0.857 1.6-161.7-104.9 136.2 -3.6 -8.0 -13.2 48 48 A G E +I 53 0C 38 -2,-0.4 5,-0.2 5,-0.3 103,-0.1 -0.881 34.8 130.5-118.4 102.6 -0.0 -9.3 -13.1 49 49 A G - 0 0 30 3,-1.4 2,-0.5 -2,-0.6 102,-0.1 0.115 60.4 -6.6-119.5-127.2 2.0 -7.9 -10.1 50 50 A I S S+ 0 0 34 1,-0.2 102,-1.4 130,-0.1 99,-0.4 -0.640 127.9 0.5 -80.2 122.1 4.1 -9.5 -7.4 51 51 A G B S-K 151 0D 37 -2,-0.5 102,-0.3 128,-0.2 2,-0.3 -0.290 126.3 -38.5 100.0 -50.9 4.1 -13.4 -7.4 52 52 A G S S- 0 0 19 98,-1.2 -3,-1.4 -2,-0.4 2,-0.5 -0.939 74.5 -61.2-177.5-160.5 1.8 -14.0 -10.3 53 53 A F E -I 48 0C 144 98,-0.3 -5,-0.3 -2,-0.3 2,-0.2 -0.925 41.6-168.5-113.5 133.4 -1.4 -12.8 -12.1 54 54 A I E -I 47 0C 14 -7,-2.3 -7,-1.7 -2,-0.5 2,-0.5 -0.709 19.3-122.9-113.5 168.1 -4.8 -12.7 -10.5 55 55 A K E +I 46 0C 117 -2,-0.2 -9,-0.2 -9,-0.2 2,-0.2 -0.926 33.6 170.3-113.5 132.4 -8.3 -12.2 -12.0 56 56 A V E -I 45 0C 4 -11,-2.4 -11,-1.4 -2,-0.5 2,-0.5 -0.669 35.6-114.6-127.8-174.6 -10.6 -9.4 -10.9 57 57 A R E -I 44 0C 86 -13,-0.2 2,-1.1 -2,-0.2 20,-1.1 -0.820 24.6-141.3-127.4 92.1 -13.9 -7.8 -11.9 58 58 A Q E -IJ 43 76C 49 -15,-2.1 -15,-0.6 -2,-0.5 2,-0.4 -0.289 24.5-170.7 -54.6 94.5 -13.4 -4.2 -13.0 59 59 A Y E -IJ 42 75C 20 16,-1.8 16,-1.3 -2,-1.1 2,-0.4 -0.734 7.8-150.7 -89.5 133.7 -16.5 -2.6 -11.5 60 60 A D E + 0 0 67 -19,-0.8 14,-0.2 -2,-0.4 -2,-0.0 -0.881 65.7 14.5-111.3 139.9 -17.1 1.0 -12.6 61 61 A Q E S+ 0 0 134 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.992 74.4 162.8 69.5 63.5 -18.8 3.7 -10.6 62 62 A I E - J 0 73C 6 11,-1.9 2,-2.3 -3,-0.2 11,-0.8 -0.954 44.9-123.5-116.7 122.8 -18.9 2.2 -7.1 63 63 A L E + J 0 72C 64 -2,-0.5 2,-0.7 9,-0.2 9,-0.3 -0.361 40.0 177.3 -64.8 82.9 -19.6 4.5 -4.2 64 64 A I - 0 0 0 -2,-2.3 2,-0.4 7,-1.3 7,-0.3 -0.777 16.1-152.3 -90.8 117.8 -16.4 3.6 -2.2 65 65 A E E -E 14 0B 41 -51,-1.3 -51,-1.1 -2,-0.7 2,-0.5 -0.729 7.1-162.6 -90.4 137.2 -16.2 5.7 0.9 66 66 A I E > S-EG 13 69B 3 3,-1.7 3,-1.1 -2,-0.4 -53,-0.2 -0.926 73.0 -23.9-124.4 112.6 -12.7 6.3 2.3 67 67 A C T 3 S- 0 0 77 -55,-0.7 -1,-0.1 -2,-0.5 -54,-0.1 0.775 130.3 -48.0 62.4 23.1 -12.4 7.5 5.9 68 68 A G T 3 S+ 0 0 51 -56,-0.4 2,-0.8 1,-0.2 -1,-0.3 0.570 109.3 129.6 93.9 9.2 -16.0 8.8 5.6 69 69 A H B < -G 66 0B 58 -3,-1.1 -3,-1.7 2,-0.0 -1,-0.2 -0.821 60.3-130.8-100.5 105.4 -15.3 10.6 2.3 70 70 A K + 0 0 181 -2,-0.8 2,-0.3 -5,-0.2 -5,-0.2 -0.294 42.4 162.5 -53.8 125.1 -18.1 9.6 -0.2 71 71 A A - 0 0 9 -7,-0.3 -7,-1.3 2,-0.0 2,-0.3 -0.999 28.1-153.9-147.2 146.0 -16.2 8.6 -3.4 72 72 A I E + J 0 63C 64 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.845 33.4 130.9-115.4 155.3 -17.1 6.6 -6.5 73 73 A G E - 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