==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ACID PROTEASE) 04-MAY-96 1GNM . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR L.HONG,A.TREHARNE,J.A.HARTSUCK,S.FOUNDLING,J.TANG . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 37.4 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 . 27 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 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 4 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 0 PARALLEL BRIDGES PER LADDER . 2 0 5 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 80 0, 0.0 198,-1.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 128.8 -12.6 39.0 29.5 2 2 A Q E -A 198 0A 133 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.882 360.0-157.7 -90.3 126.8 -14.6 37.6 26.7 3 3 A I E -A 197 0A 32 194,-3.3 194,-3.4 -2,-0.5 2,-0.2 -0.941 4.6-152.9-117.2 129.7 -12.5 34.9 25.1 4 4 A T E > -A 196 0A 57 -2,-0.5 3,-0.6 192,-0.2 192,-0.1 -0.658 17.0-130.3 -96.2 156.3 -13.1 33.7 21.5 5 5 A L T 3 S+ 0 0 0 190,-0.6 186,-0.2 -2,-0.2 185,-0.1 0.321 80.2 98.8-100.2 8.6 -12.1 30.2 20.5 6 6 A W T 3 S+ 0 0 177 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.763 92.5 36.1 -60.4 -26.3 -10.1 30.7 17.4 7 7 A Q S < S- 0 0 113 -3,-0.6 0, 0.0 3,-0.0 0, 0.0 -0.840 108.9 -84.3-123.4 163.6 -6.9 30.4 19.5 8 8 A R - 0 0 122 -2,-0.3 2,-1.3 1,-0.1 119,-0.1 -0.395 47.4-119.2 -63.5 143.7 -6.3 28.1 22.5 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.677 47.8 168.6 -92.2 92.1 -7.7 29.9 25.6 10 10 A L E -D 23 0B 76 -2,-1.3 2,-0.3 13,-0.3 13,-0.2 -0.802 9.5-178.1-104.1 140.1 -4.5 30.2 27.7 11 11 A V E -D 22 0B 14 11,-2.3 11,-2.9 -2,-0.3 2,-0.4 -0.922 30.2-107.1-142.4 153.8 -4.3 32.4 30.7 12 12 A T E -D 21 0B 80 -2,-0.3 55,-3.4 9,-0.2 2,-0.4 -0.731 36.1-172.9 -84.8 129.8 -1.6 33.2 33.2 13 13 A I E -DE 20 66B 1 7,-3.6 7,-2.6 -2,-0.4 2,-0.5 -0.930 18.7-149.4-117.6 150.3 -1.9 31.6 36.7 14 14 A K E +DE 19 65B 107 51,-2.3 51,-2.5 -2,-0.4 2,-0.4 -0.991 29.6 166.0-111.5 122.0 0.2 32.2 39.8 15 15 A I E > -DE 18 64B 0 3,-2.2 3,-2.0 -2,-0.5 49,-0.1 -0.999 63.7 -10.5-140.7 126.5 0.2 29.0 41.8 16 16 A G T 3 S- 0 0 39 47,-0.8 21,-0.1 -2,-0.4 3,-0.1 0.839 125.8 -55.0 49.4 45.8 2.6 28.3 44.7 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.440 118.3 100.8 72.8 2.7 4.8 31.3 44.1 18 18 A Q E < -D 15 0B 67 -3,-2.0 -3,-2.2 2,-0.0 2,-0.4 -0.822 68.0-125.2-118.1 156.0 5.5 30.4 40.4 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.855 33.8 166.2-110.7 136.7 4.0 31.7 37.2 20 20 A K E -D 13 0B 30 -7,-2.6 -7,-3.6 -2,-0.4 2,-0.4 -0.936 