==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/PEPTIDE 13-OCT-09 2WV4 . COMPND 2 MOLECULE: PICORNAIN 3C; . SOURCE 2 ORGANISM_SCIENTIFIC: FOOT-AND-MOUTH DISEASE VIRUS; . AUTHOR P.A.ZUNSZAIN,S.R.KNOX,T.R.SWEENEY,J.YANG,N.ROQUE-ROSELL, . 415 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 43.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 . 1 0.2 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 . 46 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0 0 1 1 1 1 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 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 0 PARALLEL BRIDGES PER LADDER . 3 4 6 6 4 3 2 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 . 1 0 0 0 0 0 2 0 0 0 0 0 0 0 1 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 94 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -60.6 1.0 0.3 0.8 2 8 A L H > + 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.948 360.0 54.6 -60.9 -45.5 -2.5 -1.2 1.3 3 9 A Q H > S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.900 110.2 44.9 -53.6 -45.2 -1.6 -2.1 4.9 4 10 A K H > S+ 0 0 36 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.877 110.2 56.0 -68.6 -36.5 -0.6 1.5 5.5 5 11 A M H X S+ 0 0 83 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.903 107.9 48.0 -61.0 -41.4 -3.7 2.8 3.8 6 12 A V H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.798 104.2 60.7 -70.5 -29.4 -5.8 0.7 6.2 7 13 A M H >< S+ 0 0 39 -4,-1.4 3,-0.5 -5,-0.2 -1,-0.2 0.893 102.3 53.0 -64.4 -38.7 -3.9 2.0 9.2 8 14 A G H 3< S+ 0 0 42 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.1 45.2 -66.9 -31.1 -5.0 5.5 8.4 9 15 A N H 3< S+ 0 0 10 -4,-0.9 20,-2.7 20,-0.1 2,-0.7 0.544 90.0 96.7 -89.1 -9.9 -8.7 4.6 8.3 10 16 A T E << -A 28 0A 1 -4,-0.9 18,-0.2 -3,-0.5 149,-0.1 -0.743 54.7-178.0 -87.2 114.3 -8.7 2.5 11.4 11 17 A K E -A 27 0A 55 16,-2.5 16,-1.7 -2,-0.7 103,-0.2 -0.858 26.7-111.7-114.0 146.9 -9.9 4.5 14.4 12 18 A P E -A 26 0A 29 0, 0.0 40,-2.4 0, 0.0 2,-0.4 -0.327 29.9-155.2 -72.4 157.2 -10.2 3.6 18.1 13 19 A V E -AB 25 51A 5 12,-2.0 12,-1.8 38,-0.2 2,-0.4 -0.998 12.5-179.3-139.9 134.5 -13.7 3.2 19.7 14 20 A E E -AB 24 50A 24 36,-1.6 36,-2.7 -2,-0.4 2,-0.5 -0.987 17.9-144.9-133.0 140.6 -14.9 3.5 23.3 15 21 A L E -AB 23 49A 2 8,-2.6 7,-2.3 -2,-0.4 8,-1.0 -0.915 18.1-159.7-105.4 131.0 -18.3 3.2 24.8 16 22 A I E +AB 21 48A 26 32,-2.8 31,-2.5 -2,-0.5 32,-1.5 -0.948 12.2 179.5-115.1 127.2 -19.0 5.5 27.7 17 23 A L E > S-A 20 0A 30 3,-3.3 3,-1.1 -2,-0.5 29,-0.1 -0.949 75.9 -22.3-128.8 111.8 -21.7 4.8 30.3 18 24 A D T 3 S- 0 0 134 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.904 128.9 -47.9 56.9 44.2 -22.1 7.3 33.2 19 25 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 29,-0.0 -1,-0.3 0.518 118.6 111.5 77.7 5.8 -18.6 8.5 32.8 20 26 A K E < S-A 17 0A 112 -3,-1.1 -3,-3.3 2,-0.0 2,-0.9 -0.932 71.9-124.2-116.4 135.1 -17.2 5.0 32.7 21 27 A T E +A 16 0A 54 