==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-00 1G35 . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.LINDBERG,T.UNGE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 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 . 70 35.4 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 . 25 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 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 . 2 4 1 0 0 2 2 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 95 0, 0.0 198,-1.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 174.2 30.1 39.3 4.6 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.956 360.0-159.4-111.2 121.8 29.8 36.8 1.8 3 3 A I E -A 197 0A 36 194,-3.4 194,-2.4 -2,-0.6 2,-0.1 -0.900 4.8-150.3-107.0 121.4 28.8 33.3 2.9 4 4 A T - 0 0 65 -2,-0.6 3,-0.4 192,-0.2 192,-0.1 -0.490 12.3-135.1 -83.9 160.2 29.6 30.4 0.7 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.077 74.5 107.3-106.8 25.2 27.3 27.3 0.7 6 6 A W S S+ 0 0 177 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.813 94.2 25.3 -66.8 -30.3 29.9 24.5 0.8 7 7 A Q S S- 0 0 132 -3,-0.4 0, 0.0 1,-0.0 0, 0.0 -0.831 111.1 -73.7-126.3 165.9 28.8 24.1 4.4 8 8 A R - 0 0 116 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.352 49.9-115.9 -59.9 136.4 25.6 24.9 6.2 9 9 A P + 0 0 3 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.534 49.4 171.2 -79.1 82.6 25.3 28.6 6.7 10 10 A L E +D 23 0B 71 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.764 4.7 174.5 -97.3 137.6 25.4 28.6 10.5 11 11 A V E -D 22 0B 13 11,-2.9 11,-2.9 -2,-0.4 2,-0.4 -0.894 32.5-108.0-136.7 166.3 25.6 31.8 12.5 12 12 A T E -D 21 0B 83 -2,-0.3 55,-1.6 9,-0.2 2,-0.3 -0.809 35.9-175.3 -96.3 133.2 25.5 33.1 16.1 13 13 A I E -DE 20 66B 0 7,-2.8 7,-2.4 -2,-0.4 2,-0.5 -0.900 17.4-142.9-125.8 157.7 22.4 34.9 17.2 14 14 A K E +DE 19 65B 78 51,-1.8 51,-2.1 -2,-0.3 2,-0.3 -0.988 28.9 158.9-123.5 122.1 21.6 36.7 20.5 15 15 A I E > -D 18 0B 2 3,-2.6 3,-1.1 -2,-0.5 49,-0.1 -0.959 68.7 -2.5-147.2 124.4 18.1 36.5 21.8 16 16 A G T 3 S- 0 0 60 47,-0.4 3,-0.1 -2,-0.3 48,-0.1 0.806 128.8 -59.4 66.7 28.4 16.8 37.0 25.4 17 17 A G T 3 S+ 0 0 59 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.645 115.5 118.1 74.1 13.9 20.4 37.5 26.5 18 18 A Q E < -D 15 0B 84 -3,-1.1 -3,-2.6 2,-0.0 2,-0.5 -0.924 59.0-139.7-116.5 139.0 21.2 34.0 25.2 19 19 A L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.851 30.9 168.1 -98.3 129.8 23.7 33.1 22.5 20 20 A K E -D 13 0B 33 -7,-2.4 -7,-2.8 -2,-0.5 2,-0.4 -0.903 35.0-116.6-136.4 163.2 22.5 30.4 20.1 21 21 A E E -D 12 0B 121 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.874 38.0-179.6-102.5 133.5 23.6 28.9 16.7 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.9 -2,-0.4 2,-0.4 -0.961 26.6-123.3-136.8 155.1 21.1 29.2 13.9 23 23 A L E -Df 10 84B 6 60,-2.7 62,-3.0 -2,-0.3 2,-0.8 -0.820 22.6-130.8 -97.8 128.5 20.8 28.3 10.2 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.729 33.5-172.3 -79.7 112.9 20.2 31.1 7.7 25 25 A D > - 0 0 17 60,-2.6 3,-1.4 -2,-0.8 62,-0.3 -0.859 24.0-179.6-118.1 98.6 17.3 29.5 5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.667 85.8 61.4 -68.7 -14.9 16.0 31.3 2.6 27 27 A G T 3 S+ 0 0 15 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.623 87.7 87.6 -85.2 -12.6 13.4 28.6 2.2 28 28 A A < - 0 0 17 -3,-1.4 59,-3.1 57,-0.2 60,-0.2 -0.763 59.8-161.1 -92.3 125.0 11.7 29.5 5.5 29 29 A D S S+ 0 0 55 -2,-0.5 59,-1.6 57,-0.2 2,-0.2 0.908 78.6 22.6 -66.8 -43.2 9.0 32.2 5.5 30 30 A D S S- 0 0 52 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.680 86.2 -99.1-120.6 175.3 9.4 32.7 9.3 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.9 -2,-0.2 2,-0.4 -0.806 33.6-171.9 -98.5 131.9 11.9 32.2 12.1 32 32 A V E -gH 76 84B 6 52,-1.7 52,-3.1 -2,-0.4 2,-0.3 -0.986 1.9-174.3-130.7 126.8 11.6 29.2 14.3 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.3 -2,-0.4 47,-0.3 -0.852 31.4 -97.1-119.6 154.3 13.6 28.5 17.5 34 34 A E - 0 0 79 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.164 68.5 -59.5 -61.2 159.7 