==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-DEC-99 1C6Y . COMPND 2 MOLECULE: PROTEIN (PROTEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.MUNSHI . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.6 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 . 41 20.7 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 1 3 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 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 97 0, 0.0 198,-1.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-172.9 30.5 41.0 2.2 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.916 360.0-166.5-128.0 99.2 30.3 38.2 -0.3 3 3 A I E -A 197 0A 38 194,-2.8 194,-2.3 -2,-0.5 2,-0.1 -0.781 8.2-145.3 -93.7 126.0 29.6 35.0 1.6 4 4 A T E -A 196 0A 76 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.411 11.8-130.7 -84.3 166.7 30.0 31.7 -0.3 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.131 76.5 104.3-106.1 20.5 27.9 28.6 0.2 6 6 A W S S+ 0 0 160 184,-0.1 2,-0.2 185,-0.1 -1,-0.2 0.732 94.7 24.2 -72.5 -21.4 30.5 25.8 0.6 7 7 A Q S S- 0 0 147 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.759 112.3 -72.3-128.9 175.2 29.6 25.9 4.4 8 8 A R - 0 0 122 -2,-0.2 2,-1.3 1,-0.1 119,-0.1 -0.620 52.0-119.0 -73.9 122.9 26.4 26.9 6.1 9 9 A P + 0 0 5 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.494 45.8 173.1 -67.6 93.6 26.2 30.8 5.9 10 10 A V E +D 23 0B 60 -2,-1.3 2,-0.3 13,-0.2 13,-0.2 -0.859 7.2 175.7-107.4 137.2 26.2 31.7 9.7 11 11 A V E -D 22 0B 14 11,-2.5 11,-2.1 -2,-0.4 2,-0.5 -0.823 31.8-105.0-129.0 170.2 26.5 35.2 11.0 12 12 A T E +D 21 0B 72 -2,-0.3 55,-1.4 9,-0.2 2,-0.3 -0.886 35.8 179.6-107.4 130.1 26.4 36.7 14.5 13 13 A I E -DE 20 66B 2 7,-2.5 7,-2.3 -2,-0.5 2,-0.5 -0.778 21.5-131.0-118.4 168.2 23.3 38.6 15.7 14 14 A K E -DE 19 65B 41 51,-0.6 51,-1.8 -2,-0.3 2,-0.5 -0.963 19.3-179.0-129.4 117.2 22.5 40.3 19.0 15 15 A I E > S-DE 18 64B 6 3,-2.0 3,-1.4 -2,-0.5 49,-0.1 -0.962 73.5 -28.1-115.1 113.7 19.2 39.6 20.8 16 16 A G T 3 S- 0 0 53 47,-0.7 -1,-0.1 -2,-0.5 3,-0.1 0.832 125.5 -43.4 48.8 47.8 18.8 41.6 24.1 17 17 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.519 116.1 107.7 81.2 4.6 22.4 42.0 25.0 18 18 A Q E < -D 15 0B 123 -3,-1.4 -3,-2.0 2,-0.0 2,-0.5 -0.957 60.7-141.0-119.2 134.3 23.4 38.4 24.1 19 19 A L E +D 14 0B 135 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.843 30.9 164.0 -95.1 130.1 25.5 37.5 21.1 20 20 A M E -D 13 0B 45 -7,-2.3 -7,-2.5 -2,-0.5 2,-0.2 -0.952 36.3-105.8-144.5 159.2 24.6 34.3 19.2 21 21 A E E +D 12 0B 135 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.591 37.4 177.4 -84.3 148.0 25.1 32.5 15.9 22 22 A A E -D 11 0B 1 -11,-2.1 -11,-2.5 -2,-0.2 2,-0.4 -0.996 26.0-117.5-152.4 150.8 22.3 32.3 13.2 23 23 A L E -Df 10 84B 8 60,-1.9 62,-2.6 -2,-0.3 2,-1.0 -0.752 20.1-129.1 -96.0 130.3 21.8 30.9 9.7 24 24 A I E - f 0 85B 2 -15,-2.9 2,-0.7 -2,-0.4 62,-0.1 -0.631 35.5-177.4 -76.9 107.2 21.0 33.1 6.7 25 25 A D > + 0 0 15 60,-2.4 3,-0.7 -2,-1.0 