==== 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 2WV5 . 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, . 836 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 356 42.6 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 . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 22 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 . 1 0.1 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 . 115 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 6.6 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 0 0 1 0 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 0 9 10 8 9 4 5 11 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 0 0 0 0 0 6 2 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 0 117 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -58.4 5.4 -0.5 -10.6 2 8 A L H > + 0 0 16 2,-0.2 4,-3.2 1,-0.2 3,-0.4 0.970 360.0 48.9 -69.2 -52.9 8.3 0.8 -8.5 3 9 A Q H > S+ 0 0 91 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.851 115.4 45.5 -54.8 -35.2 6.6 0.2 -5.2 4 10 A K H > S+ 0 0 75 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.755 113.9 52.3 -77.0 -25.3 5.8 -3.3 -6.4 5 11 A M H X S+ 0 0 79 -4,-1.2 4,-0.8 -3,-0.4 -2,-0.2 0.902 111.2 42.7 -76.1 -44.7 9.4 -3.5 -7.6 6 12 A V H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 3,-0.4 0.847 108.6 58.5 -72.8 -34.7 11.0 -2.5 -4.3 7 13 A M H < S+ 0 0 30 -4,-1.6 3,-0.4 -5,-0.3 -1,-0.2 0.860 103.5 55.4 -64.0 -30.5 8.7 -4.6 -2.2 8 14 A G H < S+ 0 0 34 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.819 108.5 46.5 -70.6 -29.0 10.1 -7.5 -4.3 9 15 A N H < S+ 0 0 9 -4,-0.8 20,-2.3 -3,-0.4 2,-0.6 0.559 91.1 100.5 -88.2 -9.6 13.6 -6.6 -3.3 10 16 A T E < -A 28 0A 0 -4,-1.0 18,-0.2 -3,-0.4 149,-0.1 -0.690 50.9-178.9 -86.1 119.0 12.8 -6.2 0.4 11 17 A K E -A 27 0A 35 16,-2.4 16,-1.1 -2,-0.6 2,-0.2 -0.861 29.0-109.3-117.2 150.6 13.8 -9.2 2.5 12 18 A P E -A 26 0A 20 0, 0.0 40,-2.9 0, 0.0 2,-0.4 -0.564 30.7-156.1 -78.8 138.0 13.4 -9.8 6.2 13 19 A V E +AB 25 51A 3 12,-2.3 12,-2.2 -2,-0.2 2,-0.4 -0.960 12.4 179.6-121.2 133.0 16.5 -9.8 8.4 14 20 A E E -AB 24 50A 21 36,-2.2 36,-3.7 -2,-0.4 2,-0.6 -0.990 20.6-142.0-132.1 138.1 17.1 -11.5 11.7 15 21 A L E -AB 23 49A 0 8,-2.6 7,-2.8 -2,-0.4 8,-1.2 -0.889 20.3-155.4 -99.4 125.3 20.1 -11.6 14.0 16 22 A I E +AB 21 48A 29 32,-3.4 31,-2.8 -2,-0.6 32,-1.4 -0.876 17.3 173.8-106.0 133.8 20.6 -14.9 15.6 17 23 A L S S- 0 0 39 3,-2.7 3,-0.5 -2,-0.4 -2,-0.0 -0.843 76.1 -17.2-141.0 99.8 22.6 -15.3 18.9 18 24 A D S S- 0 0 61 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.939 126.1 -52.8 69.7 50.8 22.6 -18.8 20.5 19 25 A G S S+ 0 0 79 1,-0.2 2,-0.3 29,-0.0 -1,-0.2 0.439 118.8 108.0 68.0 -1.8 19.6 -20.1 18.5 20 26 A K S S- 0 0 52 -3,-0.5 -3,-2.7 0, 0.0 2,-0.8 -0.819 76.0-116.0-110.9 149.8 