==== 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 13-OCT-97 1AXA . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR L.HONG,J.A.HARTSUCK,S.FOUNDLING,J.ERMOLIEFF,J.TANG . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 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 . 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 . 30 15.2 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 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 2 3 0 0 3 1 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 74 0, 0.0 198,-1.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 145.7 -12.8 39.5 29.5 2 2 A Q E -A 198 0A 140 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.783 360.0-157.8 -89.9 121.2 -14.7 38.0 26.7 3 3 A I E -A 197 0A 32 194,-3.5 194,-2.8 -2,-0.6 2,-0.2 -0.915 2.8-152.8-110.4 127.7 -12.6 35.2 25.2 4 4 A T E -A 196 0A 62 -2,-0.5 3,-0.5 192,-0.2 192,-0.1 -0.590 17.1-131.1 -91.2 154.1 -13.1 33.9 21.6 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 -2,-0.2 185,-0.1 0.159 77.8 103.5 -95.3 19.3 -12.2 30.4 20.7 6 6 A W S S+ 0 0 176 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.870 91.8 29.9 -71.1 -31.0 -10.1 31.0 17.6 7 7 A Q S S- 0 0 125 -3,-0.5 0, 0.0 1,-0.0 0, 0.0 -0.833 110.9 -78.7-117.5 167.2 -7.0 30.4 19.6 8 8 A R - 0 0 137 -2,-0.3 2,-1.4 1,-0.1 119,-0.1 -0.428 50.9-115.4 -59.4 134.8 -6.5 28.1 22.6 9 9 A P + 0 0 3 0, 0.0 15,-3.3 0, 0.0 2,-0.4 -0.630 49.7 173.6 -83.1 87.5 -7.9 30.0 25.7 10 10 A L E -D 23 0B 79 -2,-1.4 2,-0.3 13,-0.2 13,-0.2 -0.811 10.4-179.6-101.6 141.0 -4.8 30.4 27.6 11 11 A V E -D 22 0B 9 11,-2.7 11,-2.8 -2,-0.4 2,-0.4 -0.906 27.7-112.9-139.7 155.4 -4.4 32.3 30.7 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.3 9,-0.2 2,-0.4 -0.756 32.9-170.6 -95.2 133.4 -1.6 33.1 33.1 13 13 A I E -DE 20 66B 2 7,-3.1 7,-3.0 -2,-0.4 2,-0.5 -0.915 17.4-151.5-121.7 154.9 -1.7 31.7 36.5 14 14 A K E +DE 19 65B 100 51,-1.7 51,-2.6 -2,-0.4 2,-0.4 -0.999 27.4 163.5-123.9 120.9 0.3 32.3 39.6 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-2.3 -2,-0.5 49,-0.1 -0.994 64.6 -7.5-144.0 126.4 0.4 29.4 41.9 16 16 A G T 3 S- 0 0 51 47,-0.7 3,-0.1 -2,-0.4 21,-0.1 0.906 127.4 -55.5 57.7 37.3 2.8 28.7 44.8 17 17 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.430 117.0 109.1 77.6 -3.2 5.0 31.7 43.9 18 18 A Q E < -D 15 0B 58 -3,-2.3 -3,-2.4 19,-0.1 2,-0.4 -0.868 62.3-135.9-111.0 142.8 5.5 30.5 40.3 19 19 A L E +D 14 0B 127 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.771 35.3 156.0 -97.5 137.9 4.1 31.9 37.1 20 20 A K E -D 13 0B 40 -7,-3.0 -7,-3.1 -2,-0.4 2,-0.4 -0.930 36.9-116.6-148.8 171.4 2.7 29.5 34.6 21 21 A E E -D 12 0B 120 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.886 31.5-177.1-110.7 