==== 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 3LIT . 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) . 11364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 62.7 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 . 0 0.0 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 . 32 13.7 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 . 8 3.4 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 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 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 74 0, 0.0 231,-2.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 158.3 29.3 37.7 4.9 2 2 A V E -A 231 0A 89 229,-0.2 229,-0.2 227,-0.0 227,-0.0 -0.873 360.0-154.8 -83.2 123.6 27.8 34.3 5.1 3 3 A I E -A 230 0A 26 227,-3.9 227,-2.3 -2,-0.6 0, 0.0 -0.905 6.5-140.6-108.1 109.9 28.2 33.3 8.8 4 4 A P E -A 229 0A 102 0, 0.0 2,-0.5 0, 0.0 225,-0.2 -0.149 13.7-129.5 -63.2 160.5 28.3 29.5 9.6 5 5 A L + 0 0 8 223,-0.6 222,-0.1 218,-0.1 223,-0.1 -0.976 33.4 162.1-123.4 125.6 26.6 28.2 12.6 6 6 A D B > -D 9 0B 38 3,-0.6 3,-1.2 -2,-0.5 215,-0.2 -0.995 38.2-139.3-147.4 123.1 28.4 25.8 15.1 7 7 A P T 3 S+ 0 0 40 0, 0.0 214,-0.1 0, 0.0 213,-0.1 0.820 106.4 52.1 -53.9 -32.2 27.3 25.0 18.7 8 8 A A T 3 S+ 0 0 81 1,-0.2 2,-0.5 212,-0.1 145,-0.1 0.617 108.1 54.4 -82.3 -16.6 31.1 25.2 19.7 9 9 A R B < S-D 6 0B 179 -3,-1.2 -3,-0.6 144,-0.1 -1,-0.2 -0.927 80.5-132.8-129.7 111.5 31.7 28.6 18.2 10 10 A R - 0 0 115 -2,-0.5 2,-0.6 1,-0.1 141,-0.1 -0.396 26.1-118.8 -59.9 123.3 29.7 31.7 19.0 11 11 A P + 0 0 6 0, 0.0 20,-2.6 0, 0.0 2,-0.3 -0.508 50.0 176.7 -63.4 104.1 28.6 33.7 15.9 12 12 A V E -E 30 0C 66 -2,-0.6 2,-0.3 18,-0.2 18,-0.2 -0.862 21.4-173.1-120.3 150.7 30.4 37.1 16.6 13 13 A I E -E 29 0C 20 16,-2.4 16,-3.1 -2,-0.3 2,-0.5 -0.983 27.3-121.3-134.1 148.7 30.9 40.4 14.8 14 14 A K E -E 28 0C 117 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.809 39.1-179.2 -83.6 129.9 33.0 43.6 15.6 15 15 A A E -E 27 0C 2 12,-2.7 12,-3.2 -2,-0.5 2,-0.7 -0.990 29.0-135.8-133.3 140.1 30.7 46.6 15.9 16 16 A Q E -EF 26 77C 70 61,-2.8 61,-2.7 -2,-0.4 2,-0.5 -0.890 28.1-163.4 -93.3 111.9 31.3 50.3 16.5 17 17 A V E -EF 25 76C 6 8,-3.0 8,-1.8 -2,-0.7 2,-0.5 -0.861 11.4-169.3-103.4 126.6 28.7 51.4 19.1 18 18 A D E + F 0 75C 29 57,-3.3 57,-3.3 -2,-0.5 5,-0.1 -0.947 7.7 179.7-117.1 108.8 28.0 55.1 19.7 19 19 A T - 0 0 4 -2,-0.5 53,-0.2 25,-0.4 -1,-0.1 0.454 42.0-126.9 -80.6 -7.1 25.7 55.6 22.8 20 20 A Q S S+ 0 0 95 2,-0.4 3,-0.1 55,-0.1 25,-0.1 0.589 97.2 83.3 64.0 14.9 25.8 59.4 22.2 21 21 A T S S- 0 0 33 23,-0.2 2,-0.2 1,-0.1 28,-0.1 0.479 103.4 -2.4-118.8 -13.6 27.0 59.8 25.8 22 22 A S S S- 0 0 45 22,-0.1 -2,-0.4 24,-0.1 -1,-0.1 -0.823 101.4 -45.8-155.0-165.6 30.8 59.2 25.2 23 23 A H - 0 0 153 -2,-0.2 -4,-0.1 1,-0.1 -6,-0.1 -0.559 64.9-102.1 -76.4 138.4 