==== 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 1GNO . 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) . 9880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 69.2 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 . 71 35.9 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 . 33 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 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 1 4 0 0 4 0 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 82 0, 0.0 198,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 160.1 -12.8 39.1 29.8 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.876 360.0-160.3-103.7 116.0 -14.5 37.6 26.7 3 3 A I E -A 197 0A 32 194,-3.5 194,-3.1 -2,-0.6 2,-0.1 -0.835 4.1-153.7-114.6 124.7 -12.5 34.8 25.0 4 4 A T - 0 0 57 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.368 17.8-130.9 -82.4 159.2 -12.9 33.6 21.5 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.2 -1,-0.1 0.422 79.2 101.0-105.2 8.2 -12.0 30.1 20.5 6 6 A W S S+ 0 0 178 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.889 94.0 30.8 -59.8 -41.2 -9.9 30.7 17.4 7 7 A Q S S- 0 0 120 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.829 110.6 -80.2-111.1 159.3 -6.8 30.2 19.5 8 8 A R - 0 0 132 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.291 47.7-114.2 -51.3 133.7 -6.5 27.9 22.6 9 9 A P + 0 0 2 0, 0.0 15,-3.4 0, 0.0 2,-0.3 -0.518 52.1 171.2 -74.0 84.2 -7.9 29.7 25.7 10 10 A L E -D 23 0B 81 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.711 8.9-176.1 -97.9 144.0 -4.6 30.1 27.6 11 11 A V E -D 22 0B 10 11,-2.8 11,-2.0 -2,-0.3 2,-0.5 -0.912 28.1-111.8-138.7 162.9 -4.3 32.1 30.7 12 12 A T E -D 21 0B 92 -2,-0.3 55,-2.3 9,-0.2 2,-0.4 -0.794 35.9-178.3 -92.8 128.6 -1.6 33.2 33.1 13 13 A I E -DE 20 66B 3 7,-3.2 7,-2.7 -2,-0.5 2,-0.5 -0.947 21.2-151.4-118.4 151.9 -1.8 31.6 36.6 14 14 A K E +DE 19 65B 93 51,-1.8 51,-2.4 -2,-0.4 2,-0.4 -0.998 27.5 168.9-113.1 119.1 0.4 32.2 39.7 15 15 A I E > -DE 18 64B 0 3,-2.6 3,-1.3 -2,-0.5 49,-0.1 -0.994 66.2 -7.0-134.0 123.4 0.3 29.0 41.8 16 16 A G T 3 S- 0 0 46 47,-0.7 3,-0.1 -2,-0.4 -1,-0.1 0.867 128.9 -55.7 63.2 36.0 2.7 28.4 44.7 17 17 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.556 117.2 112.0 71.9 9.5 4.7 31.6 44.0 18 18 A Q E < -D 15 0B 63 -3,-1.3 -3,-2.6 19,-0.1 2,-0.3 -0.946 63.7-132.5-119.2 135.2 5.4 30.3 40.4 19 19 A L E +D 14 0B 131 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.682 36.3 157.9 -89.2 136.0 4.0 31.8 37.1 20 20 A K E -D 13 0B 33 -7,-2.7 -7,-3.2 -2,-0.3 2,-0.4 -0.938 37.0-123.7-144.6 165.5 2.5 29.3 34.6 21 21 A E E -D 12 0B 119 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.896 31.4-175.9-108.3 145.7 0.1 29.3 31.6 22 22 A