34.4-126.0-142.9 158.4 2.4 29.5 34.6 21 21 A E E -D 12 0B 119 -2,-0.3 2,-0.3 -9,-0.3 62,-0.3 -0.900 34.4-175.0-100.4 139.4 0.2 29.5 31.6 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.3 -0.969 24.3-118.4-138.9 150.6 -2.9 27.3 31.8 23 23 A L E -Df 10 84B 7 60,-2.8 62,-2.6 -2,-0.3 2,-0.7 -0.738 23.4-128.8 -85.2 141.4 -5.7 26.2 29.4 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.5 -2,-0.3 62,-0.2 -0.810 34.7-174.5 -87.5 114.9 -9.3 27.1 30.3 25 25 A D > + 0 0 13 60,-2.8 3,-1.7 -2,-0.7 62,-0.2 -0.830 27.1 179.1-123.2 102.6 -11.0 23.7 29.9 26 26 A T T 3 S+ 0 0 0 -2,-0.5 98,-0.1 1,-0.3 -1,-0.1 0.608 88.0 60.2 -72.1 -7.6 -14.8 23.3 30.3 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.448 88.5 86.9 -95.1 -1.7 -14.5 19.6 29.6 28 28 A A < - 0 0 14 -3,-1.7 59,-2.4 57,-0.2 60,-0.2 -0.864 58.2-167.1 -98.8 122.6 -12.2 19.1 32.6 29 29 A D S S+ 0 0 53 -2,-0.5 59,-0.9 57,-0.2 2,-0.2 0.868 77.0 32.4 -76.3 -28.1 -14.1 18.5 35.9 30 30 A D S S- 0 0 42 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.553 85.8-104.2-120.8 177.3 -10.9 19.2 37.8 31 31 A T + 0 0 0 43,-0.4 45,-3.6 54,-0.2 2,-0.4 -0.913 36.8 179.5-108.4 127.0 -7.7 21.2 37.6 32 32 A V E -gH 76 84B 8 52,-1.9 52,-3.4 -2,-0.5 2,-0.3 -0.982 3.9-174.7-138.8 120.8 -4.6 19.4 36.6 33 33 A L E -g 77 0B 0 43,-3.3 45,-1.9 -2,-0.4 47,-0.2 -0.815 32.8 -99.5-112.3 155.0 -1.1 20.9 36.3 34 34 A E - 0 0 86 -2,-0.3 -1,-0.1 1,-0.2 49,-0.0 -0.189 69.2 -60.4 -62.6 158.4 2.1 19.4 35.0 35 35 A E S S+ 0 0 126 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.106 77.3 145.9 -47.7 134.1 4.6 18.2 37.7 36 36 A M - 0 0 17 -3,-0.2 2,-0.6 2,-0.0 -3,-0.0 -0.930 50.6 -86.0-156.0 174.7 5.6 21.1 39.9 37 37 A S + 0 0 82 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.867 43.1 167.8-106.4 120.4 6.5 21.8 43.5 38 38 A L - 0 0 18 -2,-0.6 2,-0.3 2,-0.1 -2,-0.0 -0.904 32.6-127.1-118.5 140.1 3.8 22.5 45.9 39 39 A P + 0 0 104 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.713 67.5 57.9 -82.7 149.8 4.3 22.7 49.6 40 40 A G S S- 0 0 59 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.491 86.0 -62.7 124.3 171.3 1.8 20.4 51.5 41 41 A R - 0 0 227 -2,-0.2 19,-0.3 19,-0.1 2,-0.3 -0.654 50.1-172.7 -87.9 148.7 0.5 16.9 52.0 42 42 A W - 0 0 106 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.905 16.4-134.6-138.4 163.9 -1.2 15.3 49.1 43 43 A K E -I 58 0B 135 15,-1.9 15,-3.3 -2,-0.3 13,-0.0 -0.969 28.2-108.5-120.9 140.7 -3.2 12.1 48.4 44 44 A P E +I 57 0B 85 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.153 48.4 155.6 -51.5 151.6 -2.8 9.7 45.5 45 45 