==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAY-02 1LV1 . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.KUMAR,K.K.KANNAN,M.V.HOSUR,N.S.BHAVESH,A.CHATTERJEE, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.7 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 . 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 . 29 14.6 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 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 0 101 0, 0.0 198,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.5 -27.9 30.7 25.4 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.934 360.0-159.3-114.6 135.7 -25.6 31.1 28.4 3 3 A V E -A 197 0A 34 194,-3.1 194,-2.8 -2,-0.4 2,-0.1 -0.955 3.3-155.5-120.1 128.3 -24.1 28.1 30.3 4 4 A T - 0 0 71 -2,-0.4 3,-0.2 192,-0.2 192,-0.1 -0.397 20.9-128.0 -87.3 175.4 -22.7 28.1 33.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.162 76.5 106.0-117.1 22.5 -20.2 25.5 34.8 6 6 A W S S+ 0 0 191 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.742 92.8 31.9 -69.3 -21.8 -21.5 24.0 38.0 7 7 A Q S S- 0 0 141 -3,-0.2 -1,-0.0 3,-0.0 0, 0.0 -0.933 111.4 -77.9-131.7 154.1 -22.5 20.9 35.9 8 8 A R - 0 0 107 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.288 50.1-117.0 -52.1 131.2 -20.9 19.4 32.8 9 9 A P + 0 0 2 0, 0.0 15,-2.4 0, 0.0 2,-0.3 -0.495 49.3 172.7 -76.3 78.9 -21.9 21.6 29.9 10 10 A L E +D 23 0B 77 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.690 6.8 177.2 -92.3 139.7 -23.8 19.0 27.9 11 11 A V E -D 22 0B 12 11,-2.5 11,-2.7 -2,-0.3 2,-0.4 -0.920 31.3-105.1-137.6 163.8 -25.8 19.7 24.8 12 12 A T E -D 21 0B 79 -2,-0.3 55,-2.2 9,-0.2 2,-0.4 -0.715 35.2-173.6 -90.1 136.7 -27.9 17.9 22.3 13 13 A I E -DE 20 66B 0 7,-3.5 7,-2.7 -2,-0.4 2,-0.5 -0.982 16.1-151.7-130.3 144.6 -26.4 17.3 18.8 14 14 A K E +DE 19 65B 99 51,-2.3 51,-2.7 -2,-0.4 2,-0.3 -0.977 27.7 162.2-114.6 123.9 -27.9 15.8 15.7 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.0 -2,-0.5 49,-0.1 -0.980 63.5 -5.4-145.0 130.3 -25.4 14.1 13.5 16 16 A G T 3 S- 0 0 44 47,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.868 128.3 -55.4 56.8 39.0 -26.0 11.6 10.7 17 17 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.400 117.3 110.3 77.1 -3.7 -29.7 11.4 11.5 18 18 A Q E < -D 15 0B 69 -3,-2.0 -3,-2.6 2,-0.0 2,-0.5 -0.782 62.6-133.4-110.4 152.5 -28.9 10.5 15.1 19 19 A L E +D 14 0B 130 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.870 34.3 158.6-103.9 130.1 -29.4 12.3 18.4 20 20 A K E -D 13 0B 37 -7,-2.7 -7,-3.5 -2,-0.5 2,-0.4 -0.944 37.1-122.0-145.5 162.1 -26.6 12.4 20.9 21 21 A E E -D 12 0B 113 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.868 34.1-177.5-105.6 141.6 -25.5 14.4 23.9 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.5 -2,-0.4 2,-0.5 -0.962 25.2-114.2-140.5 158.3 -22.0 16.0 23.7 23 23 A L E -Df 10 84B 5 60,-2.8 62,-3.1 -2,-0.3 2,-0.9 -0.794 21.3-130.1 -98.9 129.4 -19.7 18.0 26.0 24 24 A L E - f 0 85B 0 -15,-2.4 2,-0.7 -2,-0.5 62,-0.1 -0.682 34.1-173.5 -76.3 107.6 -18.7 21.6 25.1 25 25 A D > + 0 0 14 60,-2.3 3,-1.4 -2,-0.9 62,-0.2 -0.874 23.9 178.4-113.0 100.3 -14.9 21.2 25.5 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.707 84.2 64.9 -70.7 -17.1 -12.9 24.4 25.3 27 27 A G T 3 S+ 0 0 20 -3,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.466 88.5 81.5 -84.7 -0.3 -9.9 22.3 26.0 28 28 A A < - 0 0 18 -3,-1.4 59,-3.2 57,-0.2 60,-0.2 -0.910 55.9-164.6-111.9 131.7 -10.1 20.3 22.8 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.7 57,-0.2 2,-0.2 0.899 80.8 42.6 -73.4 -41.8 -8.8 21.4 19.4 30 30 A D S S- 0 0 55 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.543 83.1-116.9-104.4 168.1 -10.9 18.7 17.7 31 31 A T - 0 0 0 43,-0.4 45,-2.2 54,-0.2 2,-0.5 -0.915 32.7-169.3-103.8 124.1 -14.4 17.2 18.0 32 32 A V E -gH 76 84B 6 52,-1.3 52,-3.1 -2,-0.5 2,-0.4 -0.966 2.9-171.2-123.3 123.7 -14.3 13.6 19.0 33 33 A L E -g 77 0B 0 43,-3.4 45,-2.8 -2,-0.5 3,-0.2 -0.868 28.5-106.4-115.5 145.7 -17.4 11.3 18.9 34 34 A E - 0 0 80 -2,-0.4 -1,-0.1 43,-0.2 50,-0.0 -0.136 65.4 -63.4 -57.2 160.6 -17.9 7.8 20.2 35 35 A E S S+ 0 0 110 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.240 74.8 154.4 -52.8 127.3 -18.0 5.0 17.6 36 36 A M - 0 0 11 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.989 50.6 -90.3-157.2 151.2 -21.1 5.6 15.3 37 37 A S + 0 0 99 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.485 49.3 173.6 -66.8 115.8 -22.2 4.8 11.8 38 38 A L - 0 0 17 -2,-0.4 2,-0.2 2,-0.1 -2,-0.0 -0.991 27.6-130.0-129.4 130.2 -21.2 7.7 9.5 39 39 A P + 0 0 104 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.533 64.8 44.2 -76.7 141.2 -21.6 7.8 5.7 40 40 A G S S- 0 0 64 -2,-0.2 2,-0.3 19,-0.0 -2,-0.1 -0.651 87.4 -48.5 125.6 179.0 -18.5 8.7 3.8 41 41 A R - 0 0 222 -2,-0.2 19,-0.4 19,-0.1 2,-0.2 -0.718 51.8-170.8 -93.8 142.6 -14.7 8.3 3.3 42 42 A W - 0 0 109 -2,-0.3 17,-0.2 17,-0.1 15,-0.1 -0.788 17.0-140.5-129.5 173.8 -12.4 8.5 6.3 43 43 A K E -I 58 0B 120 15,-0.8 15,-1.9 -2,-0.2 13,-0.1 -0.993 27.1-116.3-137.8 126.5 -8.7 8.7 7.1 44 44 A P E +I 57 0B 87 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.283 47.5 158.5 -59.2 148.5 -7.0 6.9 10.0 45 45 A K E -I 56 0B 83 11,-1.8 11,-4.1 2,-0.0 2,-0.4 -0.977 31.8-132.1-166.0 160.5 -5.5 9.4 12.5 46 46 A M E -I 55 0B 105 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.949 15.5-168.2-124.7 146.1 -4.3 9.7 16.1 47 47 A I E -I 54 0B 17 7,-1.9 7,-2.0 -2,-0.4 2,-0.2 -0.951 15.0-132.5-130.8 150.9 -5.0 12.3 18.7 48 48 A G E +I 53 0B 65 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.672 34.1 144.6-101.3 159.0 -3.5 13.0 22.1 49 49 A G E > -I 52 0B 25 3,-1.4 3,-0.8 -2,-0.2 2,-0.3 -0.877 58.4 -48.4-166.6-169.6 -5.2 13.6 25.4 50 50 A I T 3 S+ 0 0 30 -2,-0.3 101,-1.2 1,-0.2 102,-0.9 -0.607 123.4 25.0 -79.1 138.6 -4.6 12.9 29.1 51 51 A G T 3 S- 0 0 32 128,-0.4 2,-0.3 -2,-0.3 102,-0.3 0.127 125.8 -62.8 98.3 -22.5 -3.8 9.2 29.7 52 52 A G E < -I 49 0B 30 -3,-0.8 -3,-1.4 100,-0.2 99,-0.5 -0.988 67.1 -46.1 148.5-157.1 -2.4 8.6 