==== 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 3LIY . 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 . 721 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 63.8 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 . 231 32.0 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 . 15 2.1 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 . 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 . 86 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 3.3 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 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 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 5 35 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 5 4 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 97 0, 0.0 231,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 175.4 90.1 65.6 74.9 2 2 A V E -A 231 0A 86 229,-0.2 229,-0.2 227,-0.0 227,-0.0 -0.710 360.0-158.6 -82.5 131.1 86.6 64.3 74.2 3 3 A I E -A 230 0A 30 227,-3.3 227,-2.6 -2,-0.4 2,-0.0 -0.953 9.1-141.7-119.1 108.6 85.6 64.8 70.6 4 4 A P E -A 229 0A 101 0, 0.0 2,-0.4 0, 0.0 225,-0.2 -0.387 18.0-127.1 -70.1 148.4 81.9 64.7 69.9 5 5 A L + 0 0 7 223,-1.0 222,-0.1 218,-0.1 223,-0.1 -0.873 34.1 166.8-106.0 131.1 80.8 63.0 66.6 6 6 A D B > -D 9 0B 41 3,-0.6 3,-1.5 -2,-0.4 215,-0.2 -0.981 37.4-139.3-148.0 124.9 78.6 64.9 64.2 7 7 A P T 3 S+ 0 0 39 0, 0.0 214,-0.1 0, 0.0 213,-0.1 0.808 105.7 52.5 -54.2 -33.1 77.8 64.0 60.6 8 8 A A T 3 S+ 0 0 88 1,-0.1 2,-0.4 212,-0.1 145,-0.1 0.469 108.0 53.1 -85.5 -9.8 78.1 67.7 59.6 9 9 A R B < S-D 6 0B 193 -3,-1.5 -3,-0.6 144,-0.1 -1,-0.1 -0.963 78.5-138.1-129.3 117.8 81.6 68.3 61.2 10 10 A R - 0 0 106 -2,-0.4 2,-0.8 -5,-0.1 141,-0.1 -0.531 26.2-119.3 -72.2 133.2 84.5 66.0 60.3 11 11 A P + 0 0 9 0, 0.0 20,-3.0 0, 0.0 2,-0.3 -0.707 49.9 169.2 -77.2 106.0 86.6 65.2 63.4 12 12 A V E -E 30 0C 60 -2,-0.8 2,-0.3 18,-0.3 18,-0.2 -0.746 21.0-166.6-118.5 164.8 90.0 66.7 62.5 13 13 A I E -E 29 0C 26 16,-2.0 16,-3.2 -2,-0.3 2,-0.6 -0.972 27.3-117.2-146.4 150.5 93.2 67.4 64.3 14 14 A K E -E 28 0C 116 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.904 41.3-178.9 -88.5 123.8 96.3 69.5 63.5 15 15 A A E -E 27 0C 1 12,-2.9 12,-2.7 -2,-0.6 2,-0.7 -0.974 28.5-134.6-127.6 137.8 99.3 67.1 63.3 16 16 A Q E -EF 26 77C 78 61,-3.1 61,-2.5 -2,-0.4 2,-0.5 -0.818 28.3-161.4 -89.3 116.0 103.0 67.7 62.7 17 17 A V E -EF 25 76C 3 8,-3.2 8,-1.9 -2,-0.7 2,-0.7 -0.853 12.7-170.4-105.3 122.3 104.1 65.1 60.2 18 18 A D E + F 0 75C 16 57,-3.3 57,-2.2 -2,-0.5 5,-0.1 -0.917 7.2 178.4-109.3 102.7 107.8 64.2 59.7 19 19 A T - 0 0 2 -2,-0.7 53,-0.2 25,-0.3 -1,-0.1 0.521 40.0-130.4 -76.8 -7.7 108.2 62.0 56.6 20 20 A Q S S+ 0 0 4 2,-0.4 3,-0.1 55,-0.1 25,-0.1 0.672 95.8 80.7 62.6 17.7 112.0 62.0 57.2 21 21 A T S S+ 0 0 25 1,-0.3 2,-0.3 23,-0.2 27,-0.1 0.342 103.3 6.5-121.8 -5.3 112.4 62.9 53.5 22 22 A S S S- 0 0 45 23,-0.1 -2,-0.4 24,-0.1 -1,-0.3 -0.939 102.7 -56.3-165.4 171.8 111.7 66.7 53.8 23 23 A H - 0 0 146 -2,-0.3 -4,-0.1 1,-0.1 -6,-0.1 -0.399 67.1-102.1 -65.8 142.0 111.1 69.3 56.5 24 24 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.271 39.6-159.7 -67.0 149.8 108.2 68.4 58.8 25 25 A K E -E 17 0C 107 -8,-1.9 -8,-3.2 -3,-0.1 2,-0.5 -0.976 17.8-128.7-129.3 148.5 104.8 70.1 58.2 26 26 A T E +E 16 0C 90 -2,-0.4 2,-0.3 -10,-0.3 -10,-0.3 -0.794 38.8 172.1 -92.9 124.6 101.7 70.6 60.3 27 27 A I E -E 15 0C 28 -12,-2.7 -12,-2.9 -2,-0.5 2,-0.6 -0.865 38.1-109.2-129.2 162.7 98.6 69.5 58.5 28 28 A E E -E 14 0C 108 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.839 43.8-174.7 -90.8 128.5 95.0 69.1 59.3 29 29 A A E -E 13 0C 6 -16,-3.2 -16,-2.0 -2,-0.6 2,-0.4 -0.934 25.5-115.2-129.8 147.1 94.1 65.4 59.3 30 30 A L E -Eg 12 100C 12 69,-2.7 71,-3.1 -2,-0.4 2,-0.9 -0.616 22.1-133.1 -76.2 128.6 90.9 63.4 59.7 31 31 A L E - g 0 101C 0 -20,-3.0 2,-0.6 -2,-0.4 71,-0.2 -0.768 35.8-178.3 -80.6 111.6 90.6 61.2 62.8 32 32 A D > - 0 0 0 69,-2.7 3,-1.9 -2,-0.9 71,-0.3 -0.841 29.0-179.3-128.7 89.4 89.4 58.0 61.2 33 33 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 115,-0.1 0.712 87.6 62.2 -59.3 -16.8 88.6 54.9 63.2 34 34 A G T 3 S+ 0 0 0 113,-0.1 206,-1.7 93,-0.1 2,-0.6 0.251 83.7 93.0 -92.6 14.6 87.7 53.1 59.9 35 35 A A B < -m 240 0D 0 -3,-1.9 68,-2.8 204,-0.3 69,-0.3 -0.947 56.5-165.0-106.0 120.4 91.3 53.5 58.6 36 36 A D S S+ 0 0 14 204,-2.7 68,-0.6 -2,-0.6 2,-0.3 0.865 80.1 25.5 -63.5 -36.6 93.6 50.5 59.3 37 37 A M S S- 0 0 29 203,-0.3 -1,-0.1 66,-0.1 53,-0.1 -0.944 88.8-103.6-134.1 148.2 96.6 52.7 58.4 38 38 A T - 0 0 0 -2,-0.3 53,-2.5 51,-0.2 2,-0.4 -0.326 31.1-147.7 -68.7 146.8 97.4 56.4 58.4 39 39 A V E -hI 91 100C 0 61,-2.5 61,-2.6 51,-0.2 53,-0.2 -0.987 12.8-173.2-121.9 129.1 97.5 58.2 55.0 40 40 A I E -h 92 0C 4 51,-2.5 53,-2.2 -2,-0.4 59,-0.2 -0.957 31.5-108.9-119.8 138.9 99.8 61.2 54.3 41 41 A P E > -h 93 0C 19 0, 0.0 3,-1.7 0, 0.0 53,-0.2 -0.342 22.1-127.4 -65.9 146.4 99.6 63.3 51.1 42 42 A I G > S+ 0 0 52 51,-2.4 3,-2.5 1,-0.3 52,-0.1 0.812 102.8 77.2 -67.1 -23.4 102.5 62.7 48.6 43 43 A A G 3 S+ 0 0 72 50,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.732 85.7 62.6 -56.6 -24.9 103.1 66.5 48.6 44 44 A L G < S+ 0 0 24 -3,-1.7 2,-0.3 2,-0.1 -25,-0.3 0.544 93.9 77.0 -76.1 -11.2 104.8 66.2 52.0 45 45 A F S < S- 0 0 17 -3,-2.5 -23,-0.1 -4,-0.1 -22,-0.0 -0.765 91.7 -98.5-101.5 149.3 107.5 63.9 50.6 46 46 A S > - 0 0 40 -2,-0.3 3,-1.0 1,-0.1 -1,-0.1 -0.304 33.5-115.5 -59.3 147.4 110.6 65.0 48.5 47 47 A S T 3 S+ 0 0 135 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.0 0.851 112.1 56.6 -52.1 -37.4 110.2 64.5 44.7 48 48 A N T 3 S+ 0 0 96 -27,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.867 77.8 124.1 -53.6 -46.1 113.1 62.0 44.9 49 49 A T < - 0 0 22 -3,-1.0 2,-0.2 1,-0.1 358,-0.1 0.148 57.0-129.9 -63.3 141.9 111.7 59.5 47.3 50 50 A P - 0 0 44 0, 0.0 21,-0.6 