A K E -I 56 0B 67 11,-2.0 11,-4.8 12,-0.0 2,-0.4 -0.960 31.0-135.6-176.0 161.4 -5.5 9.6 42.9 46 46 A M E -I 55 0B 114 9,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.986 13.5-168.0-130.4 140.4 -6.3 8.8 39.3 47 47 A I E -I 54 0B 20 7,-1.7 7,-1.8 -2,-0.4 2,-0.4 -0.830 18.8-126.6-120.8 162.5 -8.3 10.6 36.6 48 48 A G E +I 53 0B 53 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.876 31.7 164.0-111.7 137.3 -9.6 9.5 33.2 49 49 A G E > -I 52 0B 17 3,-3.3 3,-0.5 -2,-0.4 102,-0.1 -0.582 55.2 -75.6-131.1-160.1 -8.9 11.5 30.1 50 50 A I T 3 S+ 0 0 29 1,-0.2 101,-0.1 -2,-0.2 103,-0.1 0.958 126.7 43.5 -75.6 -46.6 -9.2 10.6 26.4 51 51 A G T 3 S- 0 0 23 99,-0.8 2,-0.4 101,-0.3 102,-0.2 0.380 125.3 -83.0 -83.1 10.8 -6.1 8.4 26.0 52 52 A G E < -I 49 0B 27 98,-0.6 -3,-3.3 -3,-0.5 2,-0.4 -0.977 68.3 -30.4 128.1-146.2 -6.7 6.5 29.3 53 53 A F E -I 48 0B 169 -2,-0.4 2,-0.3 98,-0.3 -5,-0.2 -0.919 40.1-162.4-124.4 133.5 -5.9 7.1 33.0 54 54 A I E -I 47 0B 20 -7,-1.8 -7,-1.7 -2,-0.4 2,-0.5 -0.790 20.2-129.9-106.5 158.7 -3.2 9.0 34.8 55 55 A K E +I 46 0B 104 -2,-0.3 -9,-0.3 -9,-0.2 2,-0.2 -0.936 39.6 165.9-106.2 119.1 -2.2 8.7 38.5 56 56 A V E -I 45 0B 2 -11,-4.8 -11,-2.0 -2,-0.5 2,-0.4 -0.657 32.3-121.4-125.1-177.6 -2.0 12.2 40.1 57 57 A R E -IJ 44 77B 64 20,-1.6 20,-1.5 -13,-0.2 2,-0.4 -0.995 23.3-137.4-129.8 126.1 -1.8 13.5 43.7 58 58 A Q E -IJ 43 76B 38 -15,-3.3 -15,-1.9 -2,-0.4 2,-0.4 -0.728 16.2-174.1 -96.3 146.8 -4.4 15.9 45.0 59 59 A Y E - J 0 75B 9 16,-1.7 16,-2.1 -2,-0.4 2,-0.3 -0.983 15.3-155.7-120.7 130.3 -3.7 18.9 47.2 60 60 A D E + 0 0 84 -2,-0.4 14,-0.2 -19,-0.3 -19,-0.1 -0.732 68.7 27.2-110.4 153.9 -6.7 20.7 48.6 61 61 A Q E S+ 0 0 142 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.928 76.0 160.4 62.0 44.4 -7.0 24.4 49.6 62 62 A I E - J 0 73B 22 11,-2.8 11,-1.4 -3,-0.3 2,-0.5 -0.844 39.9-127.2 -96.9 121.7 -4.3 25.5 47.2 63 63 A L E - J 0 72B 89 -2,-0.6 -47,-0.8 9,-0.2 2,-0.4 -0.593 32.7-179.1 -72.4 128.1 -4.4 29.3 46.6 64 64 A I E -EJ 15 71B 0 7,-3.3 7,-2.8 -2,-0.5 2,-0.7 -0.961 20.5-156.3-135.8 132.9 -4.5 30.0 42.9 65 65 A E E -EJ 14 70B 62 -51,-2.5 -51,-2.3 -2,-0.4 2,-0.8 -0.867 14.0-167.6-109.0 115.1 -4.6 33.3 41.1 66 66 A I E > S-EJ 13 69B 0 3,-3.4 3,-1.5 -2,-0.7 -53,-0.2 -0.842 72.1 -28.0-113.1 103.9 -6.0 33.0 37.6 67 67 A C T 3 S- 0 0 42 -55,-3.4 2,-0.5 -2,-0.8 -1,-0.3 0.986 127.6 -45.7 53.5 67.0 -5.6 36.0 35.5 68 68 A G T 3 S+ 0 0 64 -3,-0.3 2,-0.4 -56,-0.2 -1,-0.3 0.391 118.1 112.4 62.3 -11.9 -5.5 38.3 38.5 69 69 A H E < - 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