==== 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 17-APR-98 1BAI . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS; . AUTHOR J.WU,J.M.ADOMAT,T.W.RIDKY,J.M.LOUIS,J.LEIS,R.W.HARRISON,I.T. . 249 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 1 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 2 1 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 . 5 4 5 1 0 3 1 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 0 1 1 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 L 0 0 14 0, 0.0 247,-2.0 0, 0.0 248,-0.4 0.000 360.0 360.0 360.0 163.6 -0.2 37.1 41.9 2 2 A A E +A 247 0A 53 245,-0.2 245,-0.2 246,-0.1 2,-0.2 -0.819 360.0 167.8-168.9 126.0 2.6 37.5 39.4 3 3 A M E -A 246 0A 30 243,-1.4 243,-2.2 -2,-0.3 3,-0.1 -0.699 27.7-136.9-157.3 102.7 5.0 34.6 38.6 4 4 A T E -A 245 0A 79 241,-0.3 2,-0.4 -2,-0.2 241,-0.3 -0.242 30.6-111.8 -57.1 136.8 7.4 34.5 35.7 5 5 A M - 0 0 2 239,-2.3 2,-0.4 234,-0.2 -1,-0.1 -0.624 39.7-178.2 -75.3 123.6 7.6 31.2 33.9 6 6 A E - 0 0 52 3,-0.7 231,-0.1 -2,-0.4 230,-0.1 -0.999 26.9-145.5-124.5 132.6 11.0 29.7 34.5 7 7 A H S S+ 0 0 53 -2,-0.4 230,-0.2 229,-0.2 -1,-0.1 0.869 100.7 45.7 -63.7 -36.9 11.8 26.4 33.0 8 8 A K S S+ 0 0 149 228,-0.1 2,-0.6 1,-0.1 -1,-0.2 0.868 108.1 55.1 -77.1 -39.3 13.8 25.5 36.0 9 9 A D S S- 0 0 90 2,-0.0 -3,-0.7 3,-0.0 -1,-0.1 -0.833 82.0-133.4-102.6 124.9 11.5 26.5 38.8 10 10 A R - 0 0 87 -2,-0.6 2,-3.7 1,-0.1 154,-0.1 -0.554 31.4-103.1 -72.7 145.2 8.0 25.0 38.8 11 11 A P + 0 0 1 0, 0.0 25,-2.6 0, 0.0 2,-0.3 -0.229 64.7 166.9 -67.4 69.2 5.1 27.4 39.4 12 12 A L E -D 35 0B 84 -2,-3.7 2,-0.3 23,-0.2 23,-0.2 -0.685 11.9-178.8 -92.3 135.9 4.9 26.0 43.0 13 13 A V E -D 34 0B 9 21,-2.1 21,-2.3 -2,-0.3 2,-0.4 -0.899 31.2-108.5-133.2 162.4 2.8 27.7 45.8 14 14 A R E -DE 33 85B 123 71,-1.0 71,-2.5 -2,-0.3 2,-0.4 -0.777 39.4-175.7 -89.6 130.4 1.8 27.4 49.5 15 15 A V E -DE 32 84B 0 17,-1.4 17,-2.1 -2,-0.4 2,-0.5 -0.978 15.8-158.6-131.0 133.9 -1.8 26.4 50.0 16 16 A I E - E 0 83B 37 67,-2.6 67,-1.7 -2,-0.4 2,-0.2 -0.945 12.3-162.5-115.2 122.2 -3.9 25.9 53.2 17 17 A L E - E 0 82B 2 -2,-0.5 13,-1.5 