==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 07-MAY-97 1VIJ . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR G.LANGE-SAVAGE,H.BERCHTOLD,A.LIESUM,R.HILGENFELD . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 68.2 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 . 69 34.8 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 . 28 14.1 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 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 . 3 1 5 0 0 3 1 1 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 . 1 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 81 0, 0.0 198,-1.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 130.6 -12.7 39.5 29.8 2 2 A Q E -A 198 0A 151 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.887 360.0-162.6 -95.7 117.8 -14.6 38.2 26.8 3 3 A I E -A 197 0A 35 194,-2.1 194,-2.2 -2,-0.6 2,-0.3 -0.950 4.7-159.9-112.1 124.6 -12.7 35.2 25.4 4 4 A T E > -A 196 0A 75 -2,-0.5 3,-0.5 192,-0.2 192,-0.2 -0.727 20.5-127.9 -96.8 153.3 -13.2 33.8 21.9 5 5 A L T 3 S+ 0 0 1 190,-0.6 186,-0.2 -2,-0.3 185,-0.1 0.129 76.5 106.9 -93.5 20.9 -12.1 30.4 20.7 6 6 A W T 3 S+ 0 0 173 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.794 93.0 29.1 -63.6 -34.1 -10.1 31.2 17.6 7 7 A Q S < S- 0 0 162 -3,-0.5 0, 0.0 3,-0.0 0, 0.0 -0.891 110.1 -81.1-125.3 154.1 -7.0 30.3 19.7 8 8 A R - 0 0 145 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.338 52.1-113.3 -51.6 126.7 -6.7 27.9 22.7 9 9 A P + 0 0 3 0, 0.0 15,-2.3 0, 0.0 2,-0.2 -0.459 51.4 168.3 -77.4 75.3 -7.9 29.8 25.7 10 10 A L E +D 23 0B 89 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.538 5.9 175.1 -79.6 143.2 -4.6 30.1 27.5 11 11 A V E -D 22 0B 6 11,-2.4 11,-2.4 -2,-0.2 2,-0.3 -0.912 30.2-100.3-142.8 168.5 -4.6 32.5 30.4 12 12 A T E -D 21 0B 68 -2,-0.3 55,-2.4 9,-0.2 2,-0.4 -0.709 33.4-171.7-100.1 151.4 -1.9 33.4 33.1 13 13 A I E -DE 20 66B 0 7,-3.0 7,-2.8 -2,-0.3 2,-0.5 -0.991 19.0-147.0-139.2 145.2 -1.9 32.1 36.6 14 14 A K E +DE 19 65B 90 51,-1.6 51,-2.9 -2,-0.4 2,-0.3 -0.939 34.6 162.5-111.0 120.9 0.1 32.9 39.7 15 15 A I E > -DE 18 64B 2 3,-3.0 3,-3.5 -2,-0.5 49,-0.1 -0.988 56.2 -9.1-144.1 138.8 0.6 29.8 41.8 16 16 A G T 3 S- 0 0 36 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.807 129.0 -50.4 43.4 44.7 2.9 28.7 44.6 17 17 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.103 120.4 101.5 84.9 -15.4 5.0 31.7 44.2 18 18 A Q E < -D 15 0B 74 -3,-3.5 -3,-3.0 0, 0.0 2,-0.5 -0.718 68.7-123.7-113.2 155.9 5.4 31.2 40.4 19 19 A L E +D 14 0B 131 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.823 40.7 159.8 -89.2 120.8 4.0 32.5 37.1 20 20 A K E -D 13 0B 26 -7,-2.8 -7,-3.0 -2,-0.5 2,-0.4 -0.752 35.5-124.2-129.0 177.2 2.4 29.8 34.8 21 21 