26.2 53 53 A F E -I 48 0B 149 -2,-0.3 2,-0.3 98,-0.3 -5,-0.2 -0.877 38.7-161.5-120.0 149.6 -3.1 8.5 22.5 54 54 A I E -I 47 0B 17 -7,-2.0 -7,-1.9 -2,-0.3 2,-0.5 -0.940 19.6-121.8-131.5 155.2 -6.0 7.0 20.6 55 55 A K E +I 46 0B 87 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.814 38.1 173.2 -95.9 129.6 -6.6 6.0 16.9 56 56 A V E -I 45 0B 0 -11,-4.1 -11,-1.8 -2,-0.5 2,-0.4 -0.923 32.6-118.3-136.3 161.7 -9.6 7.6 15.2 57 57 A R E -IJ 44 77B 54 20,-2.3 20,-2.3 -2,-0.3 2,-0.6 -0.829 29.9-140.3 -98.3 135.9 -11.2 7.9 11.8 58 58 A Q E -IJ 43 76B 30 -15,-1.9 -15,-0.8 -2,-0.4 2,-0.5 -0.870 18.2-176.4-105.8 123.4 -11.4 11.4 10.3 59 59 A Y E - J 0 75B 18 16,-3.0 16,-3.3 -2,-0.6 3,-0.4 -0.964 8.8-162.9-117.2 121.4 -14.4 12.6 8.4 60 60 A D E + 0 0 74 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.531 68.4 27.0 -97.2 166.8 -14.3 16.1 6.9 61 61 A Q E S+ 0 0 155 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.777 79.7 159.7 54.4 31.9 -17.3 18.1 5.7 62 62 A I E - J 0 73B 22 11,-2.1 11,-1.8 -3,-0.4 2,-0.4 -0.665 36.7-131.8 -85.8 138.9 -19.7 16.5 8.2 63 63 A L E + J 0 72B 89 -2,-0.3 -47,-0.5 9,-0.2 2,-0.3 -0.725 31.1 173.1 -90.5 140.3 -22.9 18.3 9.0 64 64 A I E -EJ 15 71B 1 7,-2.7 7,-1.6 -2,-0.4 2,-0.6 -0.997 23.9-146.6-149.1 138.9 -23.8 18.6 12.7 65 65 A E E -EJ 14 70B 50 -51,-2.7 -51,-2.3 -2,-0.3 2,-0.5 -0.946 13.7-173.0-110.8 121.7 -26.5 20.4 14.6 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-2.6 -2,-0.6 -53,-0.2 -0.958 75.8 -26.1-115.4 116.2 -25.5 21.7 18.0 67 67 A C T 3 S- 0 0 55 -55,-2.2 -1,-0.2 -2,-0.5 -54,-0.1 0.908 127.9 -48.9 44.3 48.7 -28.5 23.2 20.0 68 68 A G T 3 S+ 0 0 58 -56,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.174 114.7 117.2 82.7 -20.7 -30.2 24.0 16.8 69 69 A H E < - J 0 66B 79 -3,-2.6 -3,-2.8 24,-0.0 -1,-0.2 -0.728 58.6-140.3 -87.1 122.7 -27.2 25.7 15.1 70 70 A K E + J 0 65B 150 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.444 26.2 171.6 -78.5 153.1 -26.0 23.9 12.0 71 71 A A E - J 0 64B 5 -7,-1.6 -7,-2.7 -2,-0.1 2,-0.4 -0.973 21.7-150.0-160.7 146.4 -22.3 23.6 11.4 72 72 A I E + J 0 63B 82 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.982 41.1 110.6-123.4 134.2 -20.0 21.8 9.0 73 73 A G E - J 0 62B 10 -11,-1.8 -11,-2.1 -2,-0.4 2,-0.3 -0.976 64.0 -46.7-176.4-174.0 -16.5 20.6 9.9 74 74 A T E - 0 0 53 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.4 -0.561 47.3-166.2 -78.9 138.2 -14.2 17.8 10.6 75 75 A V E - J 0 59B 0 -16,-3.3 -16,-3.0 -2,-0.3 2,-0.5 -0.986 9.0-153.2-129.0 134.4 -15.3 15.1 12.9 76 76 A L E -gJ 32 58B 3 -45,-2.2 -43,-3.4 -2,-0.4 2,-0.5 -0.931 9.1-162.6-109.2 125.7 -13.2 12.4 14.6 77 77 A V E +gJ 33 57B 0 -20,-2.3 -20,-2.3 -2,-0.5 -43,-0.2 -0.926 34.4 113.1-109.5 127.2 -14.9 9.1 15.5 78 78 A G S S- 0 0 0 -45,-2.8 2,-2.5 -2,-0.5 -43,-0.3 -0.967 73.6 -48.7-170.3-174.5 -13.1 6.9 18.0 79 79 A P + 0 0 83 0, 0.0 -45,-0.1 0, 0.0 -2,-0.0 -0.366 69.5 153.8 -74.2 64.8 -13.0 5.2 21.4 80 80 A T - 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