0, 0.0 2,-0.3 -0.513 29.8-178.7 -74.0 130.1 111.2 55.8 46.7 51 51 A L E -J 70 0C 46 -2,-0.2 2,-0.3 19,-0.1 19,-0.2 -0.878 21.0-121.2-129.4 157.8 107.8 54.5 47.6 52 52 A K E -J 69 0C 87 17,-3.2 17,-2.4 -2,-0.3 2,-0.1 -0.775 23.3-112.5-104.8 148.6 106.4 50.9 47.5 53 53 A N E +J 68 0C 129 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.485 45.5 163.6 -73.9 148.2 103.4 49.7 45.5 54 54 A T - 0 0 24 13,-0.7 2,-0.4 10,-0.5 13,-0.3 -0.979 34.0-118.1-158.7 168.8 100.5 48.5 47.6 55 55 A S - 0 0 19 -2,-0.3 2,-0.4 11,-0.1 9,-0.2 -0.879 24.8-174.2-117.3 141.2 96.8 47.7 47.5 56 56 A V E -N 63 0E 0 7,-2.0 7,-3.1 -2,-0.4 2,-0.6 -0.999 18.0-141.9-138.2 132.2 94.0 49.6 49.5 57 57 A L E +NO 62 241E 31 184,-3.3 184,-3.0 -2,-0.4 5,-0.2 -0.903 33.4 164.1 -95.4 122.5 90.3 48.8 49.8 58 58 A G E > -N 61 0E 1 3,-2.5 3,-2.4 -2,-0.6 182,-0.1 -0.743 55.5 -82.1-124.0-178.8 88.2 51.9 49.8 59 59 A A T 3 S+ 0 0 1 179,-0.6 155,-0.1 180,-0.5 3,-0.1 0.806 129.1 51.4 -55.1 -37.0 84.5 52.7 49.4 60 60 A G T 3 S- 0 0 34 1,-0.3 -1,-0.3 118,-0.1 2,-0.2 0.147 123.3 -97.3 -91.5 23.3 84.9 52.7 45.6 61 61 A G E < -N 58 0E 7 -3,-2.4 -3,-2.5 2,-0.1 -1,-0.3 -0.509 66.1 -21.3 103.8-166.7 86.6 49.2 45.6 62 62 A Q E -N 57 0E 113 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.594 55.8-168.4 -81.0 138.4 90.2 48.0 45.6 63 63 A T E +N 56 0E 21 -7,-3.1 -7,-2.0 -2,-0.3 4,-0.2 -0.992 21.1 174.2-129.5 130.8 92.9 50.3 44.3 64 64 A Q S S+ 0 0 129 -2,-0.4 -10,-0.5 -9,-0.2 -1,-0.1 0.432 83.1 46.9-103.4 -9.5 96.5 49.4 43.4 65 65 A D S S+ 0 0 124 -9,-0.1 29,-0.1 -12,-0.1 -10,-0.1 0.744 96.6 63.8-100.3 -35.9 97.4 52.8 41.9 66 66 A H S S+ 0 0 46 -10,-0.1 28,-2.5 27,-0.1 2,-0.4 0.829 101.9 42.5 -67.1 -39.6 96.2 55.5 44.3 67 67 A F E - K 0 93C 1 -13,-0.3 -13,-0.7 26,-0.2 2,-0.3 -0.883 58.7-170.2-114.8 144.8 98.3 54.8 47.4 68 68 A K E -JK 53 92C 40 24,-2.0 24,-2.5 -2,-0.4 2,-0.4 -0.792 25.1-119.9-115.3 172.4 101.9 53.8 48.0 69 69 A L E -JK 52 91C 29 -17,-2.4 -17,-3.2 -2,-0.3 22,-0.2 -0.870 33.4-113.7-108.9 144.5 103.6 52.6 51.2 70 70 A T E -J 51 0C 5 20,-2.1 -19,-0.1 -2,-0.4 4,-0.1 -0.348 8.1-145.3 -73.2 160.3 106.5 54.7 52.5 71 71 A S S S+ 0 0 18 -21,-0.6 -1,-0.1 2,-0.1 -20,-0.1 0.658 84.7 45.5 -94.6 -24.1 110.1 53.3 52.6 72 72 A L S S- 0 0 5 -53,-0.2 18,-0.2 332,-0.1 316,-0.1 -0.877 96.1 -94.5-115.7 156.9 110.9 55.1 55.9 73 73 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 15,-0.2 -0.223 35.8-136.9 -60.0 158.8 109.0 55.5 59.2 74 74 A V E - L 0 87C 0 13,-2.2 13,-3.0 -4,-0.1 2,-0.5 -0.957 9.5-151.1-123.2 131.0 106.8 58.6 59.6 75 75 A L E -FL 18 86C 14 -57,-2.2 -57,-3.3 -2,-0.4 2,-0.4 -0.903 12.8-170.4-102.8 136.0 106.8 60.5 62.9 76 76 A I E -FL 17 85C 2 9,-2.2 9,-3.1 -2,-0.5 2,-0.5 -0.988 5.3-165.1-130.7 125.7 103.7 62.4 63.9 77 77 A R E -F 16 0C 72 -61,-2.5 -61,-3.1 -2,-0.4 5,-0.1 -0.951 9.7-152.0-110.7 133.2 103.3 64.8 66.8 78 78 A L > - 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