33.2 58.3 22.4 24 24 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.316 40.8-161.9 -59.0 138.5 32.2 55.4 20.0 25 25 A K E -E 17 0C 92 -8,-1.8 -8,-3.0 -3,-0.1 2,-0.5 -0.967 17.8-128.2-124.9 143.3 34.0 52.1 20.8 26 26 A T E +E 16 0C 92 -2,-0.4 2,-0.3 -10,-0.3 -10,-0.3 -0.794 38.9 172.7 -84.9 124.8 34.5 49.0 18.7 27 27 A I E -E 15 0C 31 -12,-3.2 -12,-2.7 -2,-0.5 2,-0.5 -0.929 37.5-108.3-132.8 155.5 33.3 45.8 20.6 28 28 A E E -E 14 0C 116 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.719 43.4-173.4 -79.2 124.2 32.8 42.1 20.0 29 29 A A E -E 13 0C 5 -16,-3.1 -16,-2.4 -2,-0.5 71,-0.3 -0.961 24.5-118.7-125.0 143.8 29.1 41.3 19.9 30 30 A L E -Eg 12 100C 18 69,-2.8 71,-4.1 -2,-0.4 2,-0.7 -0.564 23.6-133.2 -68.4 134.1 27.0 38.1 19.7 31 31 A L E + g 0 101C 1 -20,-2.6 2,-0.5 -2,-0.3 71,-0.2 -0.859 34.5 179.6 -91.6 114.9 24.7 37.8 16.7 32 32 A D > + 0 0 0 69,-2.9 3,-1.1 -2,-0.7 71,-0.2 -0.894 30.8 178.4-135.9 104.1 21.4 36.7 18.1 33 33 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.2 115,-0.1 0.665 88.4 62.6 -76.2 -16.8 18.2 36.0 16.2 34 34 A G T 3 S+ 0 0 11 113,-0.1 2,-0.6 93,-0.1 -1,-0.2 0.537 85.3 92.7 -83.1 -7.6 16.5 35.0 19.5 35 35 A A < - 0 0 11 -3,-1.1 68,-2.7 66,-0.2 69,-0.3 -0.815 55.9-165.8 -92.5 117.2 17.0 38.6 20.9 36 36 A D S S+ 0 0 71 -2,-0.6 68,-0.6 66,-0.2 2,-0.4 0.877 79.7 26.3 -62.2 -40.3 14.1 41.1 20.4 37 37 A M S S- 0 0 56 66,-0.1 -1,-0.1 67,-0.1 53,-0.1 -0.958 88.1-106.4-132.3 144.2 16.4 44.0 21.3 38 38 A T - 0 0 3 -2,-0.4 53,-2.8 51,-0.2 2,-0.4 -0.294 29.2-145.2 -64.0 150.5 20.1 44.7 21.2 39 39 A V E -hI 91 100C 10 61,-2.1 61,-2.5 51,-0.2 53,-0.2 -0.996 13.7-170.6-127.5 125.9 22.1 44.7 24.5 40 40 A I E -h 92 0C 4 51,-2.1 53,-2.0 -2,-0.4 59,-0.2 -0.936 29.7-108.0-117.1 139.7 25.1 47.1 25.0 41 41 A P E > -h 93 0C 5 0, 0.0 3,-2.3 0, 0.0 53,-0.2 -0.444 22.9-128.1 -65.7 136.2 27.6 47.0 28.0 42 42 A I G > S+ 0 0 61 51,-2.4 3,-2.4 1,-0.3 52,-0.1 0.795 102.2 76.9 -55.3 -31.1 27.2 49.8 30.5 43 43 A A G 3 S+ 0 0 70 1,-0.3 -1,-0.3 50,-0.3 4,-0.1 0.660 84.7 64.7 -52.0 -19.3 30.9 50.5 30.2 44 44 A L G < S+ 0 0 17 -3,-2.3 -25,-0.4 2,-0.1 2,-0.3 0.507 95.0 71.6 -85.0 -2.8 30.2 52.3 26.9 45 45 A F S < S- 0 0 18 -3,-2.4 2,-0.2 -4,-0.1 -23,-0.1 -0.782 91.2-101.4-111.9 154.5 28.1 55.0 28.6 46 46 A S > - 0 0 42 -2,-0.3 3,-0.9 1,-0.1 -2,-0.1 -0.520 34.7-113.7 -74.4 144.4 29.2 57.9 30.8 47 47 A S T 3 S+ 0 0 129 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.736 110.6 46.3 -46.8 -34.2 28.7 57.5 34.6 48 48 A N T 3 S+ 0 0 153 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.800 78.4 117.3 -85.1 -30.9 26.1 60.2 34.8 49 49 A T < - 0 0 38 -3,-0.9 2,-0.2 1,-0.1 -28,-0.0 0.015 68.6-110.2 -52.5 141.3 23.6 59.6 31.9 50 50 A P - 0 0 96 0, 0.0 21,-0.4 0, 0.0 2,-0.3 -0.508 37.4-177.6 -71.5 133.9 20.0 58.8 32.7 51 51 A L - 0 0 46 -2,-0.2 2,-0.4 