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.663 33.4 174.3 -75.7 108.3 -15.6 3.3 29.6 22 28 A V E + 0 0 14 -7,-2.3 388,-2.7 -2,-0.9 2,-0.3 0.542 59.4 13.8 -94.7 -8.1 -17.7 0.1 29.4 23 29 A A E -AC 15 409A 0 -8,-1.0 -8,-2.6 386,-0.2 2,-0.3 -0.939 56.5-159.4-168.9 144.1 -16.3 -1.3 26.1 24 30 A I E +AC 14 408A 12 384,-2.3 384,-3.1 -2,-0.3 2,-0.3 -0.966 28.4 123.4-130.1 144.2 -13.4 -1.0 23.6 25 31 A C E -A 13 0A 1 -12,-1.8 -12,-2.0 -2,-0.3 91,-0.3 -0.941 46.4 -92.3-173.2-174.0 -12.9 -2.0 20.0 26 32 A C E -A 12 0A 0 131,-2.5 2,-0.3 -2,-0.3 133,-0.1 -0.674 18.3-151.5-115.9 171.8 -11.9 -0.6 16.5 27 33 A A E -A 11 0A 2 -16,-1.7 -16,-2.5 87,-0.3 2,-0.6 -0.993 11.0-144.6-142.3 134.5 -13.7 0.9 13.5 28 34 A T E -AD 10 36A 1 8,-2.2 8,-2.7 -2,-0.3 -18,-0.2 -0.892 14.3-139.4-106.2 114.9 -12.5 0.7 9.9 29 35 A G E + D 0 35A 0 -20,-2.7 6,-0.3 -2,-0.6 -20,-0.1 -0.484 25.5 172.0 -69.3 137.7 -13.3 3.7 7.7 30 36 A V E - 0 0 0 4,-2.7 63,-2.6 1,-0.4 64,-0.7 0.693 59.3 -21.2-117.6 -30.6 -14.4 2.7 4.2 31 37 A F E > S- D 0 34A 3 3,-1.0 3,-3.3 61,-0.2 -1,-0.4 -0.920 107.5 -15.7-174.9 153.1 -15.5 5.9 2.4 32 38 A G B 3 S-H 90 0B 29 58,-0.6 58,-1.8 1,-0.3 165,-0.0 -0.217 127.5 -30.0 47.1-119.4 -16.8 9.4 3.2 33 39 A T T 3 S+ 0 0 27 56,-0.2 51,-2.3 51,-0.1 2,-0.4 -0.200 107.6 125.8-118.9 36.9 -17.8 9.3 6.9 34 40 A A E < -DE 31 83A 0 -3,-3.3 -4,-2.7 49,-0.2 -3,-1.0 -0.852 35.4-177.0-103.0 131.5 -18.7 5.6 6.8 35 41 A Y E -DE 29 82A 22 47,-2.1 47,-3.9 -2,-0.4 2,-0.4 -0.984 23.3-136.5-131.6 137.7 -17.2 3.1 9.2 36 42 A L E +DE 28 81A 1 -8,-2.7 -8,-2.2 -2,-0.4 45,-0.2 -0.767 37.3 166.6 -87.9 134.0 -17.5 -0.7 9.5 37 43 A V E - E 0 80A 2 43,-2.3 43,-2.8 -2,-0.4 2,-0.3 -0.924 44.0 -81.9-142.9 165.7 -17.9 -1.7 13.2 38 44 A P E > - E 0 79A 0 0, 0.0 3,-0.9 0, 0.0 4,-0.3 -0.546 31.6-150.2 -72.4 131.4 -18.9 -4.8 15.2 39 45 A R G > S+ 0 0 100 39,-3.3 3,-1.8 -2,-0.3 4,-0.2 0.886 94.5 63.9 -70.0 -37.5 -22.6 -5.1 15.3 40 46 A H G > S+ 0 0 18 38,-0.3 3,-0.8 1,-0.3 -1,-0.2 0.560 84.8 82.0 -64.2 -3.9 -22.6 -6.8 18.7 41 47 A L G X S+ 0 0 4 -3,-0.9 3,-1.4 1,-0.2 -1,-0.3 0.880 84.5 55.8 -66.2 -39.5 -21.1 -3.6 19.9 42 48 A F G < S+ 0 0 60 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.498 86.4 78.3 -74.0 -4.2 -24.6 -2.0 20.2 43 49 A A G < S+ 0 0 82 -3,-0.8 -1,-0.3 -4,-0.2 2,-0.2 0.622 81.6 92.1 -77.5 -10.9 -25.8 -4.8 22.5 44 50 A E S < S- 0 0 54 -3,-1.4 2,-0.6 -4,-0.2 -21,-0.1 -0.513 84.1-118.2 -83.8 150.1 -23.9 -2.9 25.1 45 51 A K + 0 0 163 -2,-0.2 2,-0.3 -23,-0.1 -2,-0.1 -0.799 54.7 134.8 -92.1 122.0 -25.5 -0.2 27.3 46 52 A Y - 0 0 34 -2,-0.6 -29,-0.2 -4,-0.1 3,-0.1 -0.901 44.7-154.4-151.8 175.1 -23.9 3.2 26.8 47 53 A D S S+ 0 0 67 -31,-2.5 2,-0.3 1,-0.4 11,-0.2 0.426 81.8 39.0-135.1 -10.3 -24.9 6.8 26.3 48 54 A K E -B 16 0A 103 -32,-1.5 -32,-2.8 9,-0.1 2,-0.5 -0.996 63.0-156.3-145.8 136.7 -21.9 8.2 24.4 49 55 A I E -BF 15 56A 5 7,-3.4 7,-1.7 -2,-0.3 2,-0.5 -0.954 7.8-152.8-118.8 129.6 -19.7 6.7 