==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 08-APR-98 1A9M . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR L.HONG,X.-J.ZHANG,S.FOUNDLING,J.A.HARTSUCK,J.TANG . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.4 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 . 29 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.5 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 1 0 0 1 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 2 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 0 PARALLEL BRIDGES PER LADDER . 2 0 5 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 84 0, 0.0 198,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 169.0 50.3 6.6 82.4 2 2 A Q E -A 198 0A 138 196,-0.2 2,-0.4 197,-0.1 196,-0.2 -0.992 360.0-166.5-126.1 130.5 49.8 4.7 79.1 3 3 A I E -A 197 0A 34 194,-2.6 194,-2.6 -2,-0.4 2,-0.3 -0.970 6.3-153.5-123.9 139.3 46.8 5.7 77.1 4 4 A T E -A 196 0A 59 -2,-0.4 3,-0.4 192,-0.2 192,-0.1 -0.689 16.7-131.3-103.9 165.5 45.4 3.9 74.1 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 -2,-0.3 185,-0.1 0.045 73.6 109.3-112.7 31.4 43.5 5.6 71.3 6 6 A W S S+ 0 0 163 1,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.866 95.7 24.5 -70.1 -26.5 40.3 3.4 71.0 7 7 A Q S S- 0 0 133 -3,-0.4 -1,-0.1 1,-0.1 -3,-0.0 -0.891 107.8 -74.3-134.9 158.1 38.7 6.5 72.5 8 8 A R - 0 0 128 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.220 46.2-121.2 -49.8 128.1 39.5 10.3 72.7 9 9 A P + 0 0 5 0, 0.0 15,-2.2 0, 0.0 2,-0.2 -0.394 45.9 170.7 -75.5 64.5 42.3 10.9 75.2 10 10 A L E -D 23 0B 68 -2,-2.3 2,-0.3 13,-0.2 13,-0.3 -0.555 7.5-179.2 -73.7 142.2 40.2 13.2 77.4 11 11 A V E -D 22 0B 13 11,-3.1 11,-2.9 -2,-0.2 2,-0.6 -0.864 28.8-106.9-139.8 163.5 42.0 14.1 80.6 12 12 A T E +D 21 0B 75 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.884 35.7 179.6-101.4 124.2 41.2 16.1 83.7 13 13 A I E -DE 20 66B 1 7,-2.7 7,-2.6 -2,-0.6 2,-0.6 -0.872 20.4-145.7-120.2 150.1 43.0 19.4 84.2 14 14 A K E -DE 19 65B 54 51,-1.8 51,-1.9 -2,-0.3 2,-0.6 -0.975 19.1-177.4-118.6 115.2 42.8 21.9 87.0 15 15 A I E > -DE 18 64B 2 3,-3.1 3,-1.9 -2,-0.6 49,-0.2 -0.960 69.4 -25.1-120.1 113.3 43.2 25.5 85.8 16 16 A G T 3 S- 0 0 68 47,-0.8 -1,-0.2 -2,-0.6 3,-0.1 0.894 127.3 -45.6 53.4 50.7 43.1 28.2 88.4 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.064 118.7 106.7 84.9 -26.6 41.0 26.2 90.9 18 18 A Q E < -D 15 0B 101 -3,-1.9 -3,-3.1 1,-0.0 2,-0.5 -0.677 63.1-134.8 -94.7 144.0 38.5 25.0 88.3 19 19 A L E +D 14 0B 118 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.821 31.5 163.3 -97.2 126.2 38.3 21.4 86.9 20 20 A K E -D 13 0B 25 -7,-2.6 -7,-2.7 -2,-0.5 2,-0.5 -0.877 35.4-115.6-136.5 165.2 37.9 20.9 83.1 21 21 A E E -D 12 0B 128 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.898 