13.9 25.5 19.8 35 35 A E S S+ 0 0 111 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.115 78.1 138.9 -44.8 130.1 11.8 25.6 23.1 36 36 A M - 0 0 19 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.965 52.5 -93.7-166.6 164.7 12.7 28.5 25.2 37 37 A S + 0 0 100 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.782 39.9 174.8 -96.4 131.0 11.1 31.2 27.4 38 38 A L - 0 0 15 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.963 28.9-112.7-131.6 148.8 10.2 34.6 26.0 39 39 A P S S+ 0 0 105 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.410 72.9 36.9 -79.1 156.0 8.3 37.5 27.5 40 40 A G S S- 0 0 66 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.323 93.6 -52.2 98.0 177.3 4.8 38.7 26.4 41 41 A R - 0 0 217 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.502 52.5-161.3 -89.6 161.8 1.7 36.9 25.1 42 42 A W - 0 0 109 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.907 12.0-138.7-140.0 167.7 1.7 34.4 22.3 43 43 A K E -I 58 0B 103 15,-1.3 15,-3.0 -2,-0.3 2,-0.1 -0.984 27.0-115.0-129.6 138.5 -0.6 32.6 19.9 44 44 A P E +I 57 0B 84 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.430 39.8 171.4 -73.0 148.0 -0.6 29.0 18.9 45 45 A K E -I 56 0B 76 11,-2.0 11,-2.9 -2,-0.1 2,-0.5 -0.984 27.1-136.6-152.8 156.0 0.2 28.2 15.2 46 46 A M E -I 55 0B 117 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.978 21.6-176.8-119.7 126.9 0.9 25.1 13.1 47 47 A I E -I 54 0B 32 7,-2.1 7,-2.2 -2,-0.5 2,-0.3 -0.959 6.1-163.4-124.2 143.6 3.8 25.1 10.6 48 48 A G E +I 53 0B 39 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.917 21.1 138.9-131.5 156.0 4.7 22.4 8.1 49 49 A G E > -I 52 0B 22 3,-2.2 3,-2.3 -2,-0.3 100,-0.1 -0.742 66.2 -13.7-159.2-154.9 7.5 21.2 5.9 50 50 A I T 3 S+ 0 0 25 1,-0.3 101,-1.5 -2,-0.2 102,-0.7 -0.399 133.0 23.6 -59.5 129.1 9.2 18.0 5.0 51 51 A G T 3 S- 0 0 34 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.194 121.9 -86.3 100.1 -18.2 8.0 15.4 7.5 52 52 A G E < -I 49 0B 26 -3,-2.3 -3,-2.2 100,-0.1 99,-0.3 -0.807 61.8 -33.9 120.7-160.5 4.8 17.2 8.4 53 53 A F E -I 48 0B 147 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.695 38.0-167.3-108.4 157.1 3.6 19.8 10.9 54 54 A I E -I 47 0B 21 -7,-2.2 -7,-2.1 -2,-0.2 2,-0.4 -0.953 26.3-114.9-136.9 154.7 4.5 20.9 14.4 55 55 A K E +I 46 0B 138 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.784 38.9 175.8 -93.8 133.9 2.8 23.2 16.9 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.5 -0.861 31.0-118.8-132.5 166.5 4.7 26.4 17.8 57 57 A R E -IJ 44 77B 60 20,-2.6 20,-2.5 -2,-0.3 2,-0.6 -0.935 27.8-140.5-108.0 127.7 4.1 29.5 19.9 58 58 A Q E -IJ 43 76B 32 -15,-3.0 -15,-1.3 -2,-0.5 2,-0.4 -0.803 18.9-176.1 -95.9 118.4 4.1 32.8 18.0 59 59 A Y E - J 0 75B 6 16,-2.8 16,-2.8 -2,-0.6 3,-0.3 -0.933 11.2-153.3-110.9 134.1 5.8 35.8 19.6 60 60 A D E + 0 0 63 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.0 -0.692 66.2 21.2-106.6 160.4 5.7 39.1 17.9 61 61 A Q E S+ 0 0 146 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.902 76.7 163.2 53.6 50.5 8.1 42.1 18.1 62 62 A I E - J 0 73B 19 11,-2.4 11,-1.9 -3,-0.3 2,-0.5 -0.815 33.7-132.7-100.0 138.1 11.1 40.2 19.4 63 63 A L E + J 0 72B 86 -2,-0.4 -47,-0.4 9,-0.2 2,-0.4 -0.774 29.7 173.7 -92.5 130.7 14.5 41.7 19.2 64 64 A I E - J 0 71B 0 7,-2.9 7,-2.1 -2,-0.5 2,-0.6 -0.997 23.7-145.1-138.4 142.5 17.3 39.5 17.8 65 65 A E E -EJ 14 70B 58 -51,-2.1 -51,-1.8 -2,-0.4 2,-0.6 -0.932 14.7-171.8-109.6 119.5 21.0 40.2 16.9 66 66 A I E > S-EJ 13 69B 0 3,-2.6 3,-2.1 -2,-0.6 -53,-0.2 -0.938 73.8 -29.3-114.8 111.7 22.3 38.3 13.9 67 67 A C T 3 S- 0 0 62 -55,-1.6 -1,-0.2 -2,-0.6 -54,-0.1 0.876 128.3 -45.0 50.5 42.7 26.1 38.7 13.4 68 68 A G T 3 S+ 0 0 65 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.387 114.8 117.3 86.2 -4.9 26.0 42.1 15.0 69 69 A H E < - J 0 66B 71 -3,-2.1 -3,-2.6 2,-0.0 -1,-0.2 -0.871 58.2-140.3-102.6 117.5 22.9 43.3 13.1 70 70 A K E + J 0 65B 143 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.490 27.7 172.4 -74.2 142.0 19.9 44.1 15.2 71 71 A A E - 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