13,-0.3 2,-0.3 -0.686 4.6-169.3 -98.0 157.1 -7.0 23.7 53.1 18 18 A T E -FE 29 81B 31 63,-0.8 63,-1.8 -2,-0.2 2,-0.4 -0.863 16.8-141.8-152.9 112.0 -9.9 23.8 55.6 19 19 A N E - E 0 80B 0 9,-1.9 61,-0.2 -2,-0.3 6,-0.1 -0.612 16.5-175.6 -75.6 123.7 -12.7 21.1 55.9 20 20 A T + 0 0 68 59,-1.9 2,-0.2 -2,-0.4 -1,-0.1 0.137 30.9 140.2-110.0 19.9 -15.8 23.1 56.7 21 21 A G - 0 0 7 58,-0.1 2,-1.1 1,-0.1 57,-0.1 -0.410 62.3-122.3 -73.1 130.3 -18.0 20.0 57.1 22 22 A S S S+ 0 0 128 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.635 90.9 75.4 -70.5 97.6 -20.5 20.0 59.9 23 23 A H S S- 0 0 68 -2,-1.1 2,-0.1 2,-0.1 -2,-0.0 -0.454 91.3 -90.5 159.8 139.3 -19.0 16.8 61.3 24 24 A P + 0 0 117 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.338 38.4 173.3 -69.0 154.1 -15.8 16.3 63.2 25 25 A V - 0 0 24 1,-0.1 3,-0.2 -6,-0.1 -2,-0.1 -0.908 42.3-112.8-150.3 154.6 -12.4 15.6 61.7 26 26 A K S S+ 0 0 194 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.908 103.8 19.0 -62.1 -40.5 -9.1 15.5 63.6 27 27 A Q - 0 0 130 1,-0.1 -1,-0.2 -3,-0.1 -8,-0.2 -0.994 60.6-168.2-135.3 116.0 -7.5 18.6 62.0 28 28 A R S S+ 0 0 89 -2,-0.4 -9,-1.9 1,-0.2 2,-0.4 0.800 78.5 42.7 -75.6 -31.0 -9.7 21.2 60.1 29 29 A S B +F 18 0B 47 -11,-0.2 -11,-0.2 2,-0.0 -1,-0.2 -0.982 66.2 170.4-123.7 127.1 -6.8 23.0 58.5 30 30 A V - 0 0 18 -13,-1.5 2,-0.4 -2,-0.4 -13,-0.3 -0.378 23.5-125.9-116.8-171.7 -3.7 21.5 56.8 31 31 A Y + 0 0 122 -15,-0.2 2,-0.2 -2,-0.1 -15,-0.2 -0.975 31.0 155.7-146.7 136.3 -0.8 22.8 54.8 32 32 A I E -D 15 0B 11 -17,-2.1 -17,-1.4 -2,-0.4 2,-0.4 -0.698 36.7-117.0-141.7-172.4 0.5 21.7 51.4 33 33 A T E -D 14 0B 70 -2,-0.2 74,-0.4 -19,-0.2 2,-0.3 -0.958 33.0-171.8-134.9 140.8 2.5 22.8 48.4 34 34 A A E -D 13 0B 1 -21,-2.3 -21,-2.1 -2,-0.4 74,-0.2 -0.951 19.8-131.9-146.6 132.7 0.8 22.9 45.0 35 35 A L E -Dg 12 108B 1 72,-2.0 74,-2.7 -2,-0.3 2,-1.1 -0.471 26.1-123.1 -75.3 142.8 1.8 23.4 41.4 36 36 A L E - g 0 109B 1 -25,-2.6 2,-0.8 72,-0.2 74,-0.2 -0.715 35.5-166.7 -88.2 96.3 -0.2 25.9 39.2 37 37 A D > + 0 0 0 72,-1.7 3,-1.6 -2,-1.1 74,-0.4 -0.667 23.3 176.6 -95.5 106.6 -1.3 23.6 36.3 38 38 