==== 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 HYDROLASE 22-SEP-98 1BV7 . COMPND 2 MOLECULE: PROTEIN (HIV-1 PROTEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.ALA,C.H.CHANG . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9675.0 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 . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.9 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 . 27 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 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 1 4 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,-0.4 0.000 360.0 360.0 360.0 163.9 -12.8 39.3 30.0 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.778 360.0-165.7 -93.4 140.9 -14.5 37.8 27.0 3 3 A V E -A 197 0A 30 194,-2.9 194,-3.0 -2,-0.4 2,-0.2 -0.989 8.4-149.1-131.1 121.3 -12.5 35.3 25.1 4 4 A T E > -A 196 0A 63 -2,-0.5 3,-0.5 192,-0.2 192,-0.1 -0.470 20.8-124.8 -82.2 163.7 -13.2 33.9 21.7 5 5 A L T 3 S+ 0 0 1 190,-0.6 186,-0.2 1,-0.2 185,-0.1 0.132 78.7 106.7-104.4 24.5 -12.1 30.4 20.8 6 6 A W T 3 S+ 0 0 178 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.717 92.8 27.5 -69.0 -18.9 -10.0 31.0 17.6 7 7 A Q S < S- 0 0 134 -3,-0.5 -1,-0.0 3,-0.0 0, 0.0 -0.954 107.5 -79.9-136.5 152.0 -7.1 30.3 19.8 8 8 A R - 0 0 99 -2,-0.3 2,-1.2 1,-0.1 119,-0.1 -0.353 47.0-121.0 -48.8 132.8 -6.6 28.2 22.9 9 9 A P + 0 0 5 0, 0.0 15,-2.4 0, 0.0 2,-0.4 -0.668 43.9 170.3 -78.0 100.3 -7.8 30.1 25.9 10 10 A L E -D 23 0B 87 -2,-1.2 2,-0.3 13,-0.2 13,-0.2 -0.904 9.8-173.6-106.8 144.9 -4.7 30.2 28.0 11 11 A V E -D 22 0B 14 11,-2.4 11,-2.5 -2,-0.4 2,-0.5 -0.885 28.8-109.2-121.2 163.4 -4.5 32.4 31.1 12 12 A T E -D 21 0B 77 -2,-0.3 55,-2.8 9,-0.2 2,-0.4 -0.794 37.5-173.5 -86.9 132.6 -1.6 33.2 33.4 13 13 A I E -DE 20 66B 0 7,-2.8 7,-3.4 -2,-0.5 2,-0.5 -0.928 16.5-151.2-120.3 148.3 -1.9 31.6 36.8 14 14 A K E +DE 19 65B 95 51,-2.9 51,-2.8 -2,-0.4 2,-0.4 -0.988 25.8 163.7-117.2 127.8 0.2 32.1 39.9 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-2.4 -2,-0.5 49,-0.1 -0.992 64.8 -2.3-134.8 138.2 0.4 29.1 42.1 16 16 A G T 3 S- 0 0 46 47,-0.6 3,-0.1 -2,-0.4 48,-0.1 0.754 129.5 -55.4 60.2 22.9 2.9 28.4 44.8 17 17 A G T 3 S+ 0 0 61 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.697 117.6 107.1 80.0 18.4 4.8 31.5 44.1 18 18 A Q E < -D 15 0B 66 -3,-2.4 -3,-2.4 2,-0.0 2,-0.5 -0.968 65.3-130.4-131.2 145.4 5.3 30.6 40.5 19 19 A L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.822 32.8 168.8 -98.4 135.2 3.8 31.9 37.4 20 20 A K E -D 13 0B 33 -7,-3.4 -7,-2.8 -2,-0.5 2,-0.4 -0.798 31.3-127.8-132.6 173.0 2.3 29.4 34.9 21 21 A E E -D 12 0B 109 -2,-0.3 62,-0.4 -9,-0.3 2,-0.3 -0.961 33.8-178.2-125.5 138.1 0.1 29.5 31.8 22 22 A A E -D 11 0B 2 -11,-2.5 -11,-2.4 -2,-0.4 2,-0.3 -0.977 26.4-114.6-145.5 153.0 -2.9 27.3 31.8 23 23 A L E -Df 10 84B 6 60,-3.2 62,-2.9 -2,-0.3 2,-0.7 -0.686 24.3-130.7 -90.2 141.3 -5.8 26.3 29.6 24 24 A L E - f 0 85B 3 -15,-2.4 2,-0.6 -2,-0.3 62,-0.1 -0.828 33.4-171.7 -91.7 120.4 -9.3 27.2 30.5 25 25 A D > - 0 0 14 60,-2.7 3,-2.1 -2,-0.7 62,-0.3 -0.759 27.7-178.6-132.5 97.4 -11.2 24.0 30.