A E E -D 12 0B 109 -9,-0.3 62,-0.6 -2,-0.2 2,-0.3 -0.995 29.1-170.6-132.2 124.2 0.1 29.7 31.9 22 22 A A E -Df 11 83B 0 -11,-2.4 -11,-2.4 -2,-0.4 2,-0.5 -0.856 23.6-121.7-120.8 154.1 -3.0 27.5 32.0 23 23 A L E -Df 10 84B 14 60,-3.4 62,-2.7 -2,-0.3 2,-0.9 -0.826 25.7-133.1 -91.7 127.3 -5.7 26.3 29.6 24 24 A L E - f 0 85B 0 -15,-2.3 2,-0.7 -2,-0.5 62,-0.1 -0.756 30.4-169.7 -86.2 113.4 -9.3 27.2 30.7 25 25 A D > - 0 0 15 60,-1.8 3,-1.0 -2,-0.9 65,-0.1 -0.833 29.3-179.1-114.2 109.8 -11.2 24.1 30.2 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.2 1,-0.2 61,-0.1 0.726 87.8 60.7 -77.7 -10.7 -15.0 23.8 30.4 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.4 59,-0.1 -1,-0.2 0.055 91.8 77.9-104.0 29.3 -14.7 20.0 29.8 28 28 A A < - 0 0 16 -3,-1.0 59,-1.7 57,-0.1 60,-0.1 -0.999 60.2-161.0-138.1 124.0 -12.6 19.3 32.9 29 29 A D S S+ 0 0 58 -2,-0.4 59,-1.5 57,-0.3 2,-0.3 0.757 77.9 35.2 -79.4 -32.8 -14.2 19.2 36.3 30 30 A D S S- 0 0 52 57,-0.2 2,-0.3 56,-0.1 45,-0.1 -0.852 83.7-108.5-124.4 160.5 -10.9 19.7 38.1 31 31 A T - 0 0 0 43,-0.6 45,-0.4 -2,-0.3 2,-0.4 -0.697 30.5-173.1 -84.5 135.2 -7.6 21.7 37.7 32 32 A V B -G 84 0B 7 52,-1.6 52,-2.6 -2,-0.3 2,-0.3 -0.915 9.8-162.5-138.2 103.5 -4.6 19.5 36.8 33 33 A L E -h 77 0B 0 43,-3.2 45,-2.2 -2,-0.4 47,-0.3 -0.655 26.8 -97.0 -96.0 151.6 -1.3 21.3 36.7 34 34 A E E -h 78 0B 80 -2,-0.3 2,-0.2 43,-0.2 -1,-0.1 -0.248 62.9 -77.2 -59.4 144.7 2.0 20.4 35.2 35 35 A E S S+ 0 0 113 43,-1.0 2,-0.3 45,-0.2 -1,-0.2 -0.275 74.0 149.1 -50.2 111.6 4.5 18.8 37.8 36 36 A M - 0 0 23 -2,-0.2 2,-1.0 -3,-0.1 -3,-0.0 -0.956 56.4 -73.7-146.8 167.0 5.9 21.7 39.9 37 37 A N + 0 0 141 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.456 56.7 170.3 -64.4 95.7 7.3 22.6 43.4 38 38 A L - 0 0 13 -2,-1.0 2,-0.5 2,-0.1 39,-0.0 -0.967 25.6-140.1-117.2 129.4 4.1 22.7 45.5 39 39 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -23,-0.1 -0.749 57.5 47.7 -85.7 122.5 4.4 23.0 49.3 40 40 A G S S- 0 0 59 -2,-0.5 2,-0.4 2,-0.0 -2,-0.1 -0.942 86.4 -49.9 147.5-174.6 2.1 20.9 51.4 41 41 A R - 0 0 199 -2,-0.3 19,-0.4 19,-0.1 2,-0.3 -0.793 52.4-171.4 -99.4 142.2 0.5 17.6 52.0 42 42 A W - 0 0 120 -2,-0.4 17,-0.2 17,-0.1 -2,-0.0 -0.943 20.5-151.4-133.9 160.3 -1.1 15.7 49.1 43 43 A K B -I 58 0B 53 15,-1.7 15,-3.9 -2,-0.3 2,-0.8 -0.993 24.8-130.8-128.0 132.2 -3.2 12.6 48.5 44 44 A P + 0 0 82 0, 0.0 13,-0.2 0, 0.0 2,-0.2 -0.820 31.8 169.9 -94.8 101.6 -2.9 10.9 45.1 45 45 A K - 0 0 88 -2,-0.8 11,-1.9 10,-0.0 2,-0.4 -0.449 32.9-117.8 -94.8 166.9 -6.2 10.2 43.4 46 46 A M E -K 55 0C 111 9,-0.2 2,-0.4 -2,-0.2 9,-0.2 -0.963 24.3-148.2-118.6 139.1 -6.3 9.0 39.8 47 47 A I E -K 54 0C 26 7,-2.2 7,-1.5 -2,-0.4 2,-0.4 -0.859 1.3-144.9-113.0 150.3 -7.8 10.9 36.8 48 48 A