==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-05 2BHG . COMPND 2 MOLECULE: FOOT-AND-MOUTH DISEASE VIRUS 3C PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FOOT-AND-MOUTH DISEASE VIRUS; . AUTHOR J.R.BIRTLEY,P.BRICK,S.CURRY . 378 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 41.8 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 . 42 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 0 0 2 2 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 6 5 5 3 0 4 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 . 3 0 0 0 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 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 7 A D > 0 0 124 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -53.4 5.3 28.8 18.5 2 8 A L H > + 0 0 26 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 360.0 52.0 -67.3 -41.0 8.4 26.5 18.3 3 9 A Q H > S+ 0 0 42 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.924 109.7 47.6 -61.0 -47.3 8.2 26.6 14.5 4 10 A K H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 112.6 50.1 -61.0 -43.0 8.2 30.4 14.4 5 11 A X H X S+ 0 0 61 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.920 114.1 43.7 -61.3 -46.8 11.1 30.6 16.8 6 12 A V H >X S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 4,-0.8 0.918 109.4 56.8 -65.5 -44.1 13.2 28.1 14.8 7 13 A X H >< S+ 0 0 15 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.852 101.4 58.3 -56.2 -35.6 12.2 29.8 11.5 8 14 A G H 3< S+ 0 0 64 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.724 108.1 46.0 -67.4 -20.7 13.6 33.0 13.0 9 15 A N H << S+ 0 0 11 -3,-1.7 20,-2.7 -4,-0.5 2,-0.5 0.524 94.8 96.9 -96.2 -9.3 17.0 31.2 13.5 10 16 A T E << -A 28 0A 2 -4,-0.8 18,-0.2 -3,-0.7 145,-0.1 -0.716 51.7-176.9 -90.7 126.8 17.0 29.7 10.0 11 17 A K E -A 27 0A 15 16,-2.8 16,-2.2 -2,-0.5 2,-0.2 -0.908 28.1-108.6-125.4 148.5 18.9 31.3 7.1 12 18 A P E -A 26 0A 16 0, 0.0 40,-2.9 0, 0.0 2,-0.4 -0.499 31.9-160.4 -74.6 138.2 19.4 30.6 3.4 13 19 A V E -AB 25 51A 0 12,-3.1 12,-2.3 38,-0.2 2,-0.4 -0.958 10.2-174.1-122.0 139.7 22.8 29.4 2.3 14 20 A E E -AB 24 50A 32 36,-1.8 36,-3.0 -2,-0.4 2,-0.5 -0.999 11.7-153.4-132.3 126.9 24.2 29.4 -1.2 15 21 A L E -AB 23 49A 0 8,-3.1 7,-2.3 -2,-0.4 8,-1.1 -0.906 18.0-161.1-105.7 122.9 27.6 27.8 -2.0 16 22 A N E +AB 21 48A 19 32,-3.5 32,-1.7 -2,-0.5 31,-1.6 -0.848 20.6 169.0-117.6 144.9 29.6 29.2 -4.9 17 23 A L E > S+A 20 0A 58 3,-2.4 3,-3.2 -2,-0.4 29,-0.0 -0.975 76.9 1.0-140.5 146.0 32.4 28.1 -7.2 18 24 A D T 3 S- 0 0 157 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.739 129.8 -60.8 44.0 32.2 33.6 29.9 -10.4 19 25 A G T 3 S+ 0 0 83 1,-0.2 2,-0.4 29,-0.0 -1,-0.3 0.792 