==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACID PROTEASE) 24-MAY-94 1SBG . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 BH . AUTHOR S.ABDEL-MEGUID,B.ZHAO . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 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 . 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 . 20 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 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 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 5 0 0 2 3 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 . 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 82 0, 0.0 198,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-171.0 -12.6 39.3 29.9 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.999 360.0-164.1-123.1 123.3 -14.4 37.8 26.9 3 3 A I E -A 197 0A 34 194,-2.8 194,-2.6 -2,-0.4 2,-0.3 -0.961 6.2-154.0-116.9 127.4 -12.4 35.1 25.2 4 4 A T E > -A 196 0A 74 -2,-0.5 3,-0.6 192,-0.2 192,-0.2 -0.718 22.9-124.3 -93.9 149.1 -13.3 33.9 21.7 5 5 A L T 3 S+ 0 0 1 190,-0.8 186,-0.2 -2,-0.3 185,-0.1 0.231 77.9 110.8 -84.1 21.3 -12.2 30.3 20.9 6 6 A W T 3 S+ 0 0 179 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.684 90.2 24.1 -66.6 -19.1 -10.1 31.0 17.7 7 7 A Q S < S- 0 0 161 -3,-0.6 0, 0.0 3,-0.0 0, 0.0 -0.825 111.4 -74.7-133.5 172.7 -6.9 30.1 19.7 8 8 A R - 0 0 118 -2,-0.3 2,-1.5 1,-0.1 119,-0.1 -0.595 50.9-115.0 -70.6 129.6 -6.6 27.9 22.8 9 9 A P + 0 0 3 0, 0.0 15,-2.1 0, 0.0 2,-0.4 -0.473 48.4 171.6 -70.6 87.0 -7.9 29.9 25.9 10 10 A L E -D 23 0B 86 -2,-1.5 2,-0.3 13,-0.2 13,-0.3 -0.862 7.4-178.4 -98.2 135.8 -4.6 30.3 27.8 11 11 A V E -D 22 0B 16 11,-3.1 11,-2.3 -2,-0.4 2,-0.3 -0.950 29.9-110.7-132.8 145.8 -4.5 32.5 30.9 12 12 A T E -D 21 0B 87 -2,-0.3 55,-1.9 9,-0.2 2,-0.3 -0.676 37.9-171.1 -80.5 133.8 -1.6 33.4 33.2 13 13 A I E -DE 20 66B 2 7,-2.9 7,-2.1 -2,-0.3 2,-0.5 -0.885 21.1-146.9-123.6 157.5 -1.9 31.9 36.7 14 14 A K E +DE 19 65B 77 51,-2.0 51,-2.3 -2,-0.3 2,-0.4 -0.992 24.5 169.9-122.8 111.0 0.0 32.4 39.9 15 15 A I E > -DE 18 64B 0 3,-2.4 3,-2.1 -2,-0.5 49,-0.1 -0.998 67.4 -27.3-128.6 121.4 0.2 29.1 42.1 16 16 A G T 3 S- 0 0 43 47,-0.7 21,-0.1 -2,-0.4 -1,-0.1 0.842 125.6 -37.7 38.2 68.6 2.6 29.1 45.0 17 17 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.198 119.1 100.4 80.5 -13.9 5.3 31.6 44.1 18 18 A Q E < -D 15 0B 64 -3,-2.1 -3,-2.4 0, 0.0 2,-0.4 -0.803 62.2-139.3-119.4 152.9 5.3 30.6 40.5 19 19 A L E +D 14 0B 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.850 31.0 162.3-107.7 131.9 3.9 31.9 37.3 20 20 A K E -D 13 0B 35 -7,-2.1 -7,-2.9 -2,-0.4 2,-0.4 -0.909 35.1-124.3-143.3 165.7 2.4 29.5 34.6 21 21 A E E +D 12 0B 114 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.913 34.7 179.8-114.2 140.9 0.1 29.6 31.6 22 22 A A E -D 11 0B 1 -11,-2.3 -11,-3.1 -2,-0.4 2,-0.3 -0.972 27.2-113.8-142.6 159.2 -2.9 27.3 31.7 23 23 A L E -Df 10 84B 8 60,-2.4 62,-2.6 -2,-0.3 2,-0.8 -0.696 23.1-129.6 -91.2 141.5 -5.9 26.5 29.5 24 24 A L E - f 0 85B 0 -15,-2.1 2,-0.6 -2,-0.3 62,-0.1 -0.847 35.9-171.0 -89.6 111.8 -9.5 27.3 30.6 25 25 A D > + 0 0 15 60,-2.6 3,-1.4 -2,-0.8 62,-0.4 -0.790 30.0 178.6-120.1 108.1 -11.2 24.0 30.