==== 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 04-OCT-05 2B7F . COMPND 2 MOLECULE: HTLV PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN T-LYMPHOTROPIC VIRUS 1; . AUTHOR M.LI,G.S.LACO,M.JASKOLSKI,J.ROZYCKI,J.ALEXANDRATOS,A.WLODAWE . 722 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 31.0 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 . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 77 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 3 3 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 . 6 6 6 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 . 17 4 34 0 0 6 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 . 0 6 3 0 0 0 0 6 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 99 0, 0.0 231,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 151.1 90.9 65.8 75.0 2 2 A V E -A 231 0A 85 229,-0.2 229,-0.2 227,-0.0 0, 0.0 -0.917 360.0-156.7 -92.3 106.7 87.5 64.3 74.4 3 3 A I E -A 230 0A 35 227,-2.9 227,-2.5 -2,-0.6 2,-0.2 -0.802 10.1-142.9 -88.5 118.8 86.5 64.9 70.7 4 4 A P E -A 229 0A 96 0, 0.0 2,-0.4 0, 0.0 225,-0.2 -0.533 20.0-124.1 -72.1 144.4 82.7 64.8 70.2 5 5 A L + 0 0 7 223,-1.2 222,-0.1 -2,-0.2 5,-0.1 -0.819 37.3 165.5-101.2 140.1 81.6 63.2 66.9 6 6 A D > - 0 0 46 3,-0.5 3,-0.9 -2,-0.4 215,-0.2 -0.977 36.9-139.0-155.1 123.2 79.5 65.1 64.6 7 7 A P T 3 S+ 0 0 42 0, 0.0 214,-0.1 0, 0.0 3,-0.1 0.787 104.0 49.9 -61.6 -28.8 78.7 64.5 60.9 8 8 A A T 3 S+ 0 0 89 1,-0.2 2,-0.5 212,-0.1 145,-0.0 0.653 108.5 57.3 -86.5 -8.9 79.0 68.1 59.9 9 9 A R S < S- 0 0 191 -3,-0.9 -3,-0.5 144,-0.1 -1,-0.2 -0.882 78.4-140.8-127.1 99.9 82.4 68.7 61.6 10 10 A R - 0 0 92 -2,-0.5 2,-1.0 -3,-0.1 141,-0.1 -0.340 24.0-121.1 -49.2 131.4 85.4 66.5 60.6 11 11 A P + 0 0 9 0, 0.0 20,-2.5 0, 0.0 2,-0.3 -0.695 49.6 169.0 -78.5 99.4 87.5 65.6 63.7 12 12 A V E -D 30 0B 59 -2,-1.0 2,-0.3 18,-0.2 18,-0.2 -0.782 19.0-163.9-113.8 150.9 90.9 67.2 62.6 13 13 A I E -D 29 0B 30 16,-2.6 16,-2.9 -2,-0.3 2,-0.7 -0.949 24.9-117.5-129.5 158.4 94.1 67.8 64.5 14 14 A K E +D 28 0B 117 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.869 43.4 178.2 -90.7 117.9 97.3 70.0 63.9 15 15 A A E -D 27 0B 0 12,-2.8 12,-2.9 -2,-0.7 2,-0.6 -0.956 31.0-135.6-127.8 141.9 100.3 67.6 63.6 16 16 A Q E -DE 26 77B 73 61,-2.9 61,-2.6 -2,-0.4 2,-0.4 -0.834 28.3-163.3 -95.0 122.6 103.9 68.1 62.9 17 17 A V E -DE 25 76B 6 8,-3.0 8,-2.2 -2,-0.6 2,-0.5 -0.924 8.9-163.0-117.8 131.6 105.0 65.5 60.4 18 18 A D E + E 0 75B 33 57,-2.5 57,-1.6 -2,-0.4 5,-0.1 -0.943 12.4 177.6-121.2 105.1 108.6 64.5 59.8 19 19 A T - 0 0 5 -2,-0.5 53,-0.2 3,-0.3 -1,-0.1 0.659 38.7-132.6 -80.0 -10.2 109.4 62.6 56.6 20 20 A Q S S+ 0 0 19 2,-0.5 3,-0.1 55,-0.1 25,-0.1 0.732 97.0 78.7 58.0 20.8 113.2 62.5 57.4 21 21 A T S S+ 0 0 27 1,-0.5 2,-0.3 23,-0.2 25,-0.1 0.382 104.3 9.1-132.2 -9.2 113.5 63.6 53.7 22 22 A S S S- 0 0 48 23,-0.1 -1,-0.5 22,-0.1 -2,-0.5 -0.893 103.3 -60.8-158.0 171.9 112.7 67.4 54.1 23 23 A H - 0 0 155 -2,-0.3 -4,-0.1 1,-0.1 -6,-0.1 -0.288 67.0 -92.4 -61.8 150.5 112.2 69.8 57.1 24 24 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.114 46.5-161.0 -62.1 154.6 109.3 68.8 59.5 25 25 A K E -D 17 0B 112 -8,-2.2 -8,-3.0 -3,-0.1 2,-0.6 -0.998 17.9-130.0-144.9 139.5 105.9 70.5 58.7 26 26 A T E +D 16 0B 94 -2,-0.3 -10,-0.3 -10,-0.3 2,-0.3 -0.826 37.6 169.6 -91.2 116.9 102.7 71.1 60.6 27 27 A I E -D 15 0B 29 -12,-2.9 -12,-2.8 -2,-0.6 2,-0.6 -0.795 39.4-107.7-123.2 164.7 99.7 70.0 58.6 28 28 A E E -D 14 0B 117 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.859 43.4-172.7 -93.8 125.0 96.0 69.5 59.4 29 29 A A E -D 13 0B 4 -16,-2.9 -16,-2.6 -2,-0.6 2,-0.4 -0.940 24.8-117.0-124.0 140.9 95.2 65.8 59.5 30 30 A L E -Df 12 100B 13 69,-3.6 71,-3.6 -2,-0.4 2,-0.6 -0.604 22.7-135.0 -75.5 126.7 91.9 63.8 59.8 31 31 A L E - f 0 101B 3 -20,-2.5 2,-0.4 -2,-0.4 71,-0.2 -0.805 36.3-179.3 -77.5 113.3 91.6 61.7 63.0 32 32 A D > - 0 0 0 69,-2.9 3,-1.9 -2,-0.6 71,-0.3 -0.781 34.0-177.8-140.7 93.0 90.3 58.4 61.5 33 33 A T T 3 S+ 0 0 0 -2,-0.4 -1,-0.1 1,-0.3 116,-0.1 0.751 87.5 66.1 -59.6 -18.3 89.4 55.1 63.4 34 34 A G T 3 S+ 0 0 0 113,-0.1 206,-3.0 93,-0.1 2,-0.5 0.220 83.8 89.4 -92.0 13.6 88.6 53.5 60.0 35 35 A A B < -l 240 0C 0 -3,-1.9 68,-3.1 204,-0.2 69,-0.2 -0.957 57.3-162.2-110.8 119.1 92.2 53.7 58.7 36 36 A D S S+ 0 0 8 204,-2.8 68,-0.5 -2,-0.5 2,-0.3 0.873 82.0 18.7 -62.0 -36.5 94.7 50.8 59.4 37 37 A M S S- 0 0 22 203,-0.2 66,-0.1 66,-0.2 -1,-0.1 -0.943 89.4 -96.0-133.6 157.1 97.7 53.1 58.6 38 38 A T - 0 0 2 -2,-0.3 53,-2.3 51,-0.2 2,-0.4 -0.363 31.7-144.7 -70.2 150.6 98.4 56.8 58.5 39 39 A V E -gH 91 100B 2 61,-2.2 61,-2.0 51,-0.2 53,-0.2 -0.971 14.5-173.5-121.8 130.9 98.3 58.7 55.2 40 40 A I E -g 92 0B 3 51,-2.1 53,-2.5 -2,-0.4 59,-0.2 -0.970 31.5-107.2-129.6 135.2 100.7 61.6 54.3 41 41 A P E > -g 93 0B 20 0, 0.0 3,-2.1 0, 0.0 53,-0.2 -0.361 22.7-129.8 -62.6 133.9 100.5 63.8 51.2 42 42 A I G > S+ 0 0 49 51,-3.2 3,-1.9 1,-0.3 52,-0.1 0.773 102.2 76.6 -56.2 -26.4 103.3 63.1 48.6 43 43 A A G 3 S+ 0 0 69 50,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.691 83.1 64.9 -58.4 -20.0 104.0 66.9 48.6 44 44 A L G < S+ 0 0 25 -3,-2.1 2,-0.3 2,-0.1 -25,-0.3 0.445 91.3 76.5 -85.8 -2.3 105.7 66.6 52.0 45 45 A F S < S- 0 0 11 -3,-1.9 -23,-0.1 -4,-0.1 4,-0.1 -0.844 95.4 -95.4-108.9 144.0 108.6 64.4 50.6 46 46 A S > - 0 0 40 -2,-0.3 2,-2.8 1,-0.2 3,-1.5 -0.359 37.9-122.0 -53.0 132.0 111.7 65.5 48.5 47 47 A S T 3 S+ 0 0 133 1,-0.3 -1,-0.2 -4,-0.1 -4,-0.0 -0.152 110.9 62.8 -76.1 53.0 110.7 64.8 44.9 48 48 A N T 3 S+ 0 0 97 -2,-2.8 -1,-0.3 -27,-0.1 -2,-0.1 -0.028 78.7 119.1-168.9 7.2 113.7 62.6 44.8 49 49 A T < - 0 0 31 -3,-1.5 2,-0.3 -4,-0.1 -4,-0.0 -0.735 61.6-122.2 -97.1 139.7 112.7 60.1 47.4 50 50 A P - 0 0 46 0, 0.0 21,-0.9 0, 0.0 2,-0.3 -0.641 