==== 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 3LIN . 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 . 1398 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 871 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 432 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 . 30 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 187 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 12 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 12 12 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 . 24 12 66 0 0 12 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 . 12 0 6 0 0 0 0 12 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 75 0, 0.0 231,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 169.5 22.3 -2.7 74.7 2 2 A V E -A 231 0A 85 229,-0.2 229,-0.2 227,-0.0 227,-0.0 -0.799 360.0-157.9 -90.4 124.6 25.9 -1.4 74.1 3 3 A I E -A 230 0A 29 227,-4.2 227,-2.7 -2,-0.5 2,-0.0 -0.932 10.5-140.4-111.4 112.5 27.1 -1.8 70.5 4 4 A P E -A 229 0A 92 0, 0.0 2,-0.5 0, 0.0 225,-0.2 -0.329 17.7-125.2 -68.3 153.0 30.8 -1.9 70.1 5 5 A L + 0 0 7 223,-1.1 223,-0.1 218,-0.1 222,-0.1 -0.935 37.2 165.6-112.2 122.8 32.1 -0.1 67.0 6 6 A D B > -D 9 0B 37 3,-0.7 3,-1.4 -2,-0.5 215,-0.2 -0.991 36.5-143.9-141.9 119.8 34.3 -2.1 64.7 7 7 A P T 3 S+ 0 0 39 0, 0.0 214,-0.1 0, 0.0 213,-0.1 0.855 104.6 49.4 -55.8 -35.1 35.4 -1.3 61.1 8 8 A A T 3 S+ 0 0 68 1,-0.2 2,-0.4 212,-0.1 145,-0.1 0.531 110.4 54.1 -81.2 -10.1 35.2 -5.0 60.2 9 9 A R B < S-D 6 0B 168 -3,-1.4 -3,-0.7 144,-0.1 -1,-0.2 -0.928 78.7-139.6-134.5 112.2 31.8 -5.6 61.7 10 10 A R - 0 0 107 -2,-0.4 2,-0.7 1,-0.1 141,-0.1 -0.428 26.1-119.8 -69.0 131.8 28.8 -3.4 60.7 11 11 A P + 0 0 6 0, 0.0 20,-2.6 0, 0.0 2,-0.3 -0.672 48.6 169.3 -78.2 117.3 26.6 -2.6 63.7 12 12 A V E -E 30 0C 55 -2,-0.7 2,-0.3 18,-0.2 18,-0.2 -0.835 21.6-164.8-130.5 163.7 23.2 -4.0 62.9 13 13 A I E -E 29 0C 19 16,-2.2 16,-3.7 -2,-0.3 2,-0.5 -0.988 26.1-118.2-144.9 147.4 20.0 -4.7 64.6 14 14 A K E -E 28 0C 121 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.797 39.9-177.0 -81.8 130.9 16.9 -6.8 63.8 15 15 A A E -E 27 0C 1 12,-3.0 12,-2.6 -2,-0.5 2,-0.7 -0.993 27.0-137.4-135.0 130.9 13.9 -4.5 63.5 16 16 A Q E -EF 26 77C 71 61,-2.6 61,-3.0 -2,-0.4 2,-0.5 -0.782 29.3-167.2 -87.1 119.5 10.3 -5.2 63.0 17 17 A V E -EF 25 76C 3 8,-3.4 8,-2.1 -2,-0.7 2,-0.6 -0.896 14.8-169.6-113.2 126.3 9.0 -2.6 60.5 18 18 A D E - F 0 75C 20 57,-3.2 57,-2.5 -2,-0.5 5,-0.1 -0.926 5.9-177.9-115.4 108.7 5.4 -2.0 59.7 19 19 A T - 0 0 3 -2,-0.6 53,-0.2 25,-0.3 -1,-0.1 0.401 43.6-124.5 -80.9 1.3 5.0 0.3 56.6 20 20 A Q S S+ 0 0 5 2,-0.4 3,-0.1 55,-0.1 25,-0.1 0.689 99.9 78.8 58.2 23.0 1.2 0.1 57.2 21 21 A T S S+ 0 0 26 1,-0.3 2,-0.3 23,-0.3 25,-0.1 0.293 101.9 18.5-129.4 3.9 0.8 -1.1 53.6 22 22 A S S S- 0 0 24 23,-0.1 -2,-0.4 24,-0.1 -1,-0.3 -0.948 101.2 -66.4-163.1 161.6 