==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACID PROTEINASE) 06-APR-93 1HOS . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.ABDEL-MEGUID,B.ZHAO . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 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 . 25 12.6 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 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 0 5 0 0 4 1 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 79 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-176.1 -12.6 39.1 29.4 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.998 360.0-161.3-128.5 114.1 -14.4 37.6 26.5 3 3 A I E -A 197 0A 30 194,-2.4 194,-2.5 -2,-0.5 2,-0.2 -0.927 3.0-156.9-107.4 116.7 -12.3 34.8 25.0 4 4 A T E > -A 196 0A 54 -2,-0.6 3,-0.5 192,-0.2 192,-0.1 -0.561 21.6-126.7 -81.5 158.8 -13.1 33.7 21.5 5 5 A L T 3 S+ 0 0 1 190,-0.6 186,-0.2 1,-0.2 185,-0.1 0.097 77.6 109.4-101.4 31.7 -11.9 30.2 20.7 6 6 A W T 3 S+ 0 0 173 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.783 91.7 27.8 -73.5 -21.4 -9.9 30.8 17.5 7 7 A Q S < S- 0 0 111 -3,-0.5 -1,-0.0 1,-0.0 0, 0.0 -0.914 112.3 -74.1-132.7 162.5 -6.9 30.1 19.6 8 8 A R - 0 0 121 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.259 49.7-116.0 -57.0 135.8 -6.4 28.0 22.7 9 9 A P + 0 0 1 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.506 52.0 169.1 -76.8 80.9 -7.9 29.8 25.7 10 10 A L E +D 23 0B 82 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.820 8.4 177.0 -96.1 136.6 -4.6 30.3 27.6 11 11 A V E -D 22 0B 18 11,-2.8 11,-2.0 -2,-0.4 2,-0.4 -0.841 32.9-104.1-134.0 163.7 -4.3 32.5 30.7 12 12 A T E -D 21 0B 83 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.815 37.2-174.7 -88.5 133.9 -1.6 33.4 33.2 13 13 A I E -DE 20 66B 0 7,-2.6 7,-2.1 -2,-0.4 2,-0.5 -0.903 16.6-150.9-123.4 151.3 -2.0 31.8 36.6 14 14 A K E +DE 19 65B 93 51,-2.3 51,-2.5 -2,-0.3 2,-0.4 -0.992 28.3 162.0-123.5 117.0 0.1 32.4 39.7 15 15 A I E > -DE 18 64B 2 3,-2.5 3,-2.3 -2,-0.5 49,-0.1 -0.995 62.8 -9.2-143.3 131.2 0.4 29.3 42.0 16 16 A G T 3 S- 0 0 45 47,-0.5 21,-0.1 -2,-0.4 3,-0.1 0.876 127.7 -53.7 49.0 46.9 2.8 28.5 44.8 17 17 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.425 117.6 108.6 76.0 4.1 5.0 31.5 43.9 18 18 A Q E < -D 15 0B 68 -3,-2.3 -3,-2.5 2,-0.0 2,-0.4 -0.814 62.2-135.3-119.2 155.8 5.3 30.4 40.3 19 19 A L E +D 14 0B 117 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.860 32.4 161.9-108.6 134.1 3.9 31.8 37.1 20 20 A K E -D 13 0B 45 -7,-2.1 -7,-2.6 -2,-0.4 2,-0.4 -0.930 36.9-125.0-145.5 160.9 2.4 29.4 34.5 21 21 A E E -D 12 0B 129 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.913 35.5-172.0-105.4 141.2 0.1 29.7 31.5 22 22 A A E -D 11 0B 0 -11,-2.0 -11,-2.8 -2,-0.4 