==== 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 11-MAY-97 1AJV . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR K.BACKBRO,T.UNGE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 66.2 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 . 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 . 27 13.6 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 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 80 0, 0.0 198,-1.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 173.5 29.4 38.6 5.0 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.952 360.0-160.7-106.5 116.0 29.5 36.3 1.9 3 3 A I E -A 197 0A 32 194,-3.8 194,-2.6 -2,-0.6 2,-0.2 -0.874 3.2-150.5-105.3 121.3 28.4 32.8 2.9 4 4 A T E -A 196 0A 62 -2,-0.5 3,-0.4 192,-0.2 192,-0.1 -0.535 12.2-137.0 -83.2 158.0 29.3 29.8 0.7 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.124 74.8 106.4-106.1 21.9 27.0 26.8 0.7 6 6 A W S S+ 0 0 173 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.838 94.2 25.0 -64.6 -32.8 29.7 24.1 0.8 7 7 A Q S S- 0 0 131 -3,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.802 110.6 -73.1-125.5 166.6 28.6 23.6 4.4 8 8 A R - 0 0 114 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.361 49.6-118.5 -58.5 133.3 25.3 24.3 6.2 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.576 47.9 169.5 -81.0 81.0 25.0 28.1 6.7 10 10 A L E +D 23 0B 72 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.767 6.4 178.1 -93.1 135.5 25.0 28.1 10.5 11 11 A V E -D 22 0B 10 11,-2.9 11,-3.0 -2,-0.4 2,-0.5 -0.909 32.1-109.3-132.2 161.7 25.3 31.4 12.3 12 12 A T E -D 21 0B 78 -2,-0.3 55,-1.9 9,-0.2 2,-0.3 -0.807 37.5-172.8 -94.7 128.2 25.3 32.4 16.0 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.6 -2,-0.5 2,-0.4 -0.799 15.5-144.6-116.8 162.6 22.2 34.3 17.0 14 14 A K E +DE 19 65B 86 51,-1.9 51,-1.9 -2,-0.3 2,-0.3 -0.999 29.9 154.1-131.1 122.8 21.3 36.1 20.3 15 15 A I E > +D 18 0B 3 3,-2.6 3,-2.7 -2,-0.4 49,-0.1 -0.980 67.5 2.6-148.2 144.7 17.8 36.0 21.6 16 16 A G T 3 S- 0 0 55 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.779 127.9 -63.0 48.0 30.2 16.4 36.3 25.1 17 17 A G T 3 S+ 0 0 60 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.263 114.8 115.8 81.6 -13.2 20.0 36.8 26.3 18 18 A Q E < -D 15 0B 84 -3,-2.7 -3,-2.6 1,-0.0 2,-0.5 -0.698 61.8-137.7 -94.4 139.3 20.9 33.3 25.1 19 19 A L E +D 14 0B 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.846 31.9 173.2 -94.5 126.1 23.4 32.6 22.3 20 20 A K E -D 13 0B 30 -7,-2.6 -7,-3.0 -2,-0.5 2,-0.4 -0.826 32.0-121.6-129.7 165.7 22.2 29.9 19.9 21 21 A E E +D 12 0B 120 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.918 37.2 179.3-106.8 136.3 23.4 28.4 16.6 22 22 A A E -D 11 0B 1 -11,-3.0 -11,-2.9 -2,-0.4 2,-0.5 -0.985 28.5-120.0-141.2 155.3 20.9 28.6 13.8 23 23 A L E -Df 10 84B 4 60,-2.9 62,-3.2 -2,-0.3 2,-0.8 -0.787 23.2-132.5 -95.5 126.6 20.6 27.7 10.1 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.739 32.4-173.6 -77.2 115.1 19.9 30.5 7.6 25 25 A D > - 0 0 18 60,-2.9 3,-1.6 -2,-0.8 62,-0.3 -0.830 22.2-177.4-122.7 99.6 17.1 29.0 5.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.689 86.1 58.6 -67.4 -19.3 15.9 30.8 2.5 27 27 A G T 3 S+ 0 0 13 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.577 88.0 90.8 -83.8 -13.0 13.2 28.3 1.9 28 28 A A < - 0 0 19 -3,-1.6 59,-3.5 57,-0.2 60,-0.2 -0.763 57.3-164.5 -86.0 123.8 11.6 28.9 5.3 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.891 76.7 36.4 -70.0 -38.9 8.9 31.6 5.4 30 30 A D S S- 0 0 47 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.650 80.7-115.1-113.2 170.2 9.2 31.7 9.2 31 31 A T - 0 0 0 43,-0.4 45,-2.8 -2,-0.2 2,-0.4 -0.887 32.0-176.9-106.7 126.9 11.8 31.5 12.0 32 32 A V E -gH 76 84B 2 52,-1.7 52,-3.1 -2,-0.5 2,-0.3 -0.994 1.3-174.8-132.7 126.3 11.4 28.5 14.3 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.5 -2,-0.4 47,-0.2 -0.846 32.8 -94.3-118.3 155.4 13.6 