1.8 -4.7 54.2 23 23 A H - 0 0 164 -2,-0.3 -4,-0.2 1,-0.1 -6,-0.1 -0.391 68.7 -95.6 -54.5 140.8 2.1 -7.2 57.1 24 24 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.348 45.5-160.7 -62.9 141.5 5.0 -6.0 59.4 25 25 A K E -E 17 0C 87 -8,-2.1 -8,-3.4 -3,-0.1 2,-0.5 -0.975 15.4-128.9-126.7 146.5 8.3 -7.7 58.6 26 26 A T E +E 16 0C 88 -2,-0.4 2,-0.3 -10,-0.3 -10,-0.3 -0.806 35.4 172.5 -92.0 127.0 11.5 -8.1 60.6 27 27 A I E -E 15 0C 30 -12,-2.6 -12,-3.0 -2,-0.5 2,-0.6 -0.836 37.6-108.8-127.5 164.6 14.7 -7.0 58.8 28 28 A E E -E 14 0C 114 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.874 42.8-171.5 -91.0 125.2 18.3 -6.6 59.6 29 29 A A E -E 13 0C 3 -16,-3.7 -16,-2.2 -2,-0.6 2,-0.4 -0.911 23.6-121.2-121.1 147.1 19.2 -2.8 59.6 30 30 A L E -Eg 12 100C 23 69,-2.6 71,-3.0 -2,-0.4 2,-0.6 -0.647 25.0-130.6 -82.0 136.6 22.4 -0.9 59.9 31 31 A L E - g 0 101C 3 -20,-2.6 2,-0.5 -2,-0.4 71,-0.2 -0.797 33.8-178.9 -91.8 120.4 22.6 1.5 62.8 32 32 A D > + 0 0 3 69,-2.5 3,-1.9 -2,-0.6 71,-0.3 -0.848 30.6 178.9-139.5 95.2 23.7 4.7 61.4 33 33 A T T 3 S+ 0 0 0 -2,-0.5 115,-0.1 1,-0.3 -1,-0.1 0.629 89.6 63.3 -69.0 -14.4 24.4 7.9 63.3 34 34 A G T 3 S+ 0 0 11 113,-0.1 2,-0.5 93,-0.1 -1,-0.3 0.499 83.3 90.3 -87.4 -4.7 25.4 9.5 60.0 35 35 A A < - 0 0 15 -3,-1.9 68,-2.9 66,-0.2 69,-0.3 -0.822 59.4-159.7 -97.9 123.2 21.9 9.1 58.5 36 36 A D S S+ 0 0 61 -2,-0.5 68,-0.5 66,-0.2 2,-0.3 0.831 81.8 19.9 -63.6 -36.2 19.4 12.0 59.0 37 37 A M S S- 0 0 62 66,-0.1 -1,-0.2 67,-0.1 53,-0.1 -0.981 87.1 -98.7-140.7 156.0 16.6 9.6 58.3 38 38 A T - 0 0 0 -2,-0.3 53,-2.3 51,-0.2 2,-0.5 -0.307 29.8-145.4 -70.1 147.3 15.8 6.0 58.2 39 39 A V E -hI 91 100C 9 61,-2.5 61,-2.6 51,-0.2 53,-0.2 -0.983 12.2-169.7-121.1 126.5 15.8 3.9 55.0 40 40 A I E -h 92 0C 2 51,-2.4 53,-2.3 -2,-0.5 59,-0.2 -0.924 29.0-111.5-113.4 134.8 13.4 1.1 54.4 41 41 A P E > -h 93 0C 6 0, 0.0 3,-1.7 0, 0.0 53,-0.2 -0.368 22.5-126.4 -62.7 141.3 13.7 -1.3 51.4 42 42 A I G > S+ 0 0 75 51,-2.4 3,-1.7 1,-0.3 52,-0.1 0.732 102.9 76.4 -59.7 -21.8 10.9 -1.0 48.8 43 43 A A G 3 S+ 0 0 65 50,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.810 83.1 62.7 -60.4 -31.6 10.2 -4.7 49.1 44 44 A L G < S+ 0 0 15 -3,-1.7 -25,-0.3 2,-0.1 2,-0.3 0.500 94.2 78.9 -77.9 2.0 8.4 -4.2 52.5 45 45 A F S < S- 0 0 18 -3,-1.7 -23,-0.1 -4,-0.1 -25,-0.0 -0.830 89.1-105.3-109.8 144.3 5.7 -2.1 50.7 46 46 A S > - 0 0 47 -2,-0.3 3,-1.3 -25,-0.1 -24,-0.1 -0.334 38.5-105.6 -67.7 153.4 2.8 -3.4 48.7 47 47 A S T 3 S+ 0 0 124 1,-0.2 -1,-0.1 -4,-0.1 -2,-0.0 0.743 111.2 43.4 -49.7 -37.9 3.1 -2.9 44.9 48 48 A N T 3 S+ 0 0 111 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.566 77.0 132.4 -93.7 -9.4 0.6 -0.1 44.5 49 49 A T < - 0 0 28 -3,-1.3 2,-0.3 1,-0.1 345,-0.0 -0.083 59.0-115.8 -61.3 137.6 1.4 2.4 47.3 50 50 A P + 0 0 50 0, 0.0 21,-0.3 0, 0.0 2,-0.3 -0.539 39.2 175.9 -71.1 129.5 1.8 6.1 