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.3 -1,-0.1 0.673 86.6 56.7 -67.1 -15.9 -14.9 23.6 30.3 27 27 A G T 3 S+ 0 0 17 96,-0.1 2,-0.6 81,-0.1 -1,-0.3 0.545 89.0 89.4 -84.6 -4.5 -14.8 19.9 29.8 28 28 A A < - 0 0 19 -3,-2.1 59,-3.5 57,-0.2 60,-0.2 -0.773 55.2-165.1-100.7 128.4 -12.6 19.2 32.8 29 29 A D S S+ 0 0 65 -2,-0.6 59,-1.1 57,-0.2 2,-0.3 0.828 76.7 39.1 -71.7 -27.9 -14.1 18.6 36.1 30 30 A D S S- 0 0 39 57,-0.2 2,-0.4 58,-0.1 57,-0.1 -0.883 81.2-115.8-127.5 153.8 -10.8 19.1 37.9 31 31 A T - 0 0 0 43,-0.5 45,-1.5 -2,-0.3 2,-0.4 -0.728 34.3-172.9 -85.2 132.8 -7.8 21.3 37.6 32 32 A V E -gH 76 84B 4 52,-2.1 52,-3.5 -2,-0.4 2,-0.4 -0.998 1.7-166.8-136.4 131.2 -4.7 19.4 36.7 33 33 A L E -g 77 0B 1 43,-3.2 45,-2.6 -2,-0.4 3,-0.2 -0.915 25.8-107.2-127.8 145.5 -1.3 20.8 36.7 34 34 A E - 0 0 71 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.087 65.6 -62.3 -62.4 164.3 1.9 19.6 35.3 35 35 A E S S+ 0 0 118 43,-0.5 2,-0.3 45,-0.2 -1,-0.2 -0.270 76.7 142.3 -59.9 128.2 4.5 18.4 37.8 36 36 A M - 0 0 13 -3,-0.2 2,-0.6 2,-0.0 -3,-0.1 -0.944 51.1 -88.8-153.7 169.8 5.5 21.2 40.1 37 37 A S + 0 0 84 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.764 38.5 174.9 -91.4 123.1 6.4 21.7 43.8 38 38 A L - 0 0 19 -2,-0.6 2,-0.3 2,-0.1 -2,-0.0 -0.921 29.1-122.9-115.1 153.4 3.8 22.5 46.3 39 39 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 -0.650 71.5 24.2 -82.1 147.9 4.4 22.6 50.1 40 40 A G S S- 0 0 67 -2,-0.3 2,-0.2 19,-0.0 -2,-0.1 -0.762 92.8 -30.8 112.5-154.9 2.4 20.4 52.3 41 41 A R - 0 0 140 -2,-0.3 19,-0.3 19,-0.2 2,-0.3 -0.683 46.1-178.6-113.5 164.1 0.5 17.2 52.0 42 42 A W - 0 0 114 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.969 19.8-129.1-157.5 164.2 -1.3 15.4 49.3 43 43 A K E -I 58 0B 63 15,-2.3 15,-3.6 -2,-0.3 2,-0.2 -0.881 29.2-111.6-115.8 146.5 -3.3 12.4 48.5 44 44 A P E +I 57 0B 92 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.611 46.0 166.3 -74.2 142.6 -2.9 9.9 45.7 45 45 A K E -I 56 0B 73 11,-2.8 11,-3.3 -2,-0.2 2,-0.4 -0.954 27.0-143.2-147.0 165.9 -5.6 10.0 43.1 46 46 A M E +I 55 0B 121 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.997 16.6 178.4-130.6 140.6 -6.5 8.8 39.5 47 47 A I E -I 54 0B 24 7,-2.0 7,-2.8 -2,-0.4 2,-0.3 -0.940 17.2-139.0-131.0 156.9 -8.4 10.6 36.9 48 48 A G E +I 53 0B 40 -2,-0.3 5,-0.3 5,-0.3 2,-0.3 -0.799 25.7 157.7-109.6 161.5 -9.2 9.5 33.4 49 49 A G E > -I 52 0B 30 3,-2.9 3,-0.8 -2,-0.3 2,-0.2 -0.831 59.1 -44.7-144.1-158.2 -9.3 11.4 30.2 50 50 A I T 3 S+ 0 0 28 -2,-0.3 101,-3.4 1,-0.2 102,-0.5 -0.565 130.3 24.6 -61.8 140.3 -9.0 10.6 26.6 51 51 A G T 3 S- 0 0 29 128,-0.4 2,-0.3 100,-0.3 -1,-0.2 -0.114 124.9 -55.0 97.1 -38.8 -6.2 8.2 26.4 52 52 A G E < -I 49 0B 23 -3,-0.8 -3,-2.9 100,-0.2 2,-0.4 -0.991 63.2 -58.0 164.4-163.3 -6.2 6.8 29.8 53 53 A F E -I 