27.9 17.3 34 34 A E - 0 0 73 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.200 69.6 -57.2 -63.0 160.0 13.8 25.0 19.8 35 35 A E S S+ 0 0 108 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.101 77.4 141.5 -44.3 125.0 11.8 25.1 23.0 36 36 A M - 0 0 16 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.964 53.5 -96.0-161.5 161.5 12.7 28.1 25.0 37 37 A S + 0 0 102 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.768 40.2 175.2 -90.9 126.2 11.0 30.7 27.2 38 38 A L - 0 0 10 -2,-0.5 2,-0.2 2,-0.1 -2,-0.0 -0.937 29.9-115.2-125.5 147.3 10.1 33.9 25.5 39 39 A P + 0 0 99 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.589 69.6 37.8 -84.0 154.6 8.2 36.7 27.3 40 40 A G S S- 0 0 62 -2,-0.2 2,-0.2 19,-0.1 -2,-0.1 -0.519 94.1 -46.2 105.6 179.0 4.8 37.8 26.3 41 41 A R - 0 0 194 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.541 56.0-163.8 -84.7 157.3 1.6 36.3 25.0 42 42 A W - 0 0 101 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.944 13.0-137.9-140.8 161.1 1.8 33.7 22.2 43 43 A K E -I 58 0B 113 15,-1.6 15,-3.5 -2,-0.3 2,-0.2 -0.928 25.7-117.5-119.4 142.9 -0.5 32.1 19.7 44 44 A P E +I 57 0B 76 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.572 39.9 173.1 -78.9 150.5 -0.4 28.5 18.8 45 45 A K E -I 56 0B 73 11,-2.3 11,-2.9 -2,-0.2 2,-0.5 -0.973 27.9-134.0-150.7 157.8 0.4 27.7 15.1 46 46 A M E +I 55 0B 119 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.984 24.4 179.7-118.9 123.3 1.1 24.7 13.0 47 47 A I E -I 54 0B 21 7,-2.4 7,-2.8 -2,-0.5 2,-0.3 -0.962 5.4-179.2-122.2 147.2 4.0 24.8 10.6 48 48 A G E +I 53 0B 37 -2,-0.4 5,-0.2 5,-0.3 2,-0.2 -0.925 17.2 143.4-144.1 165.1 5.1 22.0 8.3 49 49 A G E > +I 52 0B 27 3,-1.6 3,-2.0 -2,-0.3 2,-0.1 -0.700 67.9 1.1-163.4-140.5 7.6 21.0 5.8 50 50 A I T 3 S+ 0 0 25 1,-0.3 101,-1.2 -2,-0.2 102,-0.7 -0.428 133.7 19.7 -64.8 128.9 9.3 17.7 4.9 51 51 A G T 3 S- 0 0 32 128,-0.4 -1,-0.3 100,-0.2 2,-0.2 0.301 121.3 -84.8 95.5 -11.8 8.0 15.1 7.3 52 52 A G E < -I 49 0B 27 -3,-2.0 -3,-1.6 100,-0.1 99,-0.4 -0.675 62.7 -32.5 115.1-164.9 4.8 16.9 8.3 53 53 A F E -I 48 0B 142 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.3 -0.601 37.3-165.6-103.2 157.3 3.6 19.5 10.7 54 54 A I E -I 47 0B 21 -7,-2.8 -7,-2.4 -2,-0.2 2,-0.4 -0.947 25.9-118.1-135.0 150.9 4.6 20.5 14.2 55 55 A K E +I 46 0B 136 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.802 39.8 175.0 -90.7 134.9 2.8 22.7 16.7 56 56 A V E -I 45 0B 2 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.5 -0.866 31.2-118.1-134.6 165.4 4.7 25.8 17.7 57 57 A R E -IJ 44 77B 46 20,-2.7 20,-2.4 -2,-0.3 2,-0.6 -0.950 27.8-141.6-109.4 127.7 4.1 28.9 19.8 58 58 A Q E -IJ 43 76B 37 -15,-3.5 -15,-1.6 -2,-0.5 2,-0.4 -0.812 17.0-175.4 -97.0 120.9 4.2 32.2 18.0 59 59 A Y E - J 0 75B 6 16,-3.0 16,-3.0 -2,-0.6 3,-0.3 -0.928 14.0-149.8-112.2 133.2 5.7 35.2 19.6 60 60 A D E + 0 0 80 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.1 -0.666 68.9 19.9-101.3 159.6 5.6 38.5 17.8 61 61 A Q E S+ 0 0 156 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.843 76.1 165.0 53.0 46.7 8.0 41.5 17.9 62 62 A I E - J 0 73B 16 11,-2.7 11,-1.6 -3,-0.3 2,-0.5 -0.764 33.2-134.0 -94.7 133.1 11.0 39.5 19.2 63 63 A L E + J 0 72B 90 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.767 30.9 173.7 -87.3 128.0 14.4 41.1 18.9 64 64 A I E - J 0 71B 0 7,-3.0 7,-3.0 -2,-0.5 2,-0.5 -0.947 24.5-144.4-132.2 151.5 17.1 38.8 17.6 65 65 A E E -EJ 14 70B 52 -51,-1.9 -51,-1.9 -2,-0.3 2,-0.6 -0.992 14.3-168.4-119.5 120.9 20.7 39.5 16.7 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.8 -2,-0.5 -53,-0.2 -0.964 74.9 -27.6-113.9 114.6 21.9 37.5 13.7 67 67 A C T 3 S- 0 0 52 -55,-1.9 -1,-0.2 -2,-0.6 -54,-0.1 0.898 129.8 -45.4 46.0 46.7 25.7 37.7 13.2 68 68 A G T 3 S+ 0 0 60 -56,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.385 115.2 116.9 82.5 -4.2 25.7 41.1 14.9 69 69 A H E < - 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