2,-0.3 -0.971 25.0-111.4-138.3 152.3 -2.9 27.3 31.8 23 23 A L E -Df 10 84B 9 60,-2.5 62,-2.3 -2,-0.3 2,-1.2 -0.653 24.9-130.5 -80.6 128.7 -5.7 26.2 29.5 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.7 -2,-0.3 62,-0.1 -0.709 38.0-170.7 -83.3 105.0 -9.3 27.4 30.4 25 25 A D > + 0 0 13 60,-2.3 3,-1.5 -2,-1.2 62,-0.4 -0.721 36.9 174.0-116.4 108.2 -11.1 24.2 30.2 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.677 86.9 62.1 -71.7 -12.0 -14.9 23.4 30.3 27 27 A G T 3 S+ 0 0 30 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.354 89.4 82.5 -98.7 13.0 -14.2 19.7 29.5 28 28 A A < - 0 0 17 -3,-1.5 59,-3.0 57,-0.2 60,-0.2 -0.949 55.0-168.8-121.0 123.5 -12.2 19.1 32.7 29 29 A D S S+ 0 0 62 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.894 79.3 41.9 -73.5 -35.8 -14.0 18.4 35.9 30 30 A D S S- 0 0 44 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.605 82.5-119.0-108.1 164.7 -10.7 18.9 37.7 31 31 A T - 0 0 0 43,-0.4 45,-2.0 -2,-0.2 2,-0.4 -0.882 35.4-177.4 -99.7 129.3 -7.8 21.2 37.5 32 32 A V E -gH 76 84B 6 52,-1.2 52,-3.0 -2,-0.5 2,-0.3 -0.995 4.4-164.9-131.2 126.1 -4.6 19.2 36.7 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.3 -2,-0.4 50,-0.1 -0.824 28.5 -99.6-114.8 160.3 -1.2 20.9 36.5 34 34 A E - 0 0 81 -2,-0.3 2,-0.4 43,-0.2 -1,-0.1 -0.132 66.2 -76.2 -57.2 163.3 2.2 19.9 35.1 35 35 A E + 0 0 136 43,-0.3 2,-0.2 45,-0.2 -1,-0.2 -0.507 67.6 156.6 -71.6 126.2 4.5 18.7 37.9 36 36 A M - 0 0 20 -2,-0.4 2,-0.9 -3,-0.1 -20,-0.0 -0.738 53.7 -92.8-134.0-178.7 5.9 21.5 40.0 37 37 A S + 0 0 105 -2,-0.2 -2,-0.0 -21,-0.1 0, 0.0 -0.921 52.5 172.2-104.2 107.0 7.2 21.7 43.6 38 38 A L - 0 0 10 -2,-0.9 2,-0.1 2,-0.1 -2,-0.0 -0.970 31.8-118.3-116.2 133.1 4.0 22.6 45.4 39 39 A P + 0 0 99 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.442 64.6 34.9 -74.8 145.4 4.3 22.6 49.3 40 40 A G S S- 0 0 69 -2,-0.1 2,-0.3 19,-0.0 -2,-0.1 -0.738 88.1 -41.8 122.2-169.7 2.3 20.2 51.5 41 41 A R - 0 0 232 -2,-0.2 19,-0.3 19,-0.1 2,-0.3 -0.763 49.0-167.1-101.7 153.4 0.7 16.7 51.9 42 42 A W - 0 0 80 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.979 15.5-137.4-146.3 122.2 -1.2 15.2 48.8 43 43 A K E -I 58 0B 162 15,-1.4 15,-3.1 -2,-0.3 2,-0.2 -0.465 32.5-111.1 -70.6 152.4 -3.5 12.1 48.7 44 44 A P E +I 57 0B 89 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.646 48.0 160.3 -69.4 153.5 -3.0 9.7 45.7 45 45 A K E -I 56 0B 64 11,-1.4 11,-2.5 -2,-0.2 2,-0.3 -0.905 27.2-142.0-162.0 169.1 -5.8 9.7 43.1 46 46 A M E -I 55 0B 130 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.980 14.5-165.1-140.2 147.7 -6.0 8.7 39.4 47 47 A I E -I 54 0B 26 7,-2.2 7,-1.9 -2,-0.3 2,-0.3 -0.901 8.1-140.1-130.4 161.8 -7.9 10.4 36.6 48 48 A G E +I 53 0B 62 