34.6-179.3-104.7 134.1 38.3 18.1 80.6 22 22 A A E -Df 11 83B 0 -11,-2.9 -11,-3.1 -2,-0.5 2,-0.4 -0.975 24.4-125.7-135.5 151.8 41.0 18.4 78.0 23 23 A L E -Df 10 84B 7 60,-2.6 62,-2.5 -2,-0.3 2,-0.6 -0.766 21.8-127.6 -98.4 131.3 42.1 16.3 75.1 24 24 A L E - f 0 85B 0 -15,-2.2 2,-0.5 -2,-0.4 62,-0.1 -0.730 36.8-173.0 -76.6 117.9 45.8 15.3 74.8 25 25 A D > - 0 0 14 60,-2.4 3,-1.1 -2,-0.6 62,-0.3 -0.911 26.3-177.4-125.3 106.6 46.5 16.4 71.3 26 26 A T T 3 S+ 0 0 0 -2,-0.5 98,-0.1 1,-0.2 99,-0.1 0.686 86.2 62.3 -72.7 -16.5 49.8 15.7 69.5 27 27 A G T 3 S+ 0 0 14 96,-0.1 2,-0.5 81,-0.1 -1,-0.2 0.567 88.0 86.6 -84.8 -8.9 48.7 17.6 66.4 28 28 A A < - 0 0 16 -3,-1.1 59,-3.2 57,-0.2 60,-0.2 -0.822 57.2-166.3 -97.3 121.4 48.5 20.8 68.4 29 29 A D S S+ 0 0 59 -2,-0.5 59,-1.6 57,-0.2 2,-0.2 0.925 78.8 30.9 -62.7 -45.7 51.6 22.9 68.7 30 30 A D S S- 0 0 40 57,-0.2 2,-0.5 56,-0.2 57,-0.2 -0.551 86.6-103.7-108.8 174.5 49.9 24.9 71.5 31 31 A T - 0 0 0 43,-0.4 45,-2.6 54,-0.2 2,-0.5 -0.878 35.2-171.8-102.7 119.6 47.3 24.6 74.2 32 32 A V E -gH 76 84B 6 52,-1.1 52,-3.2 -2,-0.5 2,-0.3 -0.960 1.5-169.8-118.3 129.5 43.9 26.1 73.4 33 33 A L E -g 77 0B 0 43,-3.4 45,-2.4 -2,-0.5 47,-0.2 -0.817 28.2-101.3-118.0 154.3 41.1 26.4 75.9 34 34 A E - 0 0 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.282 68.3 -56.7 -62.3 161.3 37.5 27.3 75.7 35 35 A E S S+ 0 0 110 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.029 81.0 123.5 -47.0 130.7 36.4 30.9 76.6 36 36 A M - 0 0 28 -3,-0.1 2,-0.5 2,-0.0 -3,-0.1 -0.962 55.6 -96.8-176.3 172.9 37.3 31.9 80.1 37 37 A S - 0 0 109 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.921 31.8-168.7-113.1 128.7 39.1 34.5 82.2 38 38 A L - 0 0 21 -2,-0.5 2,-1.2 2,-0.2 4,-0.0 -0.671 40.0 -91.7-109.8 167.7 42.6 34.0 83.5 39 39 A P S S+ 0 0 123 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.058 91.8 34.1 -70.5 35.3 44.7 36.0 86.1 40 40 A G S S- 0 0 46 -2,-1.2 2,-0.2 22,-0.0 -2,-0.2 -0.919 86.7 -54.5-166.1-171.5 46.4 38.4 83.6 41 41 A R - 0 0 228 -2,-0.3 19,-0.4 19,-0.1 2,-0.3 -0.598 48.5-153.6 -78.7 142.1 47.0 40.6 80.7 42 42 A W - 0 0 132 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.809 7.6-154.9-119.5 159.0 46.5 38.9 77.2 43 43 A K E -I 58 0B 87 15,-1.8 15,-2.8 -2,-0.3 2,-0.2 -0.871 30.5 -99.1-125.2 159.8 47.9 39.5 73.7 44 44 A P E +I 57 0B 111 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.569 41.4 172.3 -84.5 148.0 46.4 38.7 70.3 45 45 A K E -I 56 0B 66 11,-1.7 11,-2.6 -2,-0.2 2,-0.5 -0.982 23.7-141.8-148.8 154.8 47.2 35.6 68.3 46 46 A M E -I 55 0B 109 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 20.5-171.4-121.2 127.2 46.0 33.8 65.2 47 47 A I E -I 54 0B 20 7,-2.9 7,-2.4 -2,-0.5 2,-0.5 -0.883 15.3-136.1-119.0 156.7 45.9 