A E -D 11 0B 0 -11,-2.0 -11,-2.8 -2,-0.4 2,-0.5 -0.963 26.6-113.4-141.4 157.5 -2.9 27.0 31.7 23 23 A L E -Df 10 84B 8 60,-3.1 62,-2.6 -2,-0.3 2,-0.7 -0.813 23.9-130.3 -91.8 128.9 -5.7 26.1 29.4 24 24 A L E - f 0 85B 0 -15,-3.4 2,-0.4 -2,-0.5 62,-0.1 -0.708 39.1-177.1 -67.9 112.9 -9.3 27.2 30.4 25 25 A D > - 0 0 17 60,-2.1 3,-1.3 -2,-0.7 62,-0.2 -0.854 31.0-177.5-127.4 108.1 -11.0 23.9 29.9 26 26 A T T 3 S+ 0 0 0 -2,-0.4 98,-0.1 1,-0.3 -1,-0.1 0.564 88.2 61.9 -67.5 -12.2 -14.9 23.1 30.3 27 27 A G T 3 S+ 0 0 24 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.456 88.9 87.7 -93.3 0.7 -14.4 19.4 29.5 28 28 A A < - 0 0 14 -3,-1.3 59,-2.8 57,-0.2 60,-0.2 -0.857 56.6-170.7-100.2 115.1 -12.2 19.1 32.6 29 29 A D S S+ 0 0 52 -2,-0.6 59,-0.8 57,-0.2 2,-0.2 0.850 76.6 32.5 -72.3 -28.1 -14.1 18.5 35.9 30 30 A D S S- 0 0 48 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.564 84.1-107.7-122.0 178.7 -10.8 19.2 37.7 31 31 A T + 0 0 0 43,-0.4 45,-2.8 54,-0.2 2,-0.4 -0.940 35.3 179.8-109.3 126.5 -7.7 21.2 37.6 32 32 A V E -gH 76 84B 8 52,-1.5 52,-2.7 -2,-0.5 2,-0.3 -0.991 3.7-172.2-136.8 124.0 -4.5 19.3 36.8 33 33 A L E -g 77 0B 0 43,-2.5 45,-2.2 -2,-0.4 47,-0.2 -0.848 32.6 -98.7-114.0 150.1 -1.0 20.9 36.5 34 34 A E - 0 0 86 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.155 67.7 -64.6 -56.2 160.2 2.2 19.3 35.3 35 35 A E S S+ 0 0 104 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.209 76.1 154.7 -48.0 133.6 4.6 18.2 38.0 36 36 A M - 0 0 20 -3,-0.1 2,-0.8 2,-0.0 -3,-0.0 -0.913 51.5 -83.5-153.2 176.5 5.6 21.2 40.0 37 37 A S + 0 0 83 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.833 53.2 166.2 -95.5 105.2 6.9 22.0 43.5 38 38 A L - 0 0 20 -2,-0.8 2,-0.3 2,-0.1 -2,-0.0 -0.960 29.7-132.8-124.1 134.4 3.9 22.4 45.7 39 39 A P + 0 0 101 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.695 61.3 51.3 -85.5 142.0 4.1 22.5 49.5 40 40 A G S S- 0 0 65 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.745 86.0 -58.1 130.1-178.5 1.7 20.4 51.5 41 41 A R - 0 0 233 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.874 50.9-170.1-102.6 135.7 0.3 16.9 52.0 42 42 A W - 0 0 98 -2,-0.4 17,-0.2 17,-0.1 -2,-0.0 -0.974 16.9-132.8-129.6 147.9 -1.4 15.3 49.0 43 43 A K E -I 58 0B 142 15,-2.0 15,-4.9 -2,-0.3 2,-0.1 -0.733 31.2-108.5 -96.6 144.9 -3.6 12.1 48.5 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.374 48.6 166.1 -64.6 143.9 -3.0 9.7 45.6 45 45 A K E -I 56 0B 63 11,-2.3 11,-3.7 -2,-0.1 2,-0.4 -0.984 28.9-142.6-159.7 162.0 -5.6 9.8 42.8 46 46 A M E -I 55 0B 135 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.988 14.7-177.5-140.4 127.6 -6.4 8.8 39.3 47 47 A I E -I 54 0B 18 7,-1.6 7,-2.7 -2,-0.4 2,-0.4 -0.839 16.3-140.1-114.8 153.9 -8.3 