153.8 0.3 29.4 31.8 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.5 -0.994 25.4-114.4-151.6 154.3 -2.9 27.3 31.7 23 23 A L E -Df 10 84B 13 60,-2.9 62,-3.2 -2,-0.3 2,-0.8 -0.747 24.0-129.6 -93.2 129.3 -5.7 26.3 29.5 24 24 A L E - f 0 85B 1 -15,-3.3 2,-0.6 -2,-0.5 62,-0.1 -0.598 35.8-173.5 -74.3 108.8 -9.2 27.3 30.3 25 25 A D > + 0 0 12 60,-2.7 3,-1.4 -2,-0.8 62,-0.4 -0.786 29.8 176.0-122.1 111.0 -11.1 24.0 30.0 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 99,-0.1 0.725 85.2 63.4 -74.0 -22.7 -14.9 23.5 30.2 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.432 91.3 79.4 -83.4 4.6 -14.6 19.8 29.4 28 28 A S < - 0 0 24 -3,-1.4 59,-2.8 57,-0.2 60,-0.2 -0.942 59.0-162.0-115.6 128.3 -12.5 19.1 32.6 29 29 A D S S+ 0 0 54 -2,-0.5 59,-1.6 57,-0.2 2,-0.2 0.876 76.8 41.6 -71.5 -35.0 -14.1 18.7 36.0 30 30 A D S S- 0 0 43 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.557 81.3-110.9-111.0 172.2 -10.8 19.3 37.7 31 31 A T - 0 0 0 43,-0.4 45,-2.5 -2,-0.2 2,-0.5 -0.886 36.0-174.3-107.6 121.1 -7.7 21.4 37.7 32 32 A V E -gH 76 84B 5 52,-1.7 52,-2.6 -2,-0.5 2,-0.4 -0.969 3.4-166.6-126.7 120.8 -4.6 19.5 36.7 33 33 A L E -g 77 0B 0 43,-3.6 45,-2.8 -2,-0.5 47,-0.3 -0.851 26.6-110.3-113.6 147.0 -1.1 20.8 36.6 34 34 A E - 0 0 72 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.199 68.2 -62.4 -57.5 152.5 2.1 19.5 35.2 35 35 A E S S+ 0 0 115 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.129 76.6 154.7 -46.1 135.0 4.5 18.4 37.8 36 36 A M - 0 0 16 -3,-0.2 2,-1.1 2,-0.0 -3,-0.0 -0.974 50.3 -80.1-158.9 172.6 5.6 21.2 40.2 37 37 A S + 0 0 86 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.674 58.4 156.9 -84.4 93.5 6.9 22.4 43.5 38 38 A L - 0 0 26 -2,-1.1 2,-0.4 2,-0.1 -2,-0.0 -0.857 26.6-138.9-120.2 154.9 4.0 22.4 45.8 39 39 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 -0.888 52.0 32.5-124.4 152.8 3.8 22.3 49.6 40 40 A G S S- 0 0 62 -2,-0.4 2,-0.1 2,-0.0 -2,-0.1 -0.681 92.6 -29.4 110.5-162.5 1.7 20.6 52.2 41 41 A R - 0 0 230 -2,-0.3 19,-0.3 19,-0.1 2,-0.3 -0.468 53.2-167.7 -91.1 168.9 0.1 17.4 52.2 42 42 A W - 0 0 119 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -1.000 15.5-143.1-149.9 149.8 -1.4 15.4 49.3 43 43 A K E -I 58 0B 140 15,-3.6 15,-4.5 -2,-0.3 2,-0.2 -0.874 29.7-117.8-111.0 143.4 -3.6 12.4 48.6 44 44 A P E +I 57 0B 78 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.560 43.5 167.0 -75.2 144.9 -2.9 10.0 45.6 45 45 A K E -I 56 0B 77 11,-2.7 11,-3.8 -2,-0.2 2,-0.4 -0.941 29.0-138.0-151.1 167.7 -5.6 9.9 43.0 46 46 A M E -I 55 0B 118 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -1.000 19.4-177.7-132.3 133.6 -6.4 8.7 39.4 47 47 A I E -I 54 0B 19 7,-1.6 7,-1.6 -2,-0.4 2,-0.4 -0.866 16.5-132.9-126.1 162.4 -8.4 10.6 36.7 48 48 A G E +I 53 0B 50 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.885 29.5 150.5-123.3 152.2 -9.4 9.7 33.4 49 49 A G - 0 0 22 3,-2.2 3,-0.5 -2,-0.4 100,-0.1 -0.649 57.5 -47.5-144.5-157.1 -9.2 11.4 30.1 50 50 A I S S+ 0 0 28 1,-0.2 103,-0.1 -2,-0.2 3,-0.1 0.900 128.6 29.7 -62.4 -45.0 -8.9 10.8 26.5 51 51 A G S S- 0 0 27 101,-0.3 2,-0.3 1,-0.3 102,-0.3 0.590 123.5 -83.3 -98.1 7.3 -6.2 8.3 26.1 52 52 A G - 0 0 23 -3,-0.5 -3,-2.2 100,-0.2 2,-0.4 -0.965 66.8 -23.3 141.8-152.6 -6.7 6.7 29.5 53 53 A F E -I 48 0B 163 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.764 40.5-169.9-108.0 143.7 -5.8 7.1 33.1 54 54 A I E -I 47 0B 23 -7,-1.6 -7,-1.6 -2,-0.4 2,-0.5 -0.901 25.0-120.9-125.0 155.8 -3.0 9.0 34.8 55 55 A K E +I 46 0B 139 -2,-0.3 -9,-0.3 -9,-0.2 2,-0.2 -0.833 38.5 176.4 -99.3 132.4 -2.0 8.9 38.4 56 56 A V E -I 45 0B 4 -11,-3.8 -11,-2.7 -2,-0.5 2,-0.5 -0.729 30.9-120.5-126.3 177.0 -2.0 12.2 40.2 57 57 A R E -IJ 44 77B 64 20,-2.2 20,-2.3 -13,-0.2 2,-0.6 -0.983 27.2-141.7-119.0 125.3 -1.5 13.8 43.6 58 58 A Q E -IJ 43 76B 38 -15,-4.5 -15,-3.6 -2,-0.5 2,-0.4 -0.850 18.1-175.3 -98.7 125.2 -4.4 15.6 45.1 59 59 A Y E - J 0 75B 6 16,-2.7 16,-2.4 -2,-0.6 3,-0.3 -0.971 11.5-153.4-117.5 124.1 -3.7 18.9 47.0 60 60 A D E + 0 0 71 -2,-0.4 14,-0.2 -19,-0.3 -19,-0.1 -0.633 66.2 19.8-102.6 156.5 -6.6 20.7 48.7 61 61 A Q E S+ 0 0 143 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.855 76.1 163.3 55.8 45.5 -7.0 24.3 49.6 62 62 A I E - J 0 73B 19 11,-2.6 11,-1.4 -3,-0.3 2,-0.5 -0.735 34.5-131.4 -92.7 129.7 -4.4 25.7 47.2 63 63 A L E + J 0 72B 97 -2,-0.4 -47,-0.7 9,-0.2 2,-0.4 -0.687 29.1 179.0 -85.0 134.1 -4.5 29.3 46.4 64 64 A I E -EJ 15 71B 0 7,-3.0 7,-2.3 -2,-0.5 2,-0.6 -0.982 20.8-149.2-137.5 138.9 -4.4 30.2 42.7 65 65 A E E -EJ 14 70B 59 -51,-2.6 -51,-1.7 -2,-0.4 2,-0.5 -0.946 16.4-171.1-107.8 119.7 -4.5 33.4 41.0 66 66 A I E > S-EJ 13 69B 0 3,-3.4 3,-2.1 -2,-0.6 -53,-0.2 -0.964 73.6 -23.9-120.6 118.8 -6.0 33.3 37.6 67 67 A C T 3 S- 0 0 56 -55,-2.3 -1,-0.2 -2,-0.5 -54,-0.1 0.928 130.7 -47.8 49.9 47.6 -5.8 36.3 35.4 68 68 A G T 3 S+ 0 0 61 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.601 116.8 118.8 71.2 6.7 -5.4 38.4 38.7 69 69 A H E < - J 0 66B 57 -3,-2.1 -3,-3.4 2,-0.0 2,-0.3 -0.928 58.7-136.1-112.5 130.0 -8.3 36.6 40.3 70 70 A K E + J 0 65B 156 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.510 27.6 167.4 -84.1 142.4 -7.9 34.6 43.5 71 71 A A E - J 0 64B 2 -7,-2.3 -7,-3.0 -2,-0.3 2,-0.4 -0.982 21.8-148.7-147.2 152.2 -9.5 31.3 43.9 72 72 A I E + J 0 63B 88 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.991 42.2 108.9-123.8 131.9 -8.9 28.5 46.5 73 73 A G E - 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