116.8 112.4 69.7 27.1 31.0 32.5 -9.8 20 26 A K E < S-A 17 0A 52 -3,-3.2 -3,-2.4 0, 0.0 2,-0.7 -0.998 73.3-119.7-134.9 134.7 28.3 29.9 -10.0 21 27 A T E +A 16 0A 86 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.588 31.5 176.7 -71.4 110.7 25.9 28.6 -7.3 22 28 A V E - 0 0 78 -7,-2.3 2,-0.3 -2,-0.7 -1,-0.2 0.614 64.1 -3.3 -93.0 -12.8 26.7 24.9 -7.2 23 29 A A E -A 15 0A 26 -8,-1.1 -8,-3.1 2,-0.0 2,-0.3 -0.959 57.0-154.5-171.7 155.2 24.3 24.2 -4.3 24 30 A I E +A 14 0A 39 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.926 22.3 148.2-133.6 158.8 22.0 25.8 -1.8 25 31 A C E -A 13 0A 0 -12,-2.3 -12,-3.1 -2,-0.3 2,-0.3 -0.913 40.4 -89.1-166.8-169.7 20.7 24.8 1.7 26 32 A C E -A 12 0A 0 127,-2.8 2,-0.4 -2,-0.3 89,-0.1 -0.825 21.6-149.9-116.4 158.0 19.6 26.1 5.0 27 33 A A E -A 11 0A 0 -16,-2.2 -16,-2.8 87,-0.3 2,-0.7 -0.999 10.6-152.8-127.1 128.2 21.6 27.0 8.1 28 34 A T E -AC 10 36A 0 8,-2.4 8,-2.8 -2,-0.4 -18,-0.2 -0.886 11.8-141.0-108.0 108.4 19.9 26.7 11.5 29 35 A G E + C 0 35A 0 -20,-2.7 6,-0.3 -2,-0.7 3,-0.1 -0.444 26.3 170.3 -66.1 132.9 21.2 29.0 14.2 30 36 A V E - 0 0 0 4,-2.2 63,-2.2 1,-0.4 64,-0.7 0.628 63.5 -17.8-115.6 -24.3 21.4 27.3 17.6 31 37 A F E > S- C 0 34A 29 3,-1.1 3,-3.1 61,-0.2 -1,-0.4 -0.903 108.6 -16.7-177.7 151.4 23.4 29.8 19.6 32 38 A G B 3 S-G 90 0B 31 58,-0.5 58,-3.0 1,-0.3 -3,-0.0 -0.205 124.6 -32.0 48.0-119.6 25.7 32.9 19.3 33 39 A T T 3 S+ 0 0 28 56,-0.2 51,-2.5 51,-0.2 2,-0.4 -0.096 109.3 119.3-119.0 31.8 26.9 32.8 15.7 34 40 A A E < -CD 31 83A 0 -3,-3.1 -4,-2.2 49,-0.2 -3,-1.1 -0.838 40.1-174.4-102.3 135.7 26.9 29.0 15.4 35 41 A Y E -CD 29 82A 17 47,-3.0 47,-3.5 -2,-0.4 2,-0.5 -0.982 26.0-127.6-132.3 140.2 24.7 27.2 12.8 36 42 A L E +CD 28 81A 1 -8,-2.8 -8,-2.4 -2,-0.4 45,-0.2 -0.733 41.1 172.3 -83.1 129.7 23.9 23.6 12.1 37 43 A V E - D 0 80A 0 43,-2.9 43,-3.1 -2,-0.5 2,-0.5 -0.900 42.0 -82.5-134.7 164.9 24.5 22.9 8.4 38 44 A P E >> - D 0 79A 0 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.554 33.6-155.2 -70.9 118.9 24.6 19.9 6.1 39 45 A R H 3> S+ 0 0 65 39,-2.7 4,-1.4 -2,-0.5 5,-0.2 0.878 89.5 63.5 -63.0 -37.4 28.1 18.2 6.5 40 46 A H H 34 S+ 0 0 80 38,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.829 111.7 38.3 -58.5 -29.4 28.0 16.6 3.1 41 47 A L H X4 S+ 0 0 27 -3,-0.7 3,-1.1 1,-0.1 -1,-0.2 0.871 117.4 48.0 -85.9 -42.5 27.9 20.1 1.6 42 48 A F H 3< S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.483 93.2 75.7 -80.5 0.5 30.3 21.8 4.0 43 49 A A T 3< S+ 0 0 47 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 0.677 92.1 69.7 -80.3 -17.0 32.9 19.1 3.8 44 50 A E S < S- 0 0 121 -3,-1.1 2,-0.3 -5,-0.2 -3,-0.0 -0.388 88.5-108.3 -93.5 173.8 