30.8-178.4 -79.4 144.3 112.2 56.3 47.0 51 51 A L E -I 70 0B 42 -2,-0.3 19,-0.2 19,-0.2 2,-0.1 -0.997 19.5-127.6-143.9 134.5 108.8 54.9 47.8 52 52 A K E -I 69 0B 92 17,-2.1 17,-2.3 -2,-0.3 2,-0.2 -0.428 27.1-104.0 -87.2 162.3 107.5 51.2 47.7 53 53 A N E +I 68 0B 125 15,-0.2 2,-0.3 -2,-0.1 15,-0.1 -0.522 44.8 162.6 -80.6 154.0 104.5 49.9 46.0 54 54 A T - 0 0 24 13,-0.5 2,-0.4 10,-0.5 13,-0.3 -0.993 32.0-128.0-164.2 159.9 101.3 48.9 47.9 55 55 A S - 0 0 22 -2,-0.3 2,-0.4 11,-0.1 9,-0.2 -0.954 23.2-170.4-121.1 140.8 97.7 48.2 47.5 56 56 A V E -M 63 0D 0 7,-2.3 7,-2.2 -2,-0.4 2,-0.6 -0.978 20.0-132.0-130.7 141.6 95.0 49.9 49.6 57 57 A L E +MN 62 241D 39 184,-2.2 184,-1.7 -2,-0.4 5,-0.2 -0.847 35.3 172.4 -96.2 117.1 91.3 49.1 49.9 58 58 A G E > -M 61 0D 0 3,-1.2 3,-1.9 -2,-0.6 182,-0.1 -0.575 50.9 -89.3-115.9 177.4 89.1 52.2 49.6 59 59 A A T 3 S+ 0 0 1 179,-0.5 155,-0.1 180,-0.4 3,-0.1 0.845 129.3 49.9 -56.0 -39.0 85.4 53.1 49.4 60 60 A G T 3 S- 0 0 32 1,-0.3 -1,-0.3 118,-0.2 121,-0.1 -0.066 124.2 -95.8 -86.2 32.7 85.8 52.8 45.7 61 61 A G E < -M 58 0D 8 -3,-1.9 -3,-1.2 2,-0.0 -1,-0.3 -0.108 68.1 -21.0 84.4 170.8 87.5 49.4 45.8 62 62 A Q E -M 57 0D 101 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.211 56.3-168.1 -53.7 138.1 91.3 48.3 45.7 63 63 A T E +M 56 0D 20 -7,-2.2 -7,-2.3 1,-0.1 4,-0.1 -1.000 17.7 176.4-132.8 135.6 93.8 50.7 44.3 64 64 A Q S S+ 0 0 131 -2,-0.4 -10,-0.5 -9,-0.2 -1,-0.1 0.544 79.5 47.9-110.9 -13.0 97.3 49.8 43.4 65 65 A D S S+ 0 0 127 -12,-0.1 -10,-0.1 1,-0.1 29,-0.0 0.664 98.3 64.1 -97.6 -23.0 98.5 53.1 41.9 66 66 A H S S+ 0 0 43 -10,-0.1 28,-2.0 1,-0.1 2,-0.4 0.690 97.0 45.4 -89.5 -32.5 97.4 55.8 44.4 67 67 A F E - J 0 93B 3 -13,-0.3 -13,-0.5 26,-0.2 2,-0.3 -0.960 59.9-168.7-116.6 135.2 99.3 55.1 47.5 68 68 A K E -IJ 53 92B 43 24,-2.2 24,-2.8 -2,-0.4 2,-0.3 -0.735 22.7-123.2-104.9 170.0 102.9 54.3 48.0 69 69 A L E -IJ 52 91B 29 -17,-2.3 -17,-2.1 -2,-0.3 2,-0.2 -0.831 31.3-107.5-105.7 152.1 104.6 53.0 51.2 70 70 A T E -I 51 0B 5 20,-1.6 -19,-0.2 -2,-0.3 4,-0.1 -0.567 10.6-151.5 -83.3 141.8 107.5 55.0 52.8 71 71 A S S S+ 0 0 32 -21,-0.9 -1,-0.1 -2,-0.2 -20,-0.1 0.918 85.2 41.6 -71.1 -42.9 111.1 53.6 52.7 72 72 A L S S- 0 0 8 -53,-0.2 18,-0.2 1,-0.2 316,-0.1 -0.682 96.8 -94.6-100.7 156.1 112.0 55.4 56.0 73 73 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 15,-0.2 -0.097 34.9-136.1 -57.3 164.7 110.0 55.8 59.3 74 74 A V E - K 0 87B 0 13,-2.1 13,-2.7 -4,-0.1 2,-0.4 -0.998 9.1-151.3-128.7 130.1 107.8 58.9 59.9 75 75 A L E -EK 18 86B 23 -57,-1.6 -57,-2.5 -2,-0.4 2,-0.5 -0.834 11.4-168.9-100.7 140.3 107.7 60.9 63.2 76 76 A I E -EK 17 85B 2 9,-1.9 9,-2.7 -2,-0.4 2,-0.4 -0.973 5.6-165.3-134.1 120.4 104.6 62.7 64.2 77 77 A R E -E 16 0B 78 -61,-2.6 -61,-2.9 -2,-0.5 5,-0.1 -0.894 10.6-154.6-100.3 132.6 104.3 65.2 67.0 78 78 A L > - 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