==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-JAN-10 3LIQ . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN T-LYMPHOTROPIC VIRUS 1; . AUTHOR T.SATOH,M.LI,J.NGUYEN,Y.KISO,A.WLODAWER,A.GUSTCHINA . 233 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 30.9 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 . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 1 1 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 . 4 2 11 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 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 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 68 0, 0.0 231,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 171.3 29.1 37.7 5.0 2 2 A V E -A 231 0A 89 229,-0.2 229,-0.2 231,-0.0 227,-0.0 -0.936 360.0-159.1 -92.8 119.5 27.7 34.1 5.2 3 3 A I E -A 230 0A 25 227,-3.3 227,-2.3 -2,-0.6 2,-0.0 -0.908 7.9-142.8-106.4 110.0 28.1 33.1 8.9 4 4 A P E -A 229 0A 100 0, 0.0 2,-0.5 0, 0.0 225,-0.2 -0.303 15.9-127.9 -67.2 149.9 28.1 29.2 9.5 5 5 A L + 0 0 7 223,-1.0 222,-0.1 218,-0.2 5,-0.1 -0.908 34.4 163.7-111.5 132.0 26.4 28.0 12.6 6 6 A D B > -D 9 0B 43 3,-0.6 3,-0.9 -2,-0.5 215,-0.2 -0.995 37.9-138.1-150.0 126.7 28.2 25.7 15.0 7 7 A P T 3 S+ 0 0 41 0, 0.0 214,-0.1 0, 0.0 213,-0.1 0.829 104.8 53.9 -60.5 -29.3 27.3 24.8 18.6 8 8 A A T 3 S+ 0 0 80 1,-0.2 2,-0.5 212,-0.1 145,-0.1 0.638 107.9 52.0 -82.2 -17.3 31.0 25.0 19.7 9 9 A R B < S-D 6 0B 181 -3,-0.9 -3,-0.6 144,-0.1 -1,-0.2 -0.958 80.1-134.4-127.7 115.5 31.6 28.5 18.3 10 10 A R - 0 0 117 -2,-0.5 2,-0.7 1,-0.1 141,-0.1 -0.435 28.6-115.7 -60.5 129.7 29.4 31.5 19.1 11 11 A P + 0 0 7 0, 0.0 20,-3.0 0, 0.0 2,-0.3 -0.597 50.1 175.3 -72.1 110.5 28.5 33.6 15.9 12 12 A V E -E 30 0C 61 -2,-0.7 2,-0.3 18,-0.2 18,-0.2 -0.797 19.9-172.8-120.3 155.7 30.3 36.9 16.6 13 13 A I E -E 29 0C 19 16,-2.2 16,-3.1 -2,-0.3 2,-0.5 -0.981 29.0-117.2-139.9 154.9 30.9 40.2 14.8 14 14 A K E -E 28 0C 114 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.851 39.7-178.6 -89.5 126.3 32.9 43.4 15.5 15 15 A A E -E 27 0C 2 12,-2.7 12,-2.8 -2,-0.5 2,-0.7 -0.987 26.7-138.2-129.8 134.5 30.5 46.3 15.9 16 16 A Q E -EF 26 77C 72 61,-3.0 61,-2.7 -2,-0.4 2,-0.5 -0.876 27.4-163.8 -92.3 115.4 31.2 50.0 16.5 17 17 A V E -EF 25 76C 4 8,-2.7 8,-1.8 -2,-0.7 2,-0.6 -0.892 12.7-167.9-110.8 123.5 28.6 51.2 19.0 18 18 A D E - F 0 75C 32 57,-3.7 57,-2.6 -2,-0.5 5,-0.1 -0.928 7.3-179.7-110.9 105.5 27.9 54.9 19.6 19 19 A T - 0 0 4 -2,-0.6 53,-0.2 25,-0.4 -1,-0.1 0.559 40.9-128.7 -76.2 -9.9 25.8 55.4 22.7 20 20 A Q S S+ 0 0 93 2,-0.5 3,-0.1 55,-0.1 25,-0.1 0.653 95.7 85.2 65.1 19.3 25.9 59.2 22.0 21 21 A T S S- 0 0 31 1,-0.3 2,-0.3 23,-0.3 24,-0.1 0.436 103.0 -5.6-123.8 -9.0 27.0 59.6 25.7 22 22 A S S S- 0 0 47 22,-0.1 -2,-0.5 23,-0.1 -1,-0.3 -0.910 102.2 -42.1-163.0-171.9 30.7 59.1 25.1 23 23 A H - 0 0 154 -2,-0.3 -4,-0.1 1,-0.1 -6,-0.1 -0.409 65.9-103.4 -67.5 133.7 33.2 58.1 22.3 24 24 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.285 40.5-162.6 -56.4 136.6 32.2 55.2 20.0 25 25 A K E -E 17 0C 95 -8,-1.8 -8,-2.7 -3,-0.1 2,-0.5 -0.971 17.9-127.9-124.3 141.7 33.9 51.9 20.8 26 26 A T E +E 16 0C 92 -2,-0.4 2,-0.3 -10,-0.3 -10,-0.3 -0.793 39.1 170.5 -84.1 126.9 34.4 48.8 18.7 27 27 A I E -E 15 0C 31 -12,-2.8 -12,-2.7 -2,-0.5 2,-0.5 -0.853 37.4-106.0-133.5 164.0 33.2 45.7 20.6 28 28 A E E -E 14 0C 107 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.825 41.2-172.3 -93.9 129.2 32.6 42.0 19.9 29 29 A A E -E 13 0C 3 -16,-3.1 -16,-2.2 -2,-0.5 2,-0.3 -0.961 23.9-121.5-129.8 140.2 28.9 41.1 19.8 30 30 A L E -Eg 12 100C 18 69,-2.7 71,-3.4 -2,-0.4 2,-0.7 -0.592 25.0-132.1 -70.9 132.1 26.9 37.9 19.6 31 31 A L E - g 0 101C 0 -20,-3.0 2,-0.5 -2,-0.3 71,-0.2 -0.823 34.2-178.2 -89.5 117.7 24.6 37.6 16.7 32 32 A D > - 0 0 0 69,-3.0 3,-1.0 -2,-0.7 71,-0.2 -0.905 31.1-179.7-133.3 104.8 21.3 36.5 18.1 33 33 A T T 3 S+ 0 0 0 -2,-0.5 115,-0.1 1,-0.2 -1,-0.1 0.693 88.8 62.5 -72.8 -16.8 18.1 35.7 16.3 34 34 A G T 3 S+ 0 0 12 93,-0.1 2,-0.5 113,-0.1 -1,-0.2 0.538 85.4 90.9 -85.7 -7.9 16.4 34.8 19.7 35 35 A A < - 0 0 11 -3,-1.0 68,-2.8 66,-0.2 69,-0.3 -0.813 55.6-166.6 -91.7 120.4 16.9 38.4 21.0 36 36 A D S S+ 0 0 65 -2,-0.5 68,-0.5 66,-0.2 2,-0.3 0.838 79.5 29.2 -67.2 -33.5 14.0 40.9 20.4 37 37 A M S S- 0 0 55 66,-0.1 -1,-0.1 67,-0.1 53,-0.1 -0.965 88.0-106.2-137.5 140.3 16.3 43.9 21.4 38 38 A T - 0 0 0 -2,-0.3 53,-3.2 51,-0.3 2,-0.4 -0.374 27.9-144.3 -65.6 144.5 20.0 44.6 21.2 39 39 A V E -hI 91 100C 8 61,-2.3 61,-2.0 51,-0.2 53,-0.2 -0.967 14.2-171.8-114.7 127.3 22.1 44.5 24.5 40 40 A I E -h 92 0C 5 51,-2.3 53,-2.7 -2,-0.4 59,-0.2 -0.954 29.9-110.2-117.8 136.7 25.1 47.0 25.0 41 41 A P E > -h 93 0C 4 0, 0.0 3,-2.1 0, 0.0 53,-0.2 -0.436 22.4-128.2 -62.6 135.6 27.6 46.8 28.0 42 42 A I G > S+ 0 0 63 51,-2.4 3,-2.3 1,-0.3 52,-0.1 0.782 103.3 76.7 -54.2 -30.6 27.1 49.6 30.5 43 43 A A G 3 S+ 0 0 72 50,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.760 84.5 65.5 -50.4 -27.3 30.9 50.3 30.2 44 44 A L G < S+ 0 0 17 -3,-2.1 -25,-0.4 2,-0.1 -1,-0.3 0.536 93.8 72.7 -77.9 -6.2 30.1 52.0 26.8 45 45 A F S < S- 0 0 18 -3,-2.3 2,-0.1 -4,-0.1 -23,-0.1 -0.743 91.6-100.8-107.7 153.2 28.1 54.8 28.5 46 46 A S > - 0 0 44 -2,-0.3 3,-1.6 1,-0.1 -24,-0.1 -0.466 40.1-110.7 -68.9 149.1 29.3 57.8 30.6 47 47 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.752 111.0 45.0 -54.7 -34.4 28.9 57.3 34.3 48 48 A N T 3 S+ 0 0 154 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.457 78.8 129.3 -94.5 0.8 26.1 59.8 34.9 49 49 A T < - 0 0 38 -3,-1.6 2,-0.2 1,-0.1 -4,-0.0 -0.304 61.7-112.2 -68.8 137.5 23.7 59.1 31.9 50 50 A P + 0 0 93 0, 0.0 21,-0.5 0, 0.0 2,-0.3 -0.439 40.0 176.3 -66.3 130.3 20.0 58.6 32.7 