==== 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 3LIV . 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) . 11228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 63.5 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 . 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 . 35 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.0 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 73 0, 0.0 231,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 178.9 28.5 37.4 4.6 2 2 A V E -A 231 0A 90 229,-0.2 229,-0.2 227,-0.0 227,-0.0 -0.867 360.0-164.2 -92.5 116.8 27.5 33.7 5.1 3 3 A I E -A 230 0A 27 227,-3.6 227,-2.3 -2,-0.7 0, 0.0 -0.892 11.5-142.7-107.3 105.6 27.9 32.8 8.8 4 4 A P E -A 229 0A 98 0, 0.0 2,-0.4 0, 0.0 225,-0.2 -0.176 15.3-126.1 -63.7 158.9 27.9 29.1 9.4 5 5 A L + 0 0 8 223,-0.9 222,-0.1 218,-0.1 223,-0.1 -0.944 36.5 160.7-117.6 133.1 26.2 27.8 12.5 6 6 A D B > -D 9 0B 40 3,-0.5 3,-1.0 -2,-0.4 215,-0.2 -0.977 39.5-136.4-156.6 124.6 28.1 25.5 14.9 7 7 A P T 3 S+ 0 0 40 0, 0.0 214,-0.1 0, 0.0 213,-0.1 0.740 104.2 51.8 -66.2 -20.8 27.3 24.8 18.6 8 8 A A T 3 S+ 0 0 92 1,-0.2 2,-0.5 212,-0.1 145,-0.0 0.626 106.1 56.2 -90.7 -14.9 30.9 25.1 19.7 9 9 A R B < S-D 6 0B 192 -3,-1.0 -3,-0.5 144,-0.1 -1,-0.2 -0.948 81.0-139.7-119.8 107.8 31.6 28.6 18.0 10 10 A R - 0 0 118 -2,-0.5 2,-0.9 1,-0.1 141,-0.1 -0.392 29.7-111.7 -57.9 134.4 29.3 31.4 19.1 11 11 A P + 0 0 7 0, 0.0 20,-3.4 0, 0.0 2,-0.3 -0.627 51.2 173.2 -79.0 108.8 28.5 33.5 16.0 12 12 A V E -E 30 0C 58 -2,-0.9 2,-0.3 18,-0.2 18,-0.2 -0.759 21.7-173.5-120.7 163.6 30.2 36.8 16.5 13 13 A I E -E 29 0C 15 16,-2.0 16,-3.1 -2,-0.3 2,-0.6 -0.977 30.7-115.7-146.7 150.0 30.8 40.1 14.7 14 14 A K E -E 28 0C 105 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.813 40.2-175.8 -90.6 127.5 32.9 43.2 15.5 15 15 A A E -E 27 0C 1 12,-3.5 12,-3.1 -2,-0.6 2,-0.7 -0.972 25.9-137.6-128.9 140.3 30.6 46.1 15.8 16 16 A Q E -EF 26 77C 71 61,-2.7 61,-2.6 -2,-0.4 2,-0.6 -0.871 27.3-161.0 -96.4 113.0 31.3 49.8 16.4 17 17 A V E -EF 25 76C 4 8,-3.3 8,-1.7 -2,-0.7 2,-0.7 -0.858 12.7-167.9-107.0 120.1 28.7 51.0 18.9 18 18 A D E + F 0 75C 33 57,-4.0 57,-2.9 -2,-0.6 5,-0.1 -0.895 8.6 177.0-104.9 100.5 27.9 54.8 19.4 19 19 A T - 0 0 1 -2,-0.7 53,-0.2 25,-0.4 -1,-0.1 0.622 41.5-129.4 -70.6 -15.5 25.8 55.3 22.6 20 20 A Q S S+ 0 0 91 2,-0.5 3,-0.1 55,-0.1 25,-0.1 0.673 95.0 87.2 64.1 22.1 25.9 59.0 22.0 21 21 A T S S- 0 0 27 1,-0.4 2,-0.3 23,-0.3 27,-0.1 0.451 101.6 -9.4-123.5 -8.2 27.0 59.4 25.6 22 22 A S S S- 0 0 50 22,-0.2 -2,-0.5 23,-0.1 -1,-0.4 -0.950 102.4 -38.1-172.3 175.9 30.8 59.0 24.9 23 23 A H - 0 0 143 -2,-0.3 -4,-0.2 -3,-0.1 -2,-0.1 -0.126 69.2-106.1 -45.6 134.7 33.4 58.0 22.1 24 24 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.289 40.6-159.6 -56.2 149.0 32.1 55.2 19.9 25 25 A K E -E 17 0C 93 -8,-1.7 -8,-3.3 -3,-0.1 2,-0.5 -0.995 17.5-127.0-136.6 143.5 33.8 51.8 20.5 26 26 A T E +E 16 0C 90 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.3 -0.776 38.1 171.0 -85.3 129.0 34.3 48.6 18.5 27 27 A I E -E 15 0C 30 -12,-3.1 -12,-3.5 -2,-0.5 2,-0.5 -0.907 37.9-107.6-133.2 160.5 33.2 45.5 20.5 28 28 A E E -E 14 0C 109 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.776 43.2-172.8 -86.1 128.2 32.7 41.8 19.8 29 29 A A E -E 13 0C 3 -16,-3.1 -16,-2.0 -2,-0.5 2,-0.3 -0.971 23.4-120.5-131.8 144.3 29.0 41.0 19.7 30 30 A L E -Eg 12 100C 17 69,-3.0 71,-3.3 -2,-0.4 2,-0.7 -0.598 23.6-131.3 -76.9 135.8 26.9 37.8 19.5 31 31 A L E - g 0 101C 0 -20,-3.4 2,-0.6 -2,-0.3 71,-0.2 -0.792 33.9-177.4 -91.2 115.3 24.6 37.4 16.5 32 32 A D > + 0 0 0 69,-2.8 3,-1.7 -2,-0.7 71,-0.3 -0.812 31.2 178.0-134.0 94.3 21.3 36.4 18.0 33 33 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 115,-0.1 0.640 89.4 61.0 -64.1 -12.7 18.1 35.5 16.2 34 34 A G T 3 S+ 0 0 12 93,-0.1 2,-0.6 113,-0.1 -1,-0.3 0.532 85.8 90.7 -92.2 -8.2 16.5 34.7 19.6 35 35 A A < - 0 0 11 -3,-1.7 68,-2.9 66,-0.2 69,-0.2 -0.837 56.6-165.3 -97.4 119.5 17.0 38.2 20.9 36 36 A D S S+ 0 0 78 -2,-0.6 68,-0.6 66,-0.2 2,-0.4 0.771 79.0 27.0 -61.0 -34.9 14.1 40.7 20.4 37 37 A M S S- 0 0 60 66,-0.1 -1,-0.2 67,-0.1 53,-0.1 -0.989 87.9-104.0-142.9 139.3 16.4 43.6 21.2 38 38 A T - 0 0 0 -2,-0.4 53,-2.2 51,-0.2 2,-0.4 -0.322 29.4-146.1 -63.2 144.7 20.1 44.4 21.1 39 39 A V E -hI 91 100C 8 61,-2.7 61,-2.1 51,-0.2 53,-0.2 -0.981 14.6-174.3-114.8 127.1 22.1 44.3 24.4 40 40 A I E -h 92 0C 3 51,-2.3 53,-2.2 -2,-0.4 59,-0.2 -0.962 30.0-110.9-119.8 136.7 25.0 46.8 24.9 41 41 A P E > -h 93 0C 7 0, 0.0 3,-2.1 0, 0.0 53,-0.2 -0.417 22.1-123.9 -68.9 140.7 27.4 46.6 28.0 42 42 A I G > S+ 0 0 67 51,-2.7 3,-2.0 1,-0.3 52,-0.1 0.747 103.1 79.0 -55.0 -26.0 27.1 49.5 30.4 43 43 A A G 3 S+ 0 0 70 1,-0.3 -1,-0.3 50,-0.3 4,-0.1 0.746 83.7 64.1 -54.4 -24.6 30.9 50.2 30.0 44 44 A L G < S+ 0 0 13 -3,-2.1 -25,-0.4 2,-0.1 -23,-0.3 0.304 95.6 73.1 -85.7 11.2 30.1 52.0 26.7 45 45 A F S < S- 0 0 20 -3,-2.0 2,-0.2 -24,-0.1 -23,-0.1 -0.847 87.9-105.4-120.4 154.9 28.1 54.7 28.4 46 46 A S > - 0 0 40 -2,-0.3 3,-1.1 1,-0.1 -24,-0.1 -0.514 29.0-121.0 -72.1 148.8 29.1 57.7 30.6 47 47 A S T 3 S+ 0 0 132 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.0 0.747 110.4 64.8 -59.6 -24.2 28.5 57.3 34.4 48 48 A N T 3 S+ 0 0 150 -27,-0.1 -1,-0.2 2,-0.1 -27,-0.0 0.760 77.9 111.3 -64.7 -32.4 26.3 60.4 34.0 49 49 A T < - 0 0 37 -3,-1.1 2,-0.2 1,-0.1 -28,-0.0 -0.243 65.9-122.7 -76.7 135.0 23.6 59.1 31.7 50 50 A P - 0 0 93 0, 0.0 21,-0.4 0, 0.0 2,-0.3 -0.468 32.5-179.0 -62.0 124.8 19.9 58.5 32.5 51 51 A L - 0 0 44 -2,-0.2 2,-0.4 19,-0.1 19,-0.2 -0.952 22.9-123.2-125.6 