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.936 28.8 147.1-120.5 159.4 -9.0 9.4 33.0 49 49 A G - 0 0 33 3,-2.9 2,-0.3 101,-0.5 102,-0.1 -0.468 67.1 -38.0-153.5-138.9 -9.1 11.2 29.7 50 50 A I S S+ 0 0 28 1,-0.2 102,-1.4 -2,-0.2 99,-0.3 -0.732 129.1 27.1 -93.8 149.6 -8.6 9.8 26.2 51 51 A G B S-K 151 0C 47 -2,-0.3 2,-0.4 100,-0.2 102,-0.2 0.001 123.3 -77.5 96.6 -40.5 -5.8 7.2 26.1 52 52 A G - 0 0 25 98,-0.9 -3,-2.9 100,-0.3 2,-0.3 -0.976 63.1 -34.8 161.0-139.0 -6.3 6.2 29.6 53 53 A F E -I 48 0B 160 -2,-0.4 2,-0.3 98,-0.3 -5,-0.2 -0.901 36.4-160.9-131.2 145.7 -5.7 7.1 33.1 54 54 A I E -I 47 0B 18 -7,-1.9 -7,-2.2 -2,-0.3 2,-0.5 -0.853 23.9-119.2-127.0 157.4 -2.8 8.8 34.9 55 55 A K E -I 46 0B 99 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.867 38.5-177.9 -96.0 134.5 -1.9 8.8 38.6 56 56 A V E -I 45 0B 2 -11,-2.5 -11,-1.4 -2,-0.5 2,-0.6 -0.881 30.6-117.6-129.6 163.9 -1.9 12.3 40.1 57 57 A R E -IJ 44 77B 85 20,-2.6 20,-1.8 -2,-0.3 2,-0.6 -0.914 28.9-140.8 -99.9 117.9 -1.1 13.9 43.5 58 58 A Q E -IJ 43 76B 42 -15,-3.1 -15,-1.4 -2,-0.6 2,-0.4 -0.745 21.1-177.6 -81.0 122.5 -4.4 15.5 45.0 59 59 A Y E - J 0 75B 7 16,-2.5 16,-2.3 -2,-0.6 2,-0.3 -0.951 11.9-162.1-112.2 131.1 -3.4 18.8 46.7 60 60 A D E + 0 0 79 -2,-0.4 14,-0.2 -19,-0.3 -19,-0.1 -0.901 63.4 24.4-120.1 154.0 -6.6 20.4 48.3 61 61 A Q E S+ 0 0 152 -2,-0.3 2,-0.4 1,-0.2 13,-0.2 0.817 78.4 157.9 62.4 45.4 -7.1 24.0 49.5 62 62 A I E - J 0 73B 27 11,-3.0 11,-2.4 -3,-0.3 2,-0.4 -0.776 36.8-134.9 -97.7 136.4 -4.4 25.4 47.1 63 63 A L E + J 0 72B 91 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.707 28.0 175.1 -91.3 141.7 -4.8 29.1 46.3 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-2.0 -2,-0.4 2,-0.7 -0.996 24.9-145.9-149.9 129.9 -4.3 30.0 42.7 65 65 A E E -EJ 14 70B 62 -51,-2.5 -51,-2.3 -2,-0.4 2,-0.4 -0.934 17.0-170.1 -97.5 112.7 -4.7 33.3 41.0 66 66 A I E > S-EJ 13 69B 0 3,-2.5 3,-2.9 -2,-0.7 -53,-0.2 -0.895 77.3 -20.7-101.6 130.8 -6.1 32.8 37.5 67 67 A C T 3 S- 0 0 56 -55,-2.1 -1,-0.2 -2,-0.4 -54,-0.1 0.792 126.6 -54.5 35.1 41.3 -6.0 36.1 35.5 68 68 A G T 3 S+ 0 0 55 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.345 116.2 114.5 83.6 -13.1 -5.8 38.2 38.8 69 69 A H E < - J 0 66B 70 -3,-2.9 -3,-2.5 24,-0.0 2,-0.3 -0.808 61.4-143.1 -86.6 127.9 -9.0 36.5 40.1 70 70 A K E + J 0 65B 145 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.745 26.2 166.4 -98.5 151.9 -8.0 34.4 43.2 71 71 A A E - J 0 64B 6 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.4 -0.918 23.7-145.3-150.9 164.9 -9.6 31.1 44.0 72 72 A I E + J 0 63B 64 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.991 40.7 122.1-140.5 128.5 -8.8 28.2 46.3 73 73 A G E - 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