62,-0.4 -0.866 23.3 177.2-117.5 105.9 18.0 31.3 5.3 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.2 98,-0.1 0.565 84.3 57.7 -77.6 -15.3 16.5 32.5 2.1 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.595 90.7 84.7 -88.0 -14.7 14.0 29.7 2.1 28 28 A A < - 0 0 16 -3,-0.7 59,-2.6 57,-0.2 60,-0.1 -0.780 61.9-162.7 -90.4 131.0 12.6 30.7 5.5 29 29 A D S S+ 0 0 61 -2,-0.5 59,-0.9 57,-0.2 2,-0.2 0.844 74.4 31.0 -79.8 -33.7 10.0 33.4 5.4 30 30 A D S S- 0 0 41 57,-0.2 2,-0.6 58,-0.1 57,-0.2 -0.692 87.6-100.3-121.4 173.9 10.3 34.2 9.0 31 31 A T E -g 75 0B 1 43,-0.7 45,-2.7 -2,-0.2 2,-0.6 -0.853 31.2-169.7-101.4 116.5 13.0 34.2 11.7 32 32 A V E -gH 76 84B 11 52,-1.3 52,-2.5 -2,-0.6 2,-0.2 -0.912 9.6-173.2-109.9 115.7 12.9 31.3 14.1 33 33 A L E -g 77 0B 1 43,-2.9 45,-1.7 -2,-0.6 47,-0.2 -0.625 23.3 -99.3-106.8 165.5 15.1 31.5 17.2 34 34 A E - 0 0 76 -2,-0.2 2,-0.5 43,-0.2 -1,-0.2 0.017 60.7 -55.0 -69.5-175.7 16.1 29.1 19.9 35 35 A E S S+ 0 0 109 45,-0.2 2,-0.3 42,-0.1 -1,-0.2 -0.476 76.0 130.2 -71.4 111.6 14.7 28.8 23.5 36 36 A M - 0 0 36 -2,-0.5 2,-1.0 -3,-0.1 -3,-0.1 -0.977 57.9-119.1-157.2 150.5 14.9 32.1 25.4 37 37 A D - 0 0 151 -2,-0.3 -2,-0.1 2,-0.0 3,-0.0 -0.806 36.9-164.5-100.3 91.7 12.6 34.2 27.4 38 38 A L - 0 0 14 -2,-1.0 2,-0.2 1,-0.1 4,-0.0 -0.541 29.5 -97.8 -75.4 140.5 12.4 37.5 25.5 39 39 A P S S+ 0 0 108 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.391 85.6 44.6 -61.3 125.6 11.0 40.6 27.2 40 40 A G S S- 0 0 56 -2,-0.2 2,-0.4 19,-0.1 -2,-0.0 -0.589 91.8 -55.5 128.5 169.9 7.4 41.1 26.2 41 41 A R - 0 0 237 -2,-0.2 19,-0.4 19,-0.1 2,-0.2 -0.709 50.8-155.4 -87.5 131.1 4.0 39.4 25.6 42 42 A W - 0 0 124 -2,-0.4 17,-0.2 17,-0.1 15,-0.1 -0.674 10.1-161.1-107.8 160.7 3.8 36.4 23.2 43 43 A K E -I 58 0B 100 15,-1.4 15,-3.1 -2,-0.2 2,-0.0 -0.997 28.6-108.0-138.8 134.4 1.1 34.7 21.1 44 44 A P E +I 57 0B 85 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.282 34.2 171.7 -66.0 148.4 1.2 31.2 19.7 45 45 A K E -I 56 0B 98 11,-1.9 11,-2.2 2,-0.0 2,-0.5 -0.952 24.2-141.1-149.9 147.7 1.7 30.3 16.0 46 46 A I E -I 55 0B 110 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.918 23.6-171.3-120.8 105.7 2.2 26.8 14.5 47 47 A I E -I 54 0B 33 7,-1.5 7,-3.3 -2,-0.5 2,-0.5 -0.615 13.1-135.5 -96.1 155.4 4.7 26.8 11.7 48 48 A G E +I 53 0B 48 5,-0.3 5,-0.3 -2,-0.2 103,-0.1 -0.912 26.9 163.7-121.8 121.4 5.5 24.0 9.3 49 49 A G E > -I 52 0B 38 3,-2.7 3,-0.9 -2,-0.5 102,-0.1 -0.112 55.2 -66.6-108.5-156.4 8.9 22.8 8.1 50 50 A I T 3 S+ 0 0 49 1,-0.2 101,-0.1 -2,-0.1 3,-0.1 0.852 128.8 34.7 -66.3 -38.6 10.5 19.8 6.5 51 51 A G T 3 S- 0 0 18 99,-1.0 -1,-0.2 1,-0.3 2,-0.2 -0.089 126.3 -62.2-111.7 34.2 9.9 17.3 9.3 52 52 A G E < -I 49 0B 30 -3,-0.9 -3,-2.7 99,-0.1 2,-0.4 -0.637 66.4 -50.1 123.8-178.5 6.6 18.5 10.6 53 53 A F E -I 48 0B 162 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 -0.820 47.2-158.1-101.2 136.6 4.8 21.4 12.2 54 54 A V E -I 47 0B 19 -7,-3.3 -7,-1.5 -2,-0.4 2,-0.8 -0.868 17.3-126.9-117.9 149.3 