A T T 3 S+ 0 0 0 -2,-0.8 -1,-0.2 1,-0.3 123,-0.1 0.769 87.7 54.4 -74.4 -25.6 -2.7 25.1 33.1 39 39 A G T 3 S+ 0 0 24 121,-0.1 2,-0.7 96,-0.1 -1,-0.3 0.231 91.8 97.6 -87.2 12.0 -3.0 21.8 31.3 40 40 A A < - 0 0 7 -3,-1.6 71,-3.8 1,-0.2 72,-0.3 -0.888 52.1-174.9-105.2 103.0 -5.0 20.7 34.4 41 41 A D S S+ 0 0 72 -2,-0.7 71,-0.7 69,-0.2 2,-0.2 0.965 75.2 37.5 -56.5 -46.9 -8.8 21.0 33.8 42 42 A D S S- 0 0 62 69,-0.2 2,-0.5 68,-0.1 69,-0.2 -0.638 80.4-121.1-110.0 158.8 -9.3 20.0 37.5 43 43 A T - 0 0 2 -2,-0.2 57,-1.5 67,-0.2 2,-0.4 -0.862 35.6-178.8 -98.3 124.3 -7.7 20.7 40.9 44 44 A V E -hI 100 108B 5 64,-1.6 64,-2.5 -2,-0.5 2,-0.4 -0.999 17.8-152.7-135.9 125.8 -6.6 17.4 42.5 45 45 A I E -h 101 0B 4 55,-2.1 57,-0.9 -2,-0.4 62,-0.2 -0.869 32.8-110.4 -95.9 128.4 -4.9 17.0 45.9 46 46 A S E >> -h 102 0B 1 -2,-0.4 3,-1.7 55,-0.2 4,-0.8 -0.221 19.1-122.4 -57.8 152.0 -2.7 13.9 46.2 47 47 A E T 34 S+ 0 0 119 55,-1.7 56,-0.1 1,-0.3 -1,-0.1 0.729 110.4 66.4 -70.7 -18.5 -3.9 11.1 48.4 48 48 A E T 34 S+ 0 0 162 56,-0.3 -1,-0.3 54,-0.2 -2,-0.1 0.428 110.8 35.2 -79.0 -3.6 -0.7 11.3 50.5 49 49 A D T <4 S+ 0 0 51 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.2 0.305 95.9 97.8-122.5 -11.7 -1.8 14.9 51.6 50 50 A W S < S- 0 0 24 -4,-0.8 2,-0.4 52,-0.1 51,-0.0 -0.752 84.2-111.9 -83.8 129.3 -5.5 14.2 51.8 51 51 A P > - 0 0 23 0, 0.0 3,-3.1 0, 0.0 -3,-0.1 -0.474 13.8-131.4 -71.8 125.1 -6.6 13.4 55.4 52 52 A T T 3 S+ 0 0 156 -2,-0.4 -2,-0.0 1,-0.3 -5,-0.0 0.500 106.6 49.0 -47.4 -11.6 -7.7 9.9 56.1 53 53 A D T 3 S+ 0 0 57 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.586 79.7 99.9-108.2 -16.4 -10.7 11.2 57.8 54 54 A W S < S- 0 0 7 -3,-3.1 -29,-0.1 1,-0.1 -4,-0.0 -0.659 80.1-120.3 -72.8 114.3 -12.0 13.8 55.4 55 55 A P - 0 0 27 0, 0.0 22,-1.6 0, 0.0 23,-0.5 0.026 30.1-166.1 -56.2 162.5 -14.9 11.9 53.6 56 56 A V E -J 76 0B 39 20,-0.3 20,-0.2 21,-0.2 2,-0.2 -0.985 8.5-174.5-149.8 156.2 -15.1 11.2 49.9 57 57 A M E -J 75 0B 77 18,-2.5 18,-2.1 -2,-0.3 2,-0.4 -0.489 46.1 -54.5-135.9-166.2 -17.7 10.0 47.3 58 58 A E E -J 74 0B 157 16,-0.2 16,-0.2 -2,-0.2 -1,-0.0 -0.692 41.0-143.2 -80.8 135.6 -17.8 9.0 43.6 59 59 A A E - 0 0 13 14,-0.7 -1,-0.1 -2,-0.4 15,-0.1 0.353 35.3-110.1 -84.0 7.4 -16.4 11.7 41.1 60 60 A A E S+ 0 0 103 15,-0.1 -1,-0.1 2,-0.0 14,-0.0 0.128 109.9 49.3 88.0 -26.2 -18.8 11.3 38.1 61 61 A N E S- 0 0 107 12,-0.1 -2,-0.1 1,-0.0 12,-0.1 -0.914 89.3-133.9-144.7 117.1 -16.1 9.8 36.0 62 62 A P E S+ 0 0 83 0, 0.0 11,-2.2 0, 0.0 2,-0.3 0.672 79.9 16.6 -45.6 -28.7 -14.2 6.9 37.8 63 63 A Q E -J 72 0B 91 9,-0.3 2,-0.4 -4,-0.0 7,-0.0 -0.913 61.4-129.9-149.4 171.4 -10.9 8.2 36.8 64 64 A I E -J 71 0B 27 7,-3.2 7,-3.3 -2,-0.3 2,-0.3 -0.948 26.9-150.2-115.8 145.4 -8.6 11.0 35.5 65 65 A H E +J 70 0B 149 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.825 26.7 144.2-118.3 155.5 -6.2 10.5 32.7 66 66 A G - 0 0 22 3,-2.8 127,-0.1 -2,-0.3 125,-0.0 -0.506 64.6 -33.9-146.1-133.1 -2.9 12.2 31.9 67 67 A I S S+ 0 0 20 1,-0.2 126,-0.2 -2,-0.2 3,-0.1 0.937 134.8 35.2 -69.5 -59.5 0.4 11.1 30.4 68 68 A G S S- 0 0 31 126,-0.2 2,-0.3 1,-0.2 125,-0.3 0.764 123.8 -97.3 -70.9 -24.3 0.7 7.6 31.5 69 69 A G - 0 0 28 123,-0.6 -3,-2.8 125,-0.1 2,-0.3 -0.996 67.6 -13.5 145.9-148.4 -3.0 7.0 31.2 70 70 A G E -J 65 0B 32 -2,-0.3 -5,-0.3 -5,-0.3 123,-0.1 -0.675 48.1-165.4 -93.7 150.0 -5.9 7.1 33.7 71 71 A I E -J 64 0B 22 -7,-3.3 -7,-3.2 -2,-0.3 2,-0.1 -0.966 34.8-100.2-131.8 136.8 -5.6 7.1 37.5 72 72 A P E -J 63 0B 95 0, 0.0 31,-0.5 0, 0.0 2,-0.4 -0.440 42.4-164.4 -61.1 138.4 -8.6 6.3 39.8 73 73 A V E - 0 0 5 -11,-2.2 -14,-0.7 -2,-0.1 2,-0.3 -0.965 12.7-175.3-131.2 131.6 -10.2 9.5 41.2 74 74 A R E -JK 58 101B 101 27,-2.5 27,-2.1 -2,-0.4 2,-0.3 -0.779 23.5-123.5-114.5 167.9 -12.6 10.0 44.1 75 75 A K E -JK 57 100B 66 -18,-2.1 -18,-2.5 -2,-0.3 25,-0.2 -0.874 20.8-102.7-118.6 155.4 -14.2 13.4 45.2 76 76 A S E -J 56 0B 0 23,-3.3 -20,-0.3 -2,-0.3 4,-0.1 -0.478 22.7-162.3 -69.1 141.4 -14.4 15.4 48.3 77 77 A R S S+ 0 0 127 -22,-1.6 2,-0.3 -2,-0.2 -21,-0.2 0.660 74.7 54.3 -98.1 -25.0 -17.6 15.1 50.2 78 78 A D S S- 0 0 23 -23,-0.5 2,-0.5 -57,-0.1 -59,-0.0 -0.710 96.4-104.8-102.7 163.5 -17.2 18.2 52.3 79 79 A M - 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