10.7 36.6 48 48 A G E +I 53 0B 49 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.943 26.5 158.9-118.9 148.8 -9.2 9.6 33.1 49 49 A G - 0 0 27 3,-3.1 3,-0.4 -2,-0.4 100,-0.0 -0.422 58.5 -43.7-139.1-144.5 -9.1 11.7 29.9 50 50 A I S S+ 0 0 31 1,-0.2 103,-0.1 -2,-0.2 3,-0.1 0.936 129.6 22.6 -74.3 -53.2 -8.9 10.7 26.2 51 51 A G S S- 0 0 32 101,-0.6 2,-0.3 1,-0.1 102,-0.2 0.256 125.8 -63.0-101.8 19.1 -6.3 7.9 25.7 52 52 A G - 0 0 24 -3,-0.4 -3,-3.1 100,-0.2 2,-0.4 -0.983 65.9 -37.8 151.0-155.5 -6.5 6.7 29.3 53 53 A F E -I 48 0B 169 -2,-0.3 2,-0.3 98,-0.3 -5,-0.3 -0.896 37.7-162.9-118.1 136.7 -6.0 7.1 33.0 54 54 A I E -I 47 0B 20 -7,-2.7 -7,-1.6 -2,-0.4 2,-0.6 -0.818 20.0-125.0-116.6 161.8 -3.3 9.0 34.9 55 55 A K E +I 46 0B 102 -2,-0.3 -9,-0.3 -9,-0.2 2,-0.2 -0.919 37.3 176.6-107.7 120.2 -2.1 8.9 38.5 56 56 A V E -I 45 0B 0 -11,-3.7 -11,-2.3 -2,-0.6 2,-0.5 -0.595 31.5-119.8-117.1 175.6 -2.1 12.3 40.2 57 57 A R E -IJ 44 77B 62 20,-1.8 20,-1.8 -13,-0.2 2,-0.6 -0.987 28.7-139.3-115.4 123.4 -1.5 13.7 43.6 58 58 A Q E -IJ 43 76B 40 -15,-4.9 -15,-2.0 -2,-0.5 2,-0.5 -0.728 19.4-175.5 -89.2 123.9 -4.4 15.5 45.1 59 59 A Y E - J 0 75B 11 16,-2.3 16,-2.4 -2,-0.6 3,-0.4 -0.974 10.2-159.7-113.9 121.4 -3.7 18.8 47.0 60 60 A D E + 0 0 71 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.639 67.7 24.4-100.1 153.4 -6.7 20.4 48.6 61 61 A Q E S+ 0 0 135 -2,-0.2 2,-0.4 1,-0.2 13,-0.2 0.836 76.2 160.9 62.5 40.5 -6.9 24.1 49.7 62 62 A I E - J 0 73B 19 11,-3.3 11,-2.4 -3,-0.4 2,-0.4 -0.693 35.8-134.4 -87.6 136.0 -4.4 25.3 47.2 63 63 A L E + J 0 72B 90 -2,-0.4 -47,-0.7 9,-0.2 2,-0.4 -0.772 30.5 177.1 -88.1 133.9 -4.6 29.1 46.5 64 64 A I E -EJ 15 71B 0 7,-3.5 7,-1.6 -2,-0.4 2,-0.5 -0.983 22.1-148.2-144.6 136.5 -4.4 30.0 42.8 65 65 A E E -EJ 14 70B 56 -51,-2.4 -51,-1.8 -2,-0.4 2,-0.5 -0.902 11.9-174.8-108.8 129.3 -4.6 33.2 40.9 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-1.7 -2,-0.5 -53,-0.2 -0.954 78.5 -23.6-121.4 109.0 -6.0 33.2 37.3 67 67 A C T 3 S- 0 0 53 -55,-2.3 -1,-0.2 -2,-0.5 -54,-0.1 0.971 127.9 -49.7 55.2 48.2 -5.8 36.5 35.5 68 68 A G T 3 S+ 0 0 58 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.361 112.9 122.5 75.7 -19.5 -5.6 38.4 38.9 69 69 A H E < - J 0 66B 64 -3,-1.7 -3,-2.9 24,-0.0 2,-0.3 -0.699 57.1-143.2 -76.9 122.5 -8.6 36.5 40.2 70 70 A K E + J 0 65B 154 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.655 25.9 171.7 -82.8 143.8 -7.7 34.6 43.5 71 71 A A E - J 0 64B 3 -7,-1.6 -7,-3.5 -2,-0.3 2,-0.4 -0.957 20.9-150.6-148.9 144.4 -9.4 31.2 43.9 72 72 A I E + J 0 63B 79 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.978 41.7 113.5-119.6 130.5 -8.8 28.4 46.5 73 73 A G E - 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