6.2 23.2 15.3 55 55 A K E +I 46 0B 152 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.851 38.1 177.8 -97.7 108.1 4.5 25.3 18.0 56 56 A V E -I 45 0B 2 -11,-2.2 -11,-1.9 -2,-0.8 2,-0.6 -0.775 31.0-123.7-111.9 155.9 6.4 28.7 18.4 57 57 A R E -IJ 44 77B 118 20,-2.7 20,-2.7 -2,-0.3 2,-0.5 -0.853 27.7-141.4 -97.9 119.2 5.9 31.8 20.5 58 58 A Q E -IJ 43 76B 29 -15,-3.1 -15,-1.4 -2,-0.6 2,-0.4 -0.735 17.5-172.1 -87.2 127.1 5.5 35.0 18.3 59 59 A Y E - J 0 75B 9 16,-1.6 16,-1.7 -2,-0.5 3,-0.2 -0.955 10.5-149.5-115.7 135.8 7.2 38.1 19.6 60 60 A D E + 0 0 75 -2,-0.4 14,-0.1 -19,-0.4 -19,-0.1 -0.700 64.2 9.4-106.9 163.2 6.7 41.5 17.9 61 61 A Q E S+ 0 0 155 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.837 77.9 165.7 35.0 56.8 8.8 44.7 17.4 62 62 A I E - J 0 73B 12 11,-1.8 11,-1.4 -3,-0.2 2,-0.5 -0.817 36.2-124.8 -98.6 132.8 12.0 43.2 18.8 63 63 A P E - J 0 72B 58 0, 0.0 -47,-0.7 0, 0.0 2,-0.4 -0.719 31.2-178.4 -84.2 122.2 15.4 44.9 18.2 64 64 A I E -EJ 15 71B 1 7,-1.8 7,-2.6 -2,-0.5 2,-0.8 -0.956 19.3-151.5-122.2 132.8 18.1 42.8 16.5 65 65 A E E -EJ 14 70B 63 -51,-1.8 2,-1.0 -2,-0.4 -51,-0.6 -0.828 12.9-172.0-106.2 96.4 21.6 43.8 15.6 66 66 A I E > S-EJ 13 69B 4 3,-1.9 3,-1.2 -2,-0.8 -53,-0.2 -0.782 77.4 -29.8 -89.0 101.2 22.8 41.8 12.6 67 67 A C T 3 S- 0 0 71 -55,-1.4 -1,-0.2 -2,-1.0 -54,-0.1 0.944 125.9 -45.4 57.2 52.2 26.5 42.6 12.2 68 68 A G T 3 S+ 0 0 68 -3,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.323 113.2 117.4 77.1 -8.5 26.2 46.1 13.8 69 69 A H E < - J 0 66B 91 -3,-1.2 -3,-1.9 24,-0.0 2,-0.5 -0.821 59.1-147.5 -93.9 104.9 23.2 47.0 11.7 70 70 A K E + J 0 65B 106 -2,-0.8 2,-0.2 -5,-0.2 -5,-0.2 -0.670 31.9 160.9 -77.4 121.7 20.3 47.6 14.2 71 71 A V E - J 0 64B 10 -7,-2.6 -7,-1.8 -2,-0.5 2,-0.3 -0.749 27.3-133.9-129.4 179.7 17.1 46.5 12.6 72 72 A I E + J 0 63B 87 -2,-0.2 2,-0.3 -9,-0.2 20,-0.1 -0.998 36.2 112.0-143.7 146.0 13.5 45.5 13.8 73 73 A G E - J 0 62B 18 -11,-1.4 -11,-1.8 -2,-0.3 2,-0.4 -0.992 58.4 -50.7 177.2-173.8 11.0 42.7 13.1 74 74 A T E - 0 0 34 -2,-0.3 -43,-0.7 -13,-0.2 2,-0.5 -0.733 41.6-167.8 -88.7 130.3 9.0 39.6 14.3 75 75 A V E -gJ 31 59B 0 -16,-1.7 -16,-1.6 -2,-0.4 2,-0.4 -0.969 8.9-152.3-122.2 121.9 10.9 36.7 15.9 76 76 A L E -gJ 32 58B 3 -45,-2.7 -43,-2.9 -2,-0.5 2,-0.6 -0.774 11.8-156.4 -89.7 130.0 9.3 33.2 16.5 77 77 A V E +gJ 33 57B 5 -20,-2.7 -20,-2.7 -2,-0.4 -43,-0.2 -0.932 33.9 123.4-114.2 115.2 10.7 31.3 19.4 78 78 A G - 0 0 4 -45,-1.7 2,-1.8 -2,-0.6 -22,-0.2 -0.914 69.2 -54.1-154.9 179.4 10.4 27.6 19.5 79 79 A P S S+ 0 0 92 0, 0.0 72,-0.3 0, 0.0 -45,-0.1 -0.399 71.7 149.0 -66.3 83.0 12.2 24.1 19.7 80 80 A T - 0 0 4 -2,-1.8 -45,-0.2 -47,-0.2 70,-0.1 -0.943 48.2-140.2-120.9 137.5 14.6 24.6 16.8 81 81 A P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.733 89.1 24.1 -64.5 -30.0 18.2 23.0 16.5 82 82 A T S S- 0 0 49 -50,-0.1 2,-0.2 -49,-0.0 -60,-0.1 -0.980 86.5-109.1-138.7 148.5 19.7 26.1 15.0 83 83 A N - 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