19,-0.1 19,-0.2 -0.878 22.7-119.1-122.4 159.2 18.9 55.2 32.1 52 52 A K E -J 69 0C 119 17,-3.3 17,-2.3 -2,-0.3 2,-0.1 -0.825 24.3-112.9-101.2 140.7 15.4 53.7 32.6 53 53 A N E +J 68 0C 138 -2,-0.4 2,-0.3 15,-0.2 15,-0.1 -0.384 43.4 175.8 -62.5 144.5 14.4 50.9 34.9 54 54 A T - 0 0 31 13,-0.6 2,-0.4 10,-0.5 13,-0.3 -0.994 29.2-134.9-153.5 153.7 13.3 47.7 33.1 55 55 A S - 0 0 49 -2,-0.3 2,-0.4 11,-0.1 9,-0.2 -0.963 24.0-169.3-114.4 130.9 12.2 44.1 33.7 56 56 A V E -M 63 0D 23 7,-2.9 7,-2.9 -2,-0.4 2,-0.5 -0.949 12.5-157.0-127.5 128.8 13.6 41.3 31.4 57 57 A L E +M 62 0D 97 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.931 33.1 142.0-104.9 125.1 12.6 37.7 31.1 58 58 A G E > -M 61 0D 12 3,-2.1 3,-1.8 -2,-0.5 117,-0.1 -0.775 65.2 -65.2-145.0-173.0 15.3 35.3 29.7 59 59 A A T 3 S+ 0 0 8 176,-0.5 3,-0.1 1,-0.3 124,-0.1 0.794 126.2 52.0 -55.1 -37.5 16.6 31.7 30.2 60 60 A G T 3 S- 0 0 11 1,-0.2 2,-0.3 175,-0.1 -1,-0.3 0.519 120.8 -89.5 -79.3 0.0 17.8 32.3 33.8 61 61 A G E < -M 58 0D 15 -3,-1.8 -3,-2.1 117,-0.1 2,-0.4 -0.885 62.2 -40.3 123.8-163.2 14.5 33.7 35.1 62 62 A Q E -M 57 0D 107 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.885 52.1-166.5-108.0 133.0 13.1 37.3 35.4 63 63 A T E +M 56 0D 21 -7,-2.9 -7,-2.9 -2,-0.4 4,-0.2 -0.979 24.9 175.5-129.0 131.5 15.3 40.2 36.4 64 64 A Q S S+ 0 0 121 -2,-0.4 -10,-0.5 -9,-0.2 -1,-0.1 0.502 87.8 42.2 -92.2 -10.8 14.3 43.7 37.4 65 65 A D S S+ 0 0 129 -9,-0.1 29,-0.1 -12,-0.1 -10,-0.1 0.728 94.8 65.9-114.9 -36.7 17.9 44.7 38.1 66 66 A H S S+ 0 0 22 -10,-0.1 28,-2.3 110,-0.1 29,-0.5 0.834 99.4 43.0 -76.4 -38.7 20.4 43.4 35.5 67 67 A F E - K 0 93C 4 -13,-0.3 -13,-0.6 26,-0.2 2,-0.2 -0.844 59.8-171.6-110.8 148.1 19.3 45.5 32.5 68 68 A K E -JK 53 92C 57 24,-2.2 24,-1.9 -2,-0.3 2,-0.4 -0.707 24.2-117.3-114.0-178.1 18.4 49.1 32.0 69 69 A L E -JK 52 91C 33 -17,-2.3 -17,-3.3 -2,-0.2 22,-0.2 -0.940 28.6-117.7-119.2 140.8 16.9 50.9 29.0 70 70 A T - 0 0 5 20,-1.7 -19,-0.1 -2,-0.4 4,-0.1 -0.265 7.1-151.2 -71.9 162.0 18.7 53.8 27.2 71 71 A S S S+ 0 0 52 -21,-0.4 -1,-0.1 2,-0.1 -20,-0.1 0.553 80.7 48.6-104.7 -19.8 17.4 57.4 27.0 72 72 A L S S- 0 0 80 -53,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.886 94.8 -95.5-115.7 153.4 19.0 58.3 23.7 73 73 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 15,-0.2 -0.202 37.7-135.7 -54.7 156.9 19.2 56.4 20.4 74 74 A V E - L 0 87C 0 13,-2.5 13,-2.8 -4,-0.1 2,-0.4 -0.952 8.9-146.9-120.0 137.9 22.3 54.3 19.8 75 75 A L E -FL 18 86C 31 -57,-3.3 -57,-3.3 -2,-0.4 2,-0.4 -0.904 13.9-168.3-110.5 133.5 24.3 54.3 16.5 76 76 A I E -FL 17 85C 2 9,-2.3 9,-2.9 -2,-0.4 2,-0.5 -0.982 6.6-164.7-127.3 125.6 26.0 51.0 15.3 77 77 A R E -F 16 0C 87 -61,-2.7 -61,-2.8 -2,-0.4 5,-0.1 -0.934 6.6-160.1-110.6 123.6 28.5 50.7 12.5 78 78 A L > - 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