33.8 20.5 0.4 45 51 A K - 0 0 146 -2,-0.1 2,-0.3 -30,-0.0 -2,-0.1 -0.822 29.6-171.4-107.3 145.2 35.5 23.8 -0.5 46 52 A Y - 0 0 28 -2,-0.3 12,-0.4 1,-0.1 -29,-0.2 -0.969 31.6-136.4-134.6 149.4 33.9 26.9 -2.0 47 53 A D S S- 0 0 101 -31,-1.6 2,-0.3 -2,-0.3 -30,-0.2 0.797 94.4 -3.3 -71.0 -26.6 35.2 30.1 -3.4 48 54 A K E -B 16 0A 85 -32,-1.7 -32,-3.5 9,-0.1 2,-0.4 -0.976 58.3-157.7-165.4 146.7 32.3 31.8 -1.5 49 55 A I E -BE 15 56A 1 7,-2.7 7,-1.7 -2,-0.3 2,-0.5 -0.997 13.3-146.7-132.8 134.4 29.3 31.1 0.6 50 56 A X E -BE 14 55A 31 -36,-3.0 -36,-1.8 -2,-0.4 2,-0.6 -0.859 10.2-170.1-100.7 129.1 26.3 33.4 1.1 51 57 A L E > S-BE 13 54A 8 3,-2.1 3,-2.1 -2,-0.5 -38,-0.2 -0.955 78.4 -27.2-120.3 109.7 24.5 33.3 4.5 52 58 A D T 3 S- 0 0 108 -40,-2.9 -1,-0.1 -2,-0.6 -39,-0.1 0.900 129.1 -46.9 52.5 42.4 21.2 35.2 4.4 53 59 A G T 3 S+ 0 0 56 -41,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.399 110.4 127.3 83.4 -4.7 22.6 37.4 1.6 54 60 A R E < -E 51 0A 86 -3,-2.1 -3,-2.1 1,-0.0 2,-0.3 -0.777 56.7-134.8 -90.6 120.8 26.0 38.0 3.4 55 61 A A E +E 50 0A 57 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.590 35.0 166.6 -76.2 129.5 29.0 37.1 1.2 56 62 A X E -E 49 0A 3 -7,-1.7 -7,-2.7 -2,-0.3 2,-0.3 -0.964 27.3-147.3-141.8 158.9 31.7 35.2 3.1 57 63 A T > - 0 0 59 -2,-0.3 3,-2.3 -9,-0.2 4,-0.1 -0.739 44.5 -96.1-116.8 167.6 34.8 33.1 2.4 58 64 A D G > S+ 0 0 67 -12,-0.4 3,-0.7 1,-0.3 -10,-0.1 0.588 120.6 70.8 -64.8 -4.4 35.9 30.1 4.5 59 65 A S G 3 S+ 0 0 78 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.396 88.0 65.5 -89.4 4.5 38.2 32.5 6.4 60 66 A D G < S+ 0 0 52 -3,-2.3 25,-2.3 1,-0.1 26,-0.5 0.365 111.5 14.5-103.3 1.0 35.1 34.0 8.0 61 67 A Y E < -F 84 0A 22 -3,-0.7 2,-0.3 23,-0.3 23,-0.2 -0.976 61.8-129.5-162.9 173.5 34.1 30.8 9.9 62 68 A R E -F 83 0A 165 21,-2.0 21,-3.3 -2,-0.3 2,-0.4 -0.969 17.2-147.4-132.2 147.4 35.0 27.4 11.2 63 69 A V E -F 82 0A 46 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.968 11.1-162.6-120.8 132.3 33.1 24.1 10.7 64 70 A F E -F 81 0A 41 17,-2.3 17,-2.1 -2,-0.4 2,-0.3 -0.868 5.7-147.7-114.6 147.3 33.1 21.3 13.3 65 71 A E - 0 0 88 -2,-0.3 2,-0.4 15,-0.2 15,-0.1 -0.842 4.7-143.3-114.0 150.9 32.1 17.7 12.9 66 72 A F - 0 0 20 13,-0.4 11,-2.2 -2,-0.3 2,-0.4 -0.938 14.4-170.7-112.8 133.5 30.5 15.2 15.3 67 73 A E E -H 76 0C 130 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.990 3.6-162.6-125.7 132.0 31.4 11.5 15.4 68 74 A I E -H 75 0C 56 7,-3.5 7,-3.0 -2,-0.4 2,-0.2 -0.946 21.2-120.0-118.3 133.7 29.6 8.9 17.4 69 75 A K + 0 0 84 -2,-0.4 2,-0.3 5,-0.2 5,-0.1 -0.472 42.0 161.5 -70.9 133.3 30.8 5.4 18.3 70 76 A V - 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