149.5 18.8 54.8 31.9 52 52 A K E -J 69 0C 125 17,-3.2 17,-3.7 -2,-0.3 2,-0.1 -0.777 23.8-114.7 -97.0 134.7 15.3 53.4 32.4 53 53 A N E +J 68 0C 130 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.367 41.6 176.3 -58.3 140.7 14.5 50.4 34.7 54 54 A T - 0 0 32 13,-0.9 2,-0.5 10,-0.6 13,-0.4 -0.993 28.3-131.7-150.2 150.3 13.3 47.3 32.8 55 55 A S - 0 0 52 -2,-0.3 2,-0.4 11,-0.1 9,-0.2 -0.899 25.2-165.8-105.2 134.5 12.3 43.8 33.5 56 56 A V E -M 63 0D 22 7,-2.2 7,-1.9 -2,-0.5 2,-0.5 -0.984 11.6-156.2-127.3 127.4 13.7 41.0 31.3 57 57 A L E +M 62 0D 93 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.892 32.2 146.5 -97.9 123.6 12.7 37.3 30.9 58 58 A G E > -M 61 0D 11 3,-1.9 3,-3.2 -2,-0.5 117,-0.1 -0.931 65.2 -70.0-148.4 171.8 15.5 35.0 29.7 59 59 A A T 3 S+ 0 0 9 176,-0.3 3,-0.1 1,-0.3 124,-0.1 0.752 128.7 54.9 -35.7 -41.1 16.6 31.4 30.1 60 60 A G T 3 S- 0 0 12 1,-0.2 -1,-0.3 175,-0.2 2,-0.2 0.381 117.6-103.8 -78.7 9.4 17.8 32.1 33.7 61 61 A G E < -M 58 0D 13 -3,-3.2 -3,-1.9 117,-0.1 2,-0.3 -0.667 61.3 -23.8 100.2-162.3 14.4 33.5 34.8 62 62 A Q E -M 57 0D 109 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.663 51.6-170.4 -94.3 140.5 13.1 37.0 35.5 63 63 A T E +M 56 0D 15 -7,-1.9 -7,-2.2 -2,-0.3 4,-0.3 -0.960 17.0 177.0-136.2 121.7 15.3 40.0 36.3 64 64 A Q S S+ 0 0 120 -2,-0.4 -10,-0.6 -9,-0.2 -1,-0.1 0.768 87.1 29.0 -80.2 -29.1 14.3 43.5 37.5 65 65 A D S S+ 0 0 117 -12,-0.1 -1,-0.1 1,-0.1 29,-0.1 0.538 98.2 77.1-119.0 -14.3 17.7 45.0 38.0 66 66 A H S S+ 0 0 26 -10,-0.1 28,-2.0 -12,-0.1 29,-0.4 0.832 96.2 41.9 -76.7 -34.3 20.2 43.3 35.6 67 67 A F E - K 0 93C 3 -13,-0.4 -13,-0.9 -4,-0.3 2,-0.3 -0.866 63.8-165.1-114.6 148.5 19.2 45.2 32.4 68 68 A K E -JK 53 92C 46 24,-2.0 24,-2.8 -2,-0.3 2,-0.3 -0.903 21.1-123.8-122.3 158.5 18.3 48.9 31.8 69 69 A L E -JK 52 91C 41 -17,-3.7 -17,-3.2 -2,-0.3 22,-0.2 -0.802 33.0-116.0 -97.7 141.9 16.6 50.5 28.8 70 70 A T - 0 0 4 20,-1.8 -19,-0.1 -2,-0.3 4,-0.1 -0.342 10.2-152.0 -74.1 161.5 18.6 53.4 27.0 71 71 A S S S+ 0 0 54 -21,-0.4 -1,-0.1 1,-0.1 -20,-0.1 0.743 80.2 45.0-100.4 -34.0 17.5 57.0 26.8 72 72 A L S S- 0 0 83 -53,-0.2 -1,-0.1 1,-0.1 -51,-0.1 -0.832 96.1 -96.0-107.7 150.0 19.1 58.0 23.5 73 73 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 15,-0.2 -0.144 37.6-133.3 -53.3 158.0 19.2 56.0 20.3 74 74 A V E - L 0 87C 0 13,-2.2 13,-2.8 -4,-0.1 2,-0.5 -0.970 10.2-147.3-118.5 135.6 22.3 53.9 19.7 75 75 A L E -FL 18 86C 32 -57,-2.9 -57,-4.0 -2,-0.4 2,-0.4 -0.916 14.9-170.4-104.1 130.6 24.2 53.9 16.4 76 76 A I E -FL 17 85C 1 9,-2.5 9,-2.6 -2,-0.5 2,-0.5 -0.968 6.3-164.8-123.5 123.1 25.9 50.7 15.3 77 77 A R E -F 16 0C 91 -61,-2.6 -61,-2.7 -2,-0.4 5,-0.1 -0.932 9.1-152.4-110.0 127.6 28.3 50.3 12.3 78 78 A L - 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