==== 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 3LIX . 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) . 11220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 31.3 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 . 37 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.6 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 1 3 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 0 11 0 1 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 . 1 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,-1.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 134.4 29.2 37.0 4.6 2 2 A V E -A 231 0A 85 229,-0.2 229,-0.2 227,-0.1 227,-0.0 -0.720 360.0-157.5 -73.1 122.7 27.6 33.6 5.1 3 3 A I E -A 230 0A 27 227,-3.8 227,-2.6 -2,-0.5 2,-0.1 -0.923 11.7-143.2-105.7 106.9 28.1 32.7 8.8 4 4 A P E -A 229 0A 87 0, 0.0 2,-0.5 0, 0.0 225,-0.2 -0.363 17.0-119.6 -68.2 145.4 27.8 28.9 9.2 5 5 A L + 0 0 7 223,-1.6 222,-0.1 218,-0.1 5,-0.1 -0.789 39.8 163.8 -98.1 130.1 26.1 27.6 12.3 6 6 A D B > -D 9 0B 34 3,-0.5 3,-0.9 -2,-0.5 215,-0.2 -0.990 37.7-141.2-148.9 123.2 28.1 25.5 14.7 7 7 A P T 3 S+ 0 0 39 0, 0.0 214,-0.1 0, 0.0 3,-0.1 0.860 105.9 46.6 -56.9 -36.4 27.3 24.6 18.3 8 8 A A T 3 S+ 0 0 82 1,-0.2 2,-0.4 212,-0.1 145,-0.0 0.565 111.4 51.9 -83.4 -14.7 31.0 24.9 19.2 9 9 A R B < S-D 6 0B 183 -3,-0.9 -3,-0.5 144,-0.1 -1,-0.2 -0.867 81.1-140.5-131.8 98.3 31.7 28.2 17.4 10 10 A R - 0 0 93 -2,-0.4 2,-1.3 1,-0.1 141,-0.1 -0.207 24.5-113.0 -58.4 140.4 29.4 31.1 18.2 11 11 A P + 0 0 3 0, 0.0 20,-3.2 0, 0.0 2,-0.3 -0.664 54.0 167.8 -81.1 99.2 28.4 33.3 15.2 12 12 A V E -E 30 0C 57 -2,-1.3 2,-0.3 18,-0.2 18,-0.2 -0.805 19.8-170.1-115.9 156.3 30.1 36.6 16.2 13 13 A I E -E 29 0C 15 16,-2.6 16,-3.4 -2,-0.3 2,-0.7 -0.959 28.6-117.6-139.2 151.5 30.9 39.8 14.4 14 14 A K E +E 28 0C 109 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.865 42.7 178.7 -91.9 116.9 33.0 42.9 15.2 15 15 A A E -E 27 0C 2 12,-2.6 12,-2.8 -2,-0.7 2,-0.7 -0.946 27.9-132.2-121.9 143.8 30.6 45.8 15.3 16 16 A Q E -EF 26 77C 62 61,-2.9 61,-2.3 -2,-0.4 2,-0.5 -0.843 25.6-159.7 -96.6 115.9 31.2 49.4 16.1 17 17 A V E -EF 25 76C 3 8,-2.5 8,-2.2 -2,-0.7 2,-0.6 -0.813 11.9-166.9-102.6 131.4 28.7 50.8 18.6 18 18 A D E + F 0 75C 32 57,-2.9 57,-2.5 -2,-0.5 5,-0.1 -0.952 9.4 175.6-114.0 105.7 27.9 54.5 19.1 19 19 A T - 0 0 3 -2,-0.6 53,-0.2 25,-0.3 -1,-0.1 0.624 42.4-128.5 -83.5 -15.1 26.0 55.0 22.3 20 20 A Q S S+ 0 0 102 2,-0.5 3,-0.1 55,-0.1 25,-0.1 0.554 94.3 81.0 77.2 14.9 26.1 58.7 21.8 21 21 A T S S+ 