51 51 A L - 0 0 41 -2,-0.2 2,-0.3 19,-0.1 19,-0.2 -0.888 24.5-121.1-126.5 160.2 18.7 55.1 32.0 52 52 A K E -J 69 0C 118 17,-2.9 17,-2.2 -2,-0.3 2,-0.1 -0.820 25.1-110.1-104.1 144.9 15.3 53.6 32.7 53 53 A N E +J 68 0C 141 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.430 44.3 177.1 -62.0 142.0 14.4 50.6 34.9 54 54 A T - 0 0 31 13,-0.7 2,-0.4 10,-0.5 13,-0.3 -0.992 27.9-136.7-148.5 154.0 13.3 47.6 33.0 55 55 A S - 0 0 46 -2,-0.3 2,-0.4 10,-0.1 9,-0.2 -0.960 23.1-167.5-111.6 134.2 12.2 43.9 33.5 56 56 A V E -M 63 0D 23 7,-2.7 7,-2.8 -2,-0.4 2,-0.5 -0.974 14.2-147.9-126.8 129.2 13.6 41.2 31.2 57 57 A L E +M 62 0D 103 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.858 34.8 152.9 -92.0 124.5 12.5 37.6 30.8 58 58 A G E > -M 61 0D 10 3,-2.1 3,-1.9 -2,-0.5 117,-0.1 -0.826 59.6 -79.0-139.5 178.5 15.4 35.3 29.9 59 59 A A T 3 S+ 0 0 8 176,-0.5 3,-0.1 1,-0.3 114,-0.1 0.777 125.4 50.6 -54.5 -34.6 16.4 31.6 30.2 60 60 A G T 3 S- 0 0 14 1,-0.3 2,-0.3 175,-0.1 -1,-0.3 0.474 122.8 -86.1 -84.0 2.8 17.4 31.9 33.9 61 61 A G E < -M 58 0D 15 -3,-1.9 -3,-2.1 117,-0.1 2,-0.5 -0.833 63.8 -38.3 123.7-170.6 14.2 33.7 35.0 62 62 A Q E -M 57 0D 104 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.844 52.8-162.0 -98.9 122.8 12.9 37.2 35.2 63 63 A T E +M 56 0D 14 -7,-2.8 -7,-2.7 -2,-0.5 4,-0.1 -0.920 17.9 179.1-112.6 134.6 15.3 39.9 36.1 64 64 A Q S S+ 0 0 129 -2,-0.5 -10,-0.5 -9,-0.2 -1,-0.1 0.575 84.5 28.9 -98.7 -16.2 14.3 43.4 37.4 65 65 A D S S+ 0 0 107 -12,-0.1 29,-0.1 -9,-0.1 -10,-0.1 0.546 95.7 78.9-130.6 -13.2 17.8 44.8 37.9 66 66 A H S S+ 0 0 14 -10,-0.1 28,-1.9 110,-0.1 29,-0.5 0.867 97.5 41.7 -69.9 -38.4 20.3 43.3 35.5 67 67 A F E - K 0 93C 6 -13,-0.3 -13,-0.7 26,-0.2 2,-0.3 -0.838 61.1-169.0-116.6 147.9 19.3 45.4 32.5 68 68 A K E -JK 53 92C 66 24,-1.8 24,-2.2 -2,-0.3 2,-0.4 -0.777 23.0-121.4-116.1 170.7 18.3 49.0 31.9 69 69 A L E -JK 52 91C 36 -17,-2.2 -17,-2.9 -2,-0.3 22,-0.2 -0.902 30.9-115.9-108.3 144.0 16.8 50.8 28.9 70 70 A T - 0 0 5 20,-1.5 -19,-0.1 -2,-0.4 4,-0.1 -0.305 7.9-151.1 -72.1 159.4 18.6 53.7 27.2 71 71 A S S S+ 0 0 50 -21,-0.5 -1,-0.1 2,-0.1 -20,-0.1 0.690 81.5 45.1 -98.6 -29.1 17.4 57.3 27.0 72 72 A L S S- 0 0 85 -53,-0.2 -2,-0.1 1,-0.1 -51,-0.1 -0.778 96.2 -93.0-111.6 155.6 19.0 58.2 23.7 73 73 A P - 0 0 46 0, 0.0 2,-0.4 0, 0.0 15,-0.2 -0.287 36.4-135.9 -59.8 155.6 19.2 56.3 20.4 74 74 A V E - L 0 87C 0 13,-2.2 13,-3.3 -4,-0.1 2,-0.4 -0.951 10.3-150.8-113.7 135.2 22.3 54.0 19.8 75 75 A L E -FL 18 86C 29 -57,-2.6 -57,-3.7 -2,-0.4 2,-0.4 -0.905 12.1-170.3-106.8 137.2 24.1 54.0 16.5 76 76 A I E -FL 17 85C 1 9,-2.2 9,-3.0 -2,-0.4 2,-0.5 -0.995 6.7-163.2-130.0 126.9 25.9 50.8 15.4 77 77 A R E -F 16 0C 87 -61,-2.7 -61,-3.0 -2,-0.4 5,-0.1 -0.964 9.1-153.9-111.6 129.4 28.3 50.5 12.4 78 78 A L > - 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