30.0 65.1 48 48 A H E +I 53 0B 104 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.941 26.6 168.3-116.1 125.8 45.3 27.7 62.2 49 49 A G - 0 0 15 3,-3.4 3,-0.4 -2,-0.5 100,-0.0 -0.532 52.4 -85.0-116.7-168.5 43.1 24.7 62.5 50 50 A I S S+ 0 0 31 1,-0.2 3,-0.1 -2,-0.2 103,-0.1 0.914 126.6 44.5 -69.5 -42.0 41.5 22.3 60.0 51 51 A G S S- 0 0 25 101,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.480 125.6 -83.3 -82.6 -3.2 38.5 24.5 59.3 52 52 A G - 0 0 20 -3,-0.4 -3,-3.4 100,-0.1 2,-0.3 -0.957 65.4 -29.0 140.2-157.2 40.5 27.7 59.1 53 53 A F E -I 48 0B 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.714 43.6-171.7-102.2 149.6 42.0 30.5 61.3 54 54 A I E -I 47 0B 21 -7,-2.4 -7,-2.9 -2,-0.3 2,-0.5 -0.980 22.6-128.5-138.4 147.1 40.8 31.8 64.7 55 55 A K E -I 46 0B 165 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.834 35.5-179.8 -92.1 133.7 41.9 34.7 66.8 56 56 A V E -I 45 0B 6 -11,-2.6 -11,-1.7 -2,-0.5 2,-0.6 -0.811 29.7-111.4-127.6 172.2 42.7 33.6 70.3 57 57 A R E -IJ 44 77B 41 20,-2.6 20,-1.9 -2,-0.3 2,-0.4 -0.933 28.4-146.3-111.0 113.0 43.9 35.4 73.5 58 58 A Q E +IJ 43 76B 37 -15,-2.8 -15,-1.8 -2,-0.6 2,-0.4 -0.666 18.9 177.3 -84.8 128.4 47.4 34.5 74.6 59 59 A Y E - J 0 75B 10 16,-2.2 16,-2.3 -2,-0.4 2,-0.2 -0.944 15.0-151.0-122.7 143.1 48.2 34.4 78.4 60 60 A D E + 0 0 62 -19,-0.4 14,-0.2 -2,-0.4 13,-0.1 -0.725 66.0 23.0-116.9 166.4 51.7 33.5 79.6 61 61 A Q E S+ 0 0 168 -2,-0.2 2,-0.4 1,-0.2 13,-0.2 0.785 76.3 163.9 53.3 36.6 53.1 31.8 82.8 62 62 A I E - J 0 73B 13 11,-2.2 11,-2.4 -3,-0.2 2,-0.6 -0.678 32.9-137.0 -86.7 130.3 49.7 30.1 83.5 63 63 A L E + J 0 72B 79 -2,-0.4 -47,-0.8 9,-0.3 2,-0.3 -0.830 32.1 165.7 -93.0 126.3 49.9 27.3 86.1 64 64 A I E -EJ 15 71B 0 7,-2.3 7,-4.0 -2,-0.6 2,-0.4 -0.938 26.5-142.0-136.8 146.6 47.8 24.2 85.1 65 65 A E E -EJ 14 70B 58 -51,-1.9 -51,-1.8 -2,-0.3 2,-0.5 -0.939 11.6-167.0-112.7 140.9 47.8 20.7 86.4 66 66 A I E > S-EJ 13 69B 0 3,-3.8 3,-3.1 -2,-0.4 -53,-0.2 -0.988 72.8 -31.3-130.6 117.2 47.3 17.8 84.1 67 67 A C T 3 S- 0 0 65 -55,-2.1 -1,-0.1 -2,-0.5 -54,-0.1 0.875 129.2 -41.6 37.4 56.7 46.5 14.4 85.7 68 68 A G T 3 S+ 0 0 61 -56,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.397 118.0 111.1 77.5 -3.5 48.6 15.3 88.8 69 69 A H E < - J 0 66B 63 -3,-3.1 -3,-3.8 2,-0.0 2,-0.3 -0.924 59.4-147.2-103.8 118.3 51.4 17.0 86.8 70 70 A K E - J 0 65B 147 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.3 -0.712 19.8-177.3 -85.5 143.0 51.5 20.7 87.3 71 71 A A E - J 0 64B 0 -7,-4.0 -7,-2.3 -2,-0.3 2,-0.4 -0.864 15.3-154.3-132.8 159.9 52.7 22.7 84.3 72 72 A I E + J 0 63B 89 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.993 42.6 96.0-136.6 131.3 53.3 26.4 83.8 73 73 A G E - 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