48 0B 156 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.3 -0.939 40.0-157.5-117.4 147.9 -6.1 7.3 33.5 54 54 A I E -I 47 0B 18 -7,-2.8 -7,-2.0 -2,-0.4 2,-0.4 -0.952 16.7-128.3-122.2 150.7 -3.3 9.0 35.3 55 55 A K E +I 46 0B 106 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.788 39.9 174.6 -92.2 139.9 -2.3 8.8 38.9 56 56 A V E -I 45 0B 1 -11,-3.3 -11,-2.8 -2,-0.4 2,-0.6 -0.927 34.1-112.1-146.9 155.2 -2.0 12.2 40.3 57 57 A R E -IJ 44 77B 49 20,-2.6 20,-2.3 -2,-0.3 2,-0.6 -0.894 28.5-144.8-104.2 124.1 -1.4 13.9 43.7 58 58 A Q E +IJ 43 76B 44 -15,-3.6 -15,-2.3 -2,-0.6 2,-0.4 -0.777 21.4 177.1 -88.0 117.0 -4.4 15.7 45.1 59 59 A Y E - J 0 75B 7 16,-2.7 16,-2.5 -2,-0.6 3,-0.3 -0.949 14.4-154.6-112.7 141.1 -3.5 18.9 47.0 60 60 A D E + 0 0 36 -2,-0.4 -19,-0.2 -19,-0.3 14,-0.2 -0.872 57.5 22.8-142.7 177.0 -6.1 21.1 48.4 61 61 A Q E S+ 0 0 114 -2,-0.3 2,-0.4 1,-0.1 13,-0.2 0.376 72.4 164.5 -92.3 106.8 -7.0 23.7 49.3 62 62 A I E - J 0 73B 27 11,-2.8 11,-1.9 -3,-0.3 2,-0.4 -0.703 34.2-130.1 -91.9 133.3 -4.5 25.7 47.3 63 63 A L E + J 0 72B 80 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.667 31.7 177.0 -76.9 131.5 -4.7 29.4 46.6 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-1.7 -2,-0.4 2,-0.6 -0.995 22.8-148.2-133.5 136.7 -4.3 30.1 42.9 65 65 A E E -EJ 14 70B 56 -51,-2.8 -51,-2.9 -2,-0.4 2,-0.5 -0.962 17.3-172.1-109.6 128.3 -4.5 33.5 41.2 66 66 A I E > -EJ 13 69B 0 3,-3.3 3,-2.0 -2,-0.6 -53,-0.2 -0.978 66.3 -34.9-127.3 116.1 -5.9 33.1 37.8 67 67 A C T 3 S- 0 0 63 -55,-2.8 -53,-0.1 -2,-0.5 -56,-0.0 -0.517 126.9 -36.3 55.4-130.9 -5.8 36.2 35.7 68 68 A G T 3 S+ 0 0 57 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.673 119.4 103.3 -84.6 -10.6 -6.4 38.7 38.5 69 69 A H E < - J 0 66B 74 -3,-2.0 -3,-3.3 -4,-0.1 2,-0.3 -0.548 59.2-148.1 -92.9 128.4 -8.8 36.5 40.4 70 70 A K E + J 0 65B 138 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.662 24.9 164.8 -85.9 147.8 -7.9 34.6 43.5 71 71 A A E - J 0 64B 5 -7,-1.7 -7,-2.6 -2,-0.3 2,-0.4 -0.959 23.9-145.0-152.9 160.3 -9.5 31.4 44.2 72 72 A I E + J 0 63B 83 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -1.000 41.2 105.6-132.1 133.7 -8.9 28.5 46.6 73 73 A G E - J 0 62B 6 -11,-1.9 -11,-2.8 -2,-0.4 2,-0.4 -0.964 65.0 -44.4-174.3-169.2 -9.6 24.8 45.8 74 74 A T E - 0 0 34 -2,-0.3 -43,-0.5 -13,-0.2 2,-0.3 -0.678 45.5-177.8 -77.7 129.5 -8.2 21.4 45.0 75 75 A V E - J 0 59B 0 -16,-2.5 -16,-2.7 -2,-0.4 2,-0.4 -0.928 12.7-150.9-122.0 149.4 -5.5 21.1 42.4 76 76 A L E -gJ 32 58B 1 -45,-1.5 -43,-3.2 -2,-0.3 2,-0.4 -0.959 7.2-154.3-118.9 138.9 -4.0 17.9 41.2 77 77 A V E +gJ 33 57B 0 -20,-2.3 -20,-2.6 -2,-0.4 -43,-0.2 -0.927 37.8 108.1-116.9 138.1 -0.5 17.7 40.0 78 78 A G S S- 0 0 3 -45,-2.6 2,-1.8 -2,-0.4 -43,-0.5 -0.939 72.5 -37.2-179.1-164.7 0.6 15.0 37.6 79 79 A P S S+ 0 0 89 0, 0.0 -45,-0.1 0, 0.0 -2,-0.0 -0.455 71.2 143.1 -89.0 69.4 1.7 14.0 34.0 80 80 A T - 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