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.682 86.4 61.7 -74.0 -16.0 -15.0 23.5 30.4 27 27 A G T 3 S+ 0 0 26 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.263 90.9 82.3 -88.0 14.5 -14.6 19.7 29.5 28 28 A A < - 0 0 17 -3,-1.4 59,-2.8 57,-0.2 60,-0.2 -0.958 57.4-165.8-120.6 121.8 -12.4 19.1 32.7 29 29 A D S S+ 0 0 58 -2,-0.5 59,-1.3 57,-0.2 2,-0.2 0.856 77.6 42.7 -75.9 -23.8 -14.1 18.5 36.1 30 30 A D S S- 0 0 45 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.738 82.2-116.0-117.7 163.0 -10.8 19.1 37.8 31 31 A T E -g 75 0B 1 43,-0.5 45,-1.8 -2,-0.2 2,-0.4 -0.807 34.9-175.9 -96.4 124.5 -7.8 21.4 37.7 32 32 A V E -gH 76 84B 9 52,-1.6 52,-2.9 -2,-0.5 2,-0.3 -0.992 1.4-171.5-124.2 124.5 -4.7 19.4 36.7 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.2 -2,-0.4 47,-0.2 -0.794 28.3-104.7-114.7 158.2 -1.3 21.1 36.7 34 34 A E E -g 78 0B 73 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.291 65.9 -54.6 -73.2 158.6 2.0 19.6 35.4 35 35 A E S S+ 0 0 112 43,-0.7 2,-0.3 45,-0.2 -1,-0.2 -0.129 77.7 160.9 -43.4 113.5 4.6 18.5 37.8 36 36 A M - 0 0 24 -3,-0.2 2,-0.7 2,-0.0 -3,-0.0 -0.836 47.8-100.7-129.0 180.0 5.3 21.3 40.0 37 37 A N + 0 0 124 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.913 48.8 166.0-109.5 95.2 6.8 22.1 43.4 38 38 A L - 0 0 17 -2,-0.7 2,-0.2 2,-0.1 -2,-0.0 -0.951 35.1-118.7-115.1 134.6 3.9 22.6 45.9 39 39 A P + 0 0 102 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.450 65.5 20.5 -62.3 133.6 4.2 22.8 49.7 40 40 A G S S- 0 0 56 -2,-0.2 2,-0.3 19,-0.0 -2,-0.1 -0.542 89.3 -27.0 127.1-176.7 2.3 20.1 51.7 41 41 A R - 0 0 220 -2,-0.2 19,-0.3 19,-0.1 2,-0.3 -0.628 52.0-176.9 -78.7 139.6 0.6 16.9 52.1 42 42 A W - 0 0 129 -2,-0.3 17,-0.2 17,-0.1 34,-0.1 -0.934 13.7-143.5-136.4 158.7 -0.9 15.5 48.9 43 43 A K E -I 58 0B 154 15,-2.2 15,-2.9 -2,-0.3 2,-0.1 -0.958 23.9-106.7-125.7 143.2 -2.9 12.3 48.5 44 44 A P E +I 57 0B 101 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.434 44.0 160.1 -66.5 147.7 -2.9 9.8 45.4 45 45 A K E -I 56 0B 63 11,-1.7 11,-2.8 -2,-0.1 2,-0.4 -0.954 29.0-136.9-160.3 153.3 -5.9 9.7 43.0 46 46 A M E -I 55 0B 117 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.961 18.5-167.4-123.7 136.4 -6.3 8.5 39.4 47 47 A I E -I 54 0B 19 7,-2.2 7,-2.3 -2,-0.4 2,-0.4 -0.956 11.8-139.9-122.6 146.1 -8.1 10.4 36.7 48 48 A G E +I 53 0B 49 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.881 25.6 162.7-105.6 140.7 -9.4 9.4 33.3 49 49 A G E > -I 52 0B 24 3,-2.8 3,-1.6 -2,-0.4 100,-0.1 -0.602 60.4 -62.7-135.3-163.6 -9.2 11.6 30.2 50 50 A I T 3 S+ 0 0 32 1,-0.3 101,-0.1 -2,-0.2 3,-0.1 0.842 131.2 37.5 -67.8 -30.7 -9.5 10.6 26.5 51 51 A G T 3 S- 0 0 20 99,-1.9 2,-0.3 101,-0.2 -1,-0.3 0.199 124.0 -74.1-100.8 17.9 -6.5 8.3 26.1 52 52 A G E < -I 49 0B 27 -3,-1.6 -3,-2.8 98,-0.4 2,-0.3 -0.889 62.6 -42.5 131.5-164.7 -6.7 6.7 29.6 53 53 A F E -I 48 0B 163 -2,-0.3 2,-0.3 98,-0.3 -5,-0.3 -0.849 41.4-164.4-116.7 140.4 -6.1 7.2 33.3 54 54 A I E -I 47 0B 21 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.6 -0.881 22.1-122.2-125.7 158.1 -3.1 8.8 35.0 55 55 A K E +I 46 0B 126 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.893 38.5 173.4 -94.8 121.8 -1.9 8.8 38.6 56 56 A V E -I 45 0B 3 -11,-2.8 -11,-1.7 -2,-0.6 2,-0.4 -0.853 32.8-119.9-127.5 165.1 -1.8 12.3 40.0 57 57 A R E -IJ 44 77B 76 20,-2.8 20,-3.0 -2,-0.3 2,-0.5 -0.843 33.7-135.2-101.7 138.4 -1.0 13.7 43.5 58 58 A Q E -IJ 43 76B 43 -15,-2.9 -15,-2.2 -2,-0.4 2,-0.4 -0.893 18.8-171.3-109.2 135.4 -4.0 15.7 45.0 59 59 A Y E - J 0 75B 19 16,-3.0 16,-2.2 -2,-0.5 2,-0.3 -0.948 6.4-160.0-119.5 129.8 -3.8 19.0 46.8 60 60 A D E + 0 0 96 -2,-0.4 14,-0.2 -19,-0.3 -19,-0.1 -0.814 68.5 16.4-116.4 154.8 -6.7 20.7 48.7 61 61 A Q E S+ 0 0 143 -2,-0.3 2,-0.3 1,-0.2 13,-0.2 0.705 78.2 158.6 55.9 42.8 -7.2 24.2 49.7 62 62 A I E - J 0 73B 27 11,-2.3 11,-2.0 -3,-0.3 2,-0.3 -0.689 38.2-128.9 -91.9 130.9 -4.5 25.5 47.4 63 63 A L E - J 0 72B 87 -2,-0.3 -47,-0.7 9,-0.2 2,-0.4 -0.687 28.8-179.4 -85.3 133.9 -4.7 29.3 46.4 64 64 A I E -EJ 15 71B 0 7,-2.4 7,-1.9 -2,-0.3 2,-0.7 -0.992 22.8-149.4-135.1 136.6 -4.5 30.2 42.7 65 65 A E E -EJ 14 70B 47 -51,-2.3 -51,-2.0 -2,-0.4 2,-0.6 -0.956 17.6-172.8-104.2 112.6 -4.7 33.5 41.1 66 66 A I E > S-EJ 13 69B 0 3,-2.7 3,-1.5 -2,-0.7 -53,-0.2 -0.956 76.3 -28.2-108.2 113.5 -6.3 33.0 37.7 67 67 A C T 3 S- 0 0 52 -55,-1.9 -1,-0.2 -2,-0.6 -54,-0.1 0.944 127.6 -45.1 47.8 52.0 -6.1 36.3 35.8 68 68 A G T 3 S+ 0 0 70 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.719 115.4 116.4 73.4 8.4 -6.1 38.5 39.0 69 69 A H E < - J 0 66B 58 -3,-1.5 -3,-2.7 2,-0.0 2,-0.4 -0.961 57.7-149.9-108.1 125.8 -9.0 36.4 40.5 70 70 A K E + J 0 65B 136 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.819 27.2 164.2 -95.8 141.3 -7.9 34.6 43.6 71 71 A A E - J 0 64B 6 -7,-1.9 -7,-2.4 -2,-0.4 2,-0.4 -0.938 23.9-144.5-144.3 165.3 -9.8 31.4 44.0 72 72 A I E + J 0 63B 63 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.995 38.1 110.8-143.7 132.6 -9.1 28.4 46.3 73 73 A G E - J 0 62B 16 -11,-2.0 -11,-2.3 -2,-0.4 2,-0.4 -0.864 63.4 -41.8-169.6-165.2 -9.6 24.7 45.6 74 74 A T E - 0 0 34 -2,-0.3 -43,-0.5 -14,-0.2 2,-0.4 -0.795 45.5-167.5 -87.6 130.9 -8.2 21.3 44.9 75 75 A V E -gJ 31 59B 0 -16,-2.2 -16,-3.0 -2,-0.4 2,-0.4 -0.938 7.8-153.2-120.2 129.2 -5.3 21.2 42.5 76 76 A L E -gJ 32 58B 1 -45,-1.8 -43,-3.2 -2,-0.4 2,-0.4 -0.935 11.3-161.0-103.2 131.1 -4.2 17.8 41.0 77 77 A V E +gJ 33 57B 3 -20,-3.0 -20,-2.8 -2,-0.4 -43,-0.2 -0.957 37.1 94.0-114.5 138.9 -0.5 17.7 40.0 78 78 A G E S-g 34 0B 1 -45,-2.2 2,-1.7 -2,-0.4 -43,-0.7 -0.979 77.9 -27.7 176.5-162.8 0.8 15.1 37.7 79 79 A P + 0 0 76 0, 0.0 72,-0.4 0, 0.0 -45,-0.1 -0.395 69.5 143.0 -77.4 61.0 1.6 14.0 34.1 80 80 A T - 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