17.5 -17.1 19.6 21 27 A T E +A 16 0A 67 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.733 38.7 166.4 -82.1 109.6 16.4 -14.1 17.5 22 28 A V E + 0 0 32 -7,-2.8 791,-1.7 -2,-0.8 2,-0.3 0.686 61.0 27.1 -99.2 -21.4 18.1 -11.1 19.1 23 29 A A E -AC 15 812A 1 -8,-1.2 -8,-2.6 789,-0.2 2,-0.4 -1.000 57.4-167.4-145.7 144.3 17.4 -8.5 16.3 24 30 A I E +AC 14 811A 13 787,-2.0 787,-2.7 -2,-0.3 2,-0.2 -0.995 27.2 126.1-131.9 135.0 14.9 -7.8 13.6 25 31 A C E -A 13 0A 0 -12,-2.2 -12,-2.3 -2,-0.4 91,-0.3 -0.860 46.2 -91.8-161.7-166.3 15.0 -5.3 10.7 26 32 A C E -A 12 0A 0 131,-3.0 2,-0.3 -2,-0.2 133,-0.1 -0.633 18.3-151.5-117.4 176.7 14.7 -5.1 6.9 27 33 A A E -A 11 0A 0 -16,-1.1 -16,-2.4 87,-0.3 2,-0.6 -0.962 5.8-154.3-150.6 130.6 17.0 -5.3 3.9 28 34 A T E -AD 10 36A 0 8,-2.5 8,-3.1 -2,-0.3 2,-0.3 -0.910 14.3-143.7-113.5 107.8 16.5 -3.6 0.5 29 35 A G E + D 0 35A 0 -20,-2.3 6,-0.3 -2,-0.6 3,-0.1 -0.512 23.0 172.7 -71.4 131.2 18.2 -5.3 -2.5 30 36 A V E - 0 0 0 4,-1.9 63,-2.9 1,-0.4 64,-0.8 0.738 61.2 -21.4-106.6 -35.1 19.6 -2.9 -5.1 31 37 A F E > S- D 0 34A 12 3,-1.2 3,-3.5 61,-0.2 -1,-0.4 -0.978 106.1 -11.5-170.2 161.0 21.5 -5.2 -7.5 32 38 A G T 3 S- 0 0 37 58,-0.4 58,-1.5 -2,-0.3 165,-0.0 -0.177 125.0 -33.9 45.9-114.6 23.2 -8.5 -7.8 33 39 A T T 3 S+ 0 0 26 56,-0.2 51,-2.9 51,-0.2 2,-0.5 -0.263 110.1 121.0-128.2 38.3 23.4 -9.9 -4.3 34 40 A A E < -DE 31 83A 0 -3,-3.5 -4,-1.9 49,-0.3 -3,-1.2 -0.910 39.6-174.8-108.7 132.2 23.9 -6.5 -2.8 35 41 A Y E -DE 29 82A 15 47,-2.0 47,-3.8 -2,-0.5 2,-0.5 -0.954 25.0-129.7-128.9 147.4 21.5 -5.2 -0.2 36 42 A L E +DE 28 81A 0 -8,-3.1 -8,-2.5 -2,-0.4 45,-0.2 -0.835 41.9 163.7 -92.0 126.5 21.1 -1.9 1.6 37 43 A V E - E 0 80A 1 43,-2.9 43,-2.5 -2,-0.5 2,-0.2 -0.927 45.6 -80.1-140.4 165.2 20.8 -2.4 5.4 38 44 A P E > - E 0 79A 1 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.486 31.8-151.8 -67.5 129.0 21.1 -0.5 8.6 39 45 A R G > S+ 0 0 56 39,-2.3 3,-1.5 1,-0.2 4,-0.3 0.898 94.6 64.7 -68.6 -38.0 24.8 -0.1 9.5 40 46 A H G > S+ 0 0 9 1,-0.3 3,-0.7 38,-0.2 -1,-0.2 0.584 86.2 80.7 -60.7 -5.6 24.0 0.1 13.3 41 47 A L G X S+ 0 0 1 -3,-1.0 3,-1.6 1,-0.2 -1,-0.3 0.906 87.1 50.4 -65.3 -46.1 22.8 -3.5 12.7 42 48 A F G < S+ 0 0 47 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.465 92.9 76.9 -74.4 -0.4 26.3 -4.9 12.9 43 49 A A G < S+ 0 0 78 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.621 83.1 87.1 -82.1 -12.8 26.9 -3.1 16.1 44 50 A E S < S- 0 0 67 -3,-1.6 2,-0.7 -4,-0.2 -21,-0.0 -0.468 90.2-106.4 -85.9 159.1 24.8 -5.8 17.7 45 51 A K + 0 0 59 -2,-0.1 2,-0.3 -23,-0.1 -2,-0.1 -0.776 58.8 139.3 -90.4 113.1 26.1 -9.1 19.1 46 52 A Y - 0 0 22 -2,-0.7 -29,-0.2 -4,-0.1 3,-0.1 -0.916 42.5-159.8-144.7 167.5 25.2 -11.9 16.8 47 53 A D S S+ 0 0 54 -31,-2.8 2,-0.3 1,-0.4 -30,-0.2 0.398 83.7 32.7-130.0 -5.0 26.8 -15.1 15.4 48 54 A K E -B 16 0A 18 -32,-1.4 -32,-3.4 9,-0.1 2,-0.6 -0.964 64.9-149.5-154.8 132.8 24.4 -15.6 12.4 49 55 A I E -BF 15 56A 0 7,-3.3 7,-1.6 -2,-0.3 2,-0.6 -0.928 13.6-150.2-109.1 118.3 22.6 -13.2 10.1 50 56 A M E -BF 14 55A 47 -36,-3.7 -36,-2.2 -2,-0.6 2,-0.6 -0.774 15.8-178.5 -89.5 116.4 19.3 -14.4 8.7 51 57 A L E > S-BF 13 54A 7 3,-2.7 3,-2.0 -2,-0.6 -38,-0.2 -0.955 73.1 -26.1-119.6 112.5 18.5 -12.9 5.3 52 58 A D T 3 S- 0 0 85 -40,-2.9 -1,-0.1 -2,-0.6 -39,-0.1 0.847 128.5 -47.4 55.0 36.9 15.2 -14.0 3.8 53 59 A G T 3 S+ 0 0 56 -41,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.418 114.7 118.3 87.6 -2.5 15.3 -17.3 5.7 54 60 A R E < -F 51 0A 87 -3,-2.0 -3,-2.7 2,-0.0 2,-0.3 -0.883 57.9-141.3-102.6 119.3 19.0 -18.0 4.8 55 61 A A E +F 50 0A 66 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.619 27.9 174.7 -80.5 132.4 21.4 -18.2 7.7 56 62 A M E -F 49 0A 3 -7,-1.6 -7,-3.3 -2,-0.3 2,-0.2 -0.971 20.7-147.7-138.8 153.3 24.8 -16.6 7.0 57 63 A T > - 0 0 61 -2,-0.3 3,-2.3 -9,-0.2 4,-0.2 -0.683 43.1 -90.7-112.6 168.4 28.0 -15.9 8.9 58 64 A D G > S+ 0 0 78 1,-0.3 3,-1.0 -2,-0.2 -10,-0.0 0.741 121.8 63.7 -53.0 -26.9 30.4 -13.0 8.4 59 65 A S G 3 S+ 0 0 45 1,-0.2 -1,-0.3 201,-0.1 201,-0.1 0.389 92.6 68.4 -80.6 7.5 32.6 -15.0 5.9 60 66 A D G < S+ 0 0 52 -3,-2.3 25,-2.7 199,-0.1 26,-0.5 0.513 107.5 14.6-101.8 -8.2 29.6 -15.1 3.6 61 67 A Y E < -G 84 0A 11 -3,-1.0 2,-0.3 23,-0.3 23,-0.2 -0.928 63.3-124.6-155.1 175.8 29.4 -11.4 2.6 62 68 A R E -G 83 0A 23 21,-1.8 21,-2.8 -2,-0.3 2,-0.6 -0.959 16.0-149.1-127.7 144.5 31.1 -8.0 2.6 63 69 A V E -G 82 0A 52 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.917 12.1-167.9-119.9 106.4 29.8 -4.8 4.1 64 70 A F E -G 81 0A 47 17,-2.1 17,-2.5 -2,-0.6 2,-0.3 -0.724 12.5-144.8 -90.9 144.1 30.9 -1.6 2.4 65 71 A E E -G 80 0A 62 -2,-0.3 2,-0.4 15,-0.2 15,-0.1 -0.826 4.1-135.1-110.6 148.6 30.2 1.7 4.2 66 72 A F E - 0 0 19 13,-0.6 11,-2.6 -2,-0.3 2,-0.5 -0.867 14.8-157.2-102.3 134.5 29.2 5.0 2.7 67 73 A E E -G 76 0A 64 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.946 9.4-161.4-113.7 127.3 30.9 8.1 3.9 68 74 A I E -G 75 0A 41 7,-3.0 7,-2.9 -2,-0.5 2,-0.5 -0.911 20.8-118.1-116.9 137.5 29.2 11.5 3.5 69 75 A K E +G 74 0A 80 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.546 35.8 171.5 -71.8 115.0 30.6 15.0 3.7 70 76 A V S S- 0 0 13 3,-2.4 3,-0.3 -2,-0.5 -1,-0.0 -0.859 71.2 -26.2-130.6 98.5 29.1 17.0 6.5 71 77 A K S S- 0 0 88 -2,-0.4 2,-1.6 1,-0.2 -1,-0.1 0.989 122.4 -50.1 63.5 62.7 30.7 20.4 7.2 72 78 A G S S+ 0 0 63 -3,-0.1 -1,-0.2 1,-0.0 270,-0.0 -0.587 124.2 80.0 83.9 -83.2 34.1 19.6 5.9 73 79 A Q S S- 0 0 24 -2,-1.6 -3,-2.4 -3,-0.3 2,-0.3 -0.156 80.3-119.6 -58.1 149.4 34.8 16.3 7.7 74 80 A D E - 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