G E +K 53 0C 69 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.871 26.9 152.3-109.5 127.0 -9.5 9.9 33.6 49 49 A G - 0 0 32 3,-1.1 100,-0.1 101,-0.6 -21,-0.0 -0.759 62.5 -80.3-134.5-175.2 -9.3 11.6 30.2 50 50 A I S S+ 0 0 37 -2,-0.2 97,-0.1 1,-0.2 101,-0.1 0.866 126.1 58.1 -64.6 -32.3 -9.5 10.7 26.5 51 51 A G S S- 0 0 14 1,-0.1 100,-0.4 97,-0.1 -1,-0.2 0.987 115.0-100.7 -53.4 -80.1 -5.9 9.5 26.7 52 52 A G - 0 0 28 98,-4.7 -3,-1.1 -5,-0.1 2,-0.3 -0.394 61.9 -27.6-166.0-110.6 -6.2 6.9 29.5 53 53 A F E +K 48 0C 157 98,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.825 51.9 179.9-141.5 103.1 -5.4 6.9 33.3 54 54 A I E -K 47 0C 18 -7,-1.5 -7,-2.2 -2,-0.3 2,-0.4 -0.748 25.2-124.6-101.0 152.8 -2.7 9.2 34.8 55 55 A K E +K 46 0C 109 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.794 31.5 176.9 -98.9 134.1 -1.8 9.3 38.4 56 56 A V - 0 0 0 -11,-1.9 2,-0.5 -2,-0.4 22,-0.2 -0.825 30.2-131.0-132.3 170.5 -1.9 12.6 40.3 57 57 A R E - J 0 77B 55 20,-1.1 20,-1.1 -2,-0.3 2,-0.1 -0.980 31.4-143.9-118.6 102.9 -1.3 13.8 43.8 58 58 A Q E -IJ 43 76B 36 -15,-3.9 -15,-1.7 -2,-0.5 2,-0.4 -0.338 11.5-162.5 -71.9 157.3 -4.2 16.1 44.8 59 59 A Y E - J 0 75B 21 16,-2.8 16,-2.6 -17,-0.2 3,-0.3 -0.986 8.9-150.5-138.2 118.0 -3.7 19.2 47.0 60 60 A D E + 0 0 76 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.1 -0.757 68.9 17.0 -95.5 146.1 -6.6 20.8 48.8 61 61 A Q E S+ 0 0 147 -2,-0.3 2,-0.3 1,-0.2 13,-0.2 0.835 75.4 155.5 64.1 41.7 -7.0 24.5 49.7 62 62 A I E - J 0 73B 28 11,-2.5 11,-2.9 -3,-0.3 2,-0.3 -0.750 42.1-125.2 -90.1 140.9 -4.3 26.1 47.5 63 63 A L E - J 0 72B 86 -2,-0.3 -47,-0.5 9,-0.2 2,-0.4 -0.706 29.7-173.3 -89.0 140.4 -4.7 29.7 46.5 64 64 A I E -EJ 15 71B 0 7,-2.5 7,-1.0 -2,-0.3 2,-0.8 -0.994 16.7-149.4-137.3 127.3 -4.6 30.4 42.6 65 65 A E E -EJ 14 70B 54 -51,-2.9 -51,-1.6 -2,-0.4 2,-0.6 -0.769 19.0-171.9-100.0 114.0 -4.5 33.7 40.8 66 66 A I E > -EJ 13 69B 0 3,-5.2 3,-2.7 -2,-0.8 -53,-0.2 -0.874 65.6 -31.5-116.0 118.8 -6.3 33.5 37.4 67 67 A C T 3 S- 0 0 55 -55,-2.4 -1,-0.2 -2,-0.6 -54,-0.1 0.919 130.1 -43.7 37.6 52.4 -6.2 36.3 34.9 68 68 A G T 3 S+ 0 0 60 -56,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.048 118.4 122.5 84.5 -13.4 -6.0 38.7 37.9 69 69 A H E < - J 0 66B 70 -3,-2.7 -3,-5.2 1,-0.0 2,-0.3 -0.641 53.5-139.4 -86.1 125.4 -8.7 36.7 39.7 70 70 A K E + J 0 65B 116 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.584 29.8 154.3 -87.5 140.1 -8.3 35.1 43.1 71 71 A A E - J 0 64B 6 -7,-1.0 -7,-2.5 -2,-0.3 2,-0.5 -0.977 28.9-142.7-163.0 144.3 -9.7 31.7 44.1 72 72 A I E + J 0 63B 64 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.953 43.5 109.2-115.6 130.5 -8.9 29.0 46.6 73 73 A G E - 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