46.6 51 51 A L - 0 0 43 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.969 24.8-122.3-135.4 146.3 5.4 7.3 47.4 52 52 A K E -J 69 0C 72 17,-2.3 17,-1.7 -2,-0.3 395,-0.0 -0.694 23.2-112.0 -98.4 142.6 6.8 10.8 46.8 53 53 A N E +J 68 0C 128 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.325 44.4 175.4 -63.4 150.0 9.8 11.7 44.6 54 54 A T - 0 0 34 13,-0.7 2,-0.4 10,-0.4 13,-0.3 -0.993 30.3-125.8-160.0 153.4 12.8 12.9 46.6 55 55 A S - 0 0 50 -2,-0.3 2,-0.4 11,-0.1 9,-0.2 -0.870 26.6-171.3-106.0 133.3 16.4 14.0 46.3 56 56 A V E -M 63 0D 18 7,-3.1 7,-3.1 -2,-0.4 2,-0.6 -0.987 14.0-151.8-131.2 131.2 19.0 12.4 48.4 57 57 A L E +M 62 0D 99 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.902 28.4 159.6-100.1 118.9 22.7 13.3 48.9 58 58 A G E > -M 61 0D 8 3,-3.2 3,-0.9 -2,-0.6 117,-0.1 -0.674 57.3 -90.9-121.3-175.1 25.0 10.4 49.8 59 59 A A T 3 S+ 0 0 8 1346,-0.5 154,-0.1 1,-0.3 3,-0.1 0.856 126.5 54.4 -67.5 -31.8 28.7 9.8 49.6 60 60 A G T 3 S- 0 0 13 1,-0.3 2,-0.3 1345,-0.2 -1,-0.3 0.628 124.4 -89.2 -74.1 -15.6 28.3 8.4 46.1 61 61 A G E < -M 58 0D 12 -3,-0.9 -3,-3.2 119,-0.1 2,-0.4 -0.882 53.6 -43.4 137.6-171.7 26.5 11.5 45.0 62 62 A Q E -M 57 0D 111 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.813 52.3-169.8 -97.0 131.1 23.2 13.3 44.7 63 63 A T E +M 56 0D 17 -7,-3.1 -7,-3.1 -2,-0.4 4,-0.1 -0.992 27.4 179.5-130.9 141.1 20.3 11.2 43.4 64 64 A Q S S+ 0 0 106 -2,-0.4 -10,-0.4 -9,-0.2 -1,-0.1 0.375 88.1 40.1-104.7 -2.5 16.8 12.1 42.3 65 65 A D S S+ 0 0 116 -9,-0.1 29,-0.1 -12,-0.1 -10,-0.1 0.759 94.7 66.7-120.9 -40.9 15.8 8.5 41.5 66 66 A H S S+ 0 0 35 -10,-0.1 28,-2.4 27,-0.1 29,-0.5 0.794 99.7 49.7 -61.3 -37.7 17.1 5.8 43.9 67 67 A F E - K 0 93C 5 -13,-0.3 -13,-0.7 26,-0.2 2,-0.2 -0.805 58.5-172.0-112.6 149.3 15.0 6.9 46.9 68 68 A K E -JK 53 92C 46 24,-2.0 24,-2.1 -2,-0.3 2,-0.4 -0.709 24.5-121.4-119.7 176.6 11.3 7.7 47.4 69 69 A L E -JK 52 91C 36 -17,-1.7 -17,-2.3 -2,-0.2 22,-0.2 -0.970 28.6-114.0-119.9 140.1 9.6 9.1 50.5 70 70 A T - 0 0 4 20,-2.3 -19,-0.1 -2,-0.4 -18,-0.1 -0.217 11.4-153.1 -64.5 161.1 6.8 7.3 52.4 71 71 A S S S+ 0 0 21 -21,-0.3 -1,-0.1 1,-0.1 -20,-0.1 0.701 81.3 43.4-101.8 -32.2 3.2 8.6 52.4 72 72 A L S S- 0 0 7 -53,-0.2 306,-0.1 1,-0.1 -1,-0.1 -0.793 100.0 -91.8-108.7 154.5 2.1 7.0 55.7 73 73 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 15,-0.2 -0.254 36.1-133.3 -58.4 155.5 4.2 6.8 58.9 74 74 A V E - L 0 87C 0 13,-2.1 13,-2.9 -4,-0.1 2,-0.4 -0.937 13.3-149.2-111.1 129.3 6.4 3.7 59.4 75 75 A L E -FL 18 86C 13 -57,-2.5 -57,-3.2 -2,-0.5 2,-0.4 -0.894 13.4-167.2 -99.0 135.2 6.3 2.0 62.8 76 76 A I E -FL 17 85C 0 9,-2.3 9,-3.2 -2,-0.4 2,-0.5 -0.975 6.7-160.9-127.8 126.6 9.5 0.2 64.0 77 77 A R E -F 16 0C 84 -61,-3.0 -61,-2.6 -2,-0.4 5,-0.1 -0.940 10.2-151.3-112.4 125.9 9.8 -2.2 66.9 78 78 A L - 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