21.7 50 56 A M E -BF 14 55A 49 -36,-2.7 -36,-1.6 -2,-0.5 2,-0.5 -0.889 11.5-178.1-105.2 122.3 -16.1 7.8 21.0 51 57 A L E > S-BF 13 54A 11 3,-2.7 3,-1.7 -2,-0.5 -38,-0.2 -0.947 74.6 -28.4-121.0 109.6 -14.7 7.5 17.5 52 58 A D T 3 S- 0 0 46 -40,-2.4 2,-1.7 -2,-0.5 -1,-0.2 0.963 128.1 -42.3 46.4 76.6 -11.0 8.6 17.2 53 59 A G T 3 S+ 0 0 62 -3,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.052 115.6 115.4 65.1 -30.0 -11.2 11.1 20.0 54 60 A R E < -F 51 0A 87 -2,-1.7 -3,-2.7 -3,-1.7 2,-0.3 -0.550 56.3-144.4 -78.3 133.3 -14.6 12.5 18.9 55 61 A A E +F 50 0A 51 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.764 26.3 165.7 -98.7 141.5 -17.6 12.0 21.3 56 62 A M E -F 49 0A 5 -7,-1.7 -7,-3.4 -2,-0.3 2,-0.2 -0.968 26.9-141.7-151.4 166.2 -21.2 11.3 20.0 57 63 A T > - 0 0 57 -2,-0.3 3,-2.4 -9,-0.2 -9,-0.1 -0.742 49.4 -87.7-121.8 169.7 -24.7 10.1 20.8 58 64 A D T 3 S+ 0 0 97 1,-0.3 3,-0.5 -2,-0.2 -10,-0.1 0.553 122.4 67.0 -58.7 -3.8 -27.1 8.0 18.8 59 65 A S T 3 S+ 0 0 88 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.553 86.5 66.6 -94.0 -7.7 -28.3 11.2 17.1 60 66 A D S < S+ 0 0 48 -3,-2.4 25,-1.6 25,-0.1 26,-0.4 0.222 109.9 13.3 -96.3 13.4 -25.0 11.9 15.3 61 67 A Y E -G 84 0A 13 -3,-0.5 2,-0.3 23,-0.3 23,-0.2 -0.990 61.4-125.0-173.9 169.3 -25.3 8.8 13.0 62 68 A R E -G 83 0A 51 21,-1.9 21,-2.5 -2,-0.3 2,-0.5 -0.904 21.3-142.7-124.4 152.3 -27.2 6.0 11.5 63 69 A V E -G 82 0A 61 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.978 10.8-161.4-122.9 124.3 -26.2 2.3 11.6 64 70 A F E -G 81 0A 51 17,-3.2 17,-2.9 -2,-0.5 2,-0.2 -0.888 8.1-149.7-106.8 131.7 -26.9 0.0 8.6 65 71 A E - 0 0 51 -2,-0.5 2,-0.5 15,-0.2 15,-0.1 -0.514 11.7-127.8 -93.1 163.5 -26.9 -3.8 9.0 66 72 A F - 0 0 18 11,-0.4 11,-3.0 13,-0.4 2,-0.6 -0.964 12.4-155.9-116.5 124.4 -25.9 -6.3 6.4 67 73 A E E -I 76 0C 74 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.877 19.7-170.4 -98.3 122.7 -28.3 -9.2 5.5 68 74 A I E -I 75 0C 39 7,-3.5 7,-3.2 -2,-0.6 2,-0.9 -0.922 28.6-109.3-122.2 145.9 -26.4 -12.1 4.0 69 75 A K E -I 74 0C 75 -2,-0.4 2,-0.9 5,-0.2 5,-0.3 -0.548 31.9-169.4 -72.1 102.6 -27.4 -15.4 2.3 70 76 A V E > S-I 73 0C 11 3,-2.1 3,-1.3 -2,-0.9 -1,-0.1 -0.808 74.9 -37.7 -98.7 98.3 -26.7 -18.2 4.7 71 77 A K T 3 S- 0 0 76 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.716 128.1 -40.9 59.3 23.0 -27.1 -21.5 2.8 72 78 A G T 3 S+ 0 0 66 1,-0.6 -1,-0.3 0, 0.0 -3,-0.0 -0.352 126.1 87.2 123.6 -51.7 -30.0 -19.8 1.0 73 79 A Q E < S-I 70 0C 117 -3,-1.3 -3,-2.1 -4,-0.1 -1,-0.6 -0.047 79.7-108.0 -71.7 178.6 -31.7 -18.0 3.9 74 80 A D E +I 69 0C 79 -5,-0.3 -5,-0.2 -3,-0.1 2,-0.2 -0.938 38.0 172.1-120.8 116.0 -30.8 -14.4 5.0 75 81 A M E -I 68 0C 54 -7,-3.2 -7,-3.5 -2,-0.5 2,-0.5 -0.696 35.7 -98.5-114.3 169.0 -29.0 -13.7 8.3 76 82 A L E -I 67 0C 79 -9,-0.2 -9,-0.2 -2,-0.2 2,-0.1 -0.778 31.9-134.6 -95.5 124.6 -27.5 -10.6 9.8 77 83 A S - 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