0 0 28 23,-0.3 2,-0.3 1,-0.3 28,-0.1 0.433 102.8 4.0-126.9 -10.4 27.4 59.2 25.3 22 22 A S S S- 0 0 43 22,-0.2 -2,-0.5 24,-0.1 -1,-0.3 -0.887 104.7 -49.1-159.1-177.6 31.1 58.4 24.8 23 23 A H - 0 0 153 -2,-0.3 -4,-0.2 1,-0.1 -2,-0.1 -0.319 65.1 -99.4 -65.7 146.1 33.4 57.6 21.9 24 24 A P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.387 46.5-167.0 -61.8 142.6 32.2 54.9 19.4 25 25 A K E -E 17 0C 85 -8,-2.2 -8,-2.5 -3,-0.1 2,-0.5 -1.000 21.1-123.7-140.5 140.5 33.9 51.6 20.2 26 26 A T E +E 16 0C 91 -2,-0.4 -10,-0.3 -10,-0.3 2,-0.2 -0.699 38.2 171.6 -83.5 122.2 34.3 48.3 18.3 27 27 A I E -E 15 0C 31 -12,-2.8 -12,-2.6 -2,-0.5 2,-0.6 -0.752 38.4-101.8-124.7 169.1 33.1 45.3 20.3 28 28 A E E -E 14 0C 97 -2,-0.2 71,-1.5 -14,-0.2 2,-0.4 -0.837 42.2-169.8 -91.5 126.2 32.4 41.6 19.7 29 29 A A E -Eg 13 99C 2 -16,-3.4 -16,-2.6 -2,-0.6 2,-0.5 -0.920 18.9-131.0-121.6 148.2 28.8 41.0 19.2 30 30 A L E -Eg 12 100C 5 69,-2.1 71,-2.4 -2,-0.4 2,-0.8 -0.828 22.8-128.1 -98.2 131.0 26.9 37.7 19.0 31 31 A L E - g 0 101C 0 -20,-3.2 2,-0.6 -2,-0.5 71,-0.2 -0.686 36.3-175.7 -84.8 114.2 24.5 37.3 16.1 32 32 A D > + 0 0 17 69,-3.0 3,-1.0 -2,-0.8 71,-0.5 -0.851 32.4 176.5-130.0 104.4 21.2 36.3 17.6 33 33 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 115,-0.1 0.664 87.9 61.2 -71.2 -15.0 17.9 35.3 16.0 34 34 A G T 3 S+ 0 0 12 93,-0.1 2,-0.6 113,-0.1 -1,-0.2 0.682 87.6 91.0 -82.5 -15.4 16.4 34.5 19.4 35 35 A A < - 0 0 15 -3,-1.0 68,-2.9 66,-0.2 69,-0.3 -0.749 53.6-170.1 -97.9 115.4 16.9 38.1 20.6 36 36 A D S S+ 0 0 58 -2,-0.6 2,-0.3 66,-0.2 68,-0.3 0.752 78.1 34.9 -61.8 -31.5 14.1 40.6 20.1 37 37 A M S S- 0 0 68 66,-0.1 2,-0.1 67,-0.1 66,-0.1 -0.962 86.6-109.8-140.2 142.9 16.3 43.5 21.1 38 38 A T - 0 0 1 -2,-0.3 53,-2.2 51,-0.3 2,-0.5 -0.470 29.1-145.8 -81.3 145.0 19.9 44.3 20.8 39 39 A V E -hI 91 100C 11 61,-2.5 61,-2.2 51,-0.2 53,-0.2 -0.962 13.0-169.2-120.4 118.5 22.0 44.2 24.0 40 40 A I E -h 92 0C 2 51,-3.2 53,-2.1 -2,-0.5 2,-0.1 -0.821 26.2-114.7-107.7 140.9 24.9 46.6 24.5 41 41 A P E > -h 93 0C 1 0, 0.0 3,-1.2 0, 0.0 53,-0.2 -0.436 21.8-127.0 -68.0 150.6 27.5 46.3 27.3 42 42 A I G > S+ 0 0 62 51,-1.7 3,-2.4 54,-0.3 52,-0.1 0.768 100.5 78.9 -75.5 -23.2 27.4 49.2 29.9 43 43 A A G 3 S+ 0 0 59 1,-0.3 -1,-0.3 0, 0.0 51,-0.1 0.608 84.5 66.3 -58.4 -10.6 31.2 49.9 29.4 44 44 A L G < S+ 0 0 10 -3,-1.2 -25,-0.3 2,-0.1 2,-0.3 0.368 92.4 76.5 -90.7 3.2 30.2 51.7 26.2 45 45 A F S < S- 0 0 24 -3,-2.4 -23,-0.1 -24,-0.1 -22,-0.0 -0.883 83.1-112.4-117.0 145.9 28.3 54.4 28.2 46 46 A S - 0 0 32 -2,-0.3 -24,-0.1 1,-0.1 -2,-0.1 -0.233 31.5-110.7 -68.1 163.9 29.5 57.4 30.2 47 47 A S S S+ 0 0 128 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.839 111.3 50.1 -62.0 -37.3 29.1 57.5 34.0 48 48 A N S S+ 0 0 140 -27,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.979 77.6 105.3 -67.4 -62.1 26.5 60.3 33.8 49 49 A T S S- 0 0 37 -28,-0.1 2,-0.1 1,-0.1 -28,-0.0 0.179 70.6-118.5 -44.0 128.9 23.9 59.3 31.3 50 50 A P - 0 0 94 0, 0.0 21,-0.4 0, 0.0 2,-0.4 -0.384 27.4-165.9 -69.2 140.4 20.5 58.1 32.7 51 51 A L - 0 0 40 19,-0.1 19,-0.2 -2,-0.1 2,-0.2 -0.997 18.1-125.1-133.1 128.5 19.3 54.5 32.1 52 52 A K E -J 69 0C 131 17,-1.6 17,-2.5 -2,-0.4 2,-0.1 -0.430 25.6-117.1 -72.3 136.2 15.8 53.2 32.6 53 53 A N E -J 68 0C 125 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.439 40.2-178.8 -69.1 148.0 15.3 50.2 34.8 54 54 A T E -J 67 0C 34 13,-0.9 13,-0.5 10,-0.6 2,-0.4 -0.998 27.1-129.6-153.8 148.7 13.8 47.2 33.0 55 55 A S E - 0 0 59 -2,-0.3 2,-0.4 11,-0.1 9,-0.2 -0.856 25.7-170.0-102.2 136.1 12.6 43.6 33.5 56 56 A V E -J 63 0C 24 7,-2.2 2,-0.7 -2,-0.4 7,-0.7 -0.993 15.4-153.7-131.9 128.8 13.8 40.8 31.2 57 57 A L E +J 62 0C 93 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.890 34.6 150.3-101.4 102.1 12.7 37.2 30.8 58 58 A G - 0 0 11 3,-1.6 117,-0.1 -2,-0.7 -2,-0.0 -0.489 65.3 -76.8-113.1-168.9 15.5 35.0 29.5 59 59 A A S S+ 0 0 14 176,-0.4 3,-0.1 1,-0.2 124,-0.1 0.852 131.6 55.6 -60.7 -37.2 16.5 31.3 29.9 60 60 A G S S- 0 0 8 1,-0.2 2,-0.3 175,-0.2 -1,-0.2 0.956 116.1-121.3 -54.8 -51.0 17.8 32.1 33.3 61 61 A G - 0 0 6 -5,-0.1 -3,-1.6 2,-0.0 -1,-0.2 -0.945 54.5 -3.7 142.1-159.6 14.4 33.6 34.2 62 62 A Q E +J 57 0C 108 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.309 59.5 172.4 -61.3 143.8 13.0 36.8 35.5 63 63 A T E +J 56 0C 11 -7,-0.7 -7,-2.2 1,-0.1 4,-0.2 -0.818 25.0 163.3-158.3 120.3 15.4 39.7 36.2 64 64 A Q E S+ 0 0 125 -2,-0.3 -10,-0.6 -9,-0.2 3,-0.1 0.675 83.6 56.3 -96.9 -24.4 14.9 43.4 37.1 65 65 A D E S+ 0 0 102 1,-0.2 -10,-0.1 -12,-0.1 -1,-0.1 0.666 100.3 59.3 -80.1 -13.0 18.4 44.0 38.5 66 66 A H E S+ 0 0 39 -12,-0.1 28,-1.8 -10,-0.1 29,-0.5 0.739 97.5 38.5-101.8 -32.9 20.4 42.9 35.4 67 67 A F E -JK 54 93C 10 -13,-0.5 -13,-0.9 -4,-0.2 2,-0.2 -0.941 57.6-164.0-120.4 147.4 19.6 44.9 32.3 68 68 A K E -JK 53 92C 41 24,-1.9 24,-2.4 -2,-0.4 2,-0.4 -0.695 20.6-118.4-116.2 175.8 18.8 48.6 31.8 69 69 A L E -JK 52 91C 33 -17,-2.5 -17,-1.6 -2,-0.2 22,-0.2 -0.944 27.8-109.3-121.3 138.5 17.2 50.5 28.9 70 70 A T - 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