==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-12 3ZFR . COMPND 2 MOLECULE: N-TERMINAL PROTEASE NPRO; . SOURCE 2 ORGANISM_SCIENTIFIC: PESTIVIRUS STRAIN D32/00_HOBI; . AUTHOR T.ZOGG,M.SPONRING,S.SCHINDLER,M.KOLL,R.SCHNEIDER,H.BRANDSTET . 148 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 30.4 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 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 11 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 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 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 . 3 0 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 21 A M 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.7 15.8 11.9 8.4 2 22 A E - 0 0 18 1,-0.1 12,-0.1 12,-0.1 102,-0.0 -0.354 360.0-117.7 -60.6 132.1 12.2 10.7 8.7 3 23 A P - 0 0 10 0, 0.0 76,-0.4 0, 0.0 77,-0.3 -0.302 16.4-134.5 -74.2 155.4 10.3 12.3 11.7 4 24 A L - 0 0 13 74,-0.1 8,-3.1 75,-0.1 9,-0.6 -0.714 17.2-144.2 -96.3 153.7 8.9 10.5 14.7 5 25 A Y B -AB 11 77A 5 72,-2.7 72,-2.0 -2,-0.3 6,-0.2 -0.961 7.1-131.2-121.7 143.3 5.4 11.3 16.2 6 26 A D > - 0 0 44 4,-2.6 3,-2.2 -2,-0.4 69,-0.1 -0.318 41.6 -92.6 -83.8 169.6 4.1 11.4 19.7 7 27 A K T 3 S+ 0 0 92 67,-0.5 24,-0.5 1,-0.3 22,-0.1 0.513 125.9 59.6 -67.1 -13.6 0.9 9.6 20.8 8 28 A N T 3 S- 0 0 142 2,-0.1 -1,-0.3 22,-0.1 3,-0.1 0.313 120.6-108.2 -85.3 3.6 -1.1 12.7 20.1 9 29 A G S < S+ 0 0 42 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.518 72.6 143.3 85.3 2.8 -0.0 12.6 16.5 10 30 A A - 0 0 47 1,-0.1 -4,-2.6 6,-0.0 -1,-0.3 -0.616 55.7-116.0 -77.6 134.2 2.3 15.7 16.9 11 31 A V B -A 5 0A 44 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.487 17.1-154.9 -68.3 137.1 5.5 15.6 15.0 12 32 A L S S- 0 0 80 -8,-3.1 2,-0.3 1,-0.3 -7,-0.1 0.589 74.9 -5.6 -94.2 -14.8 8.6 15.5 17.3 13 33 A F S S+ 0 0 74 -9,-0.6 -1,-0.3 2,-0.0 -9,-0.0 -0.937 112.6 17.6-166.2 166.7 11.0 17.0 14.8 14 34 A G S S- 0 0 53 -2,-0.3 -3,-0.1 -3,-0.1 -12,-0.1 -0.202 100.6 -42.5 64.2-154.2 11.0 18.0 11.1 15 35 A E - 0 0 153 1,-0.0 -3,-0.1 -3,-0.0 2,-0.0 -0.866 59.6-110.7-111.0 146.8 7.7 18.5 9.2 16 36 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.303 29.7-166.5 -72.8 148.8 4.6 16.4 9.4 17 37 A S - 0 0 39 -14,-0.0 2,-0.2 -2,-0.0 62,-0.0 -0.940 18.6-120.0-128.3 161.6 3.4 14.2 6.5 18 38 A D - 0 0 149 -2,-0.3 2,-0.2 1,-0.1 88,-0.0 -0.602 29.0-112.7 -96.4 159.5 0.2 12.4 5.9 19 39 A T - 0 0 27 -2,-0.2 61,-0.1 1,-0.1 8,-0.1 -0.560 41.3 -88.4 -87.5 160.0 -0.1 8.6 5.4 20 40 A H > - 0 0 57 -2,-0.2 3,-1.6 87,-0.2 5,-0.1 -0.379 34.6-125.6 -62.4 141.2 -1.1 7.1 2.1 21 41 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.818 111.4 49.7 -63.1 -25.5 -4.9 6.8 1.9 22 42 A Q T 3 S+ 0 0 107 79,-0.0 2,-0.1 4,-0.0 -2,-0.1 0.309 85.7 115.7 -94.6 5.9 -4.6 3.0 1.2 23 43 A S S < S- 0 0 2 -3,-1.6 78,-0.2 2,-0.2 123,-0.1 -0.441 74.9-127.3 -65.6 151.3 -2.2 2.4 4.2 24 44 A T S S+ 0 0 32 76,-2.1 123,-2.1 121,-0.3 2,-0.7 0.627 93.9 89.6 -77.2 -12.4 -3.5 0.2 7.0 25 45 A L - 0 0 1 75,-0.6 2,-0.5 121,-0.3 -2,-0.2 -0.830 63.7-171.6 -83.3 117.6 -2.6 3.1 9.3 26 46 A K - 0 0 101 -2,-0.7 -2,-0.0 -4,-0.1 -6,-0.0 -0.971 21.0-125.6-113.9 117.7 -5.7 5.4 9.5 27 47 A L S S+ 0 0 63 -2,-0.5 2,-0.1 -8,-0.1 -8,-0.1 -0.887 78.1 48.0-123.0 150.8 -5.1 8.7 11.2 28 48 A P S S+ 0 0 134 0, 0.0 -19,-0.1 0, 0.0 -20,-0.0 0.456 78.4 142.0 -74.5 161.2 -6.0 10.5 13.4 29 49 A H - 0 0 46 -2,-0.1 30,-0.0 -22,-0.1 -20,-0.0 -0.925 45.2-117.3-167.0 130.5 -6.2 7.8 16.0 30 50 A P + 0 0 103 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.274 38.8 152.8 -71.6 160.8 -5.4 7.4 19.6 31 51 A R + 0 0 21 -24,-0.5 41,-0.1 43,-0.1 43,-0.0 -0.968 30.0 78.0-162.2 172.5 -2.8 5.2 21.1 32 52 A G + 0 0 9 -2,-0.3 3,-0.1 2,-0.3 42,-0.1 0.727 38.2 132.9 100.5 22.4 -0.6 4.8 24.1 33 53 A E S S- 0 0 148 1,-0.3 2,-0.3 40,-0.1 41,-0.1 0.912 88.7 -11.1 -66.4 -41.5 -2.7 3.5 26.9 34 54 A K - 0 0 125 39,-0.1 2,-0.7 2,-0.0 -2,-0.3 -0.974 67.7-112.8-150.3 153.9 0.1 0.9 27.5 35 55 A E - 0 0 107 -2,-0.3 2,-0.6 38,-0.2 38,-0.2 -0.872 43.7-176.0 -83.8 114.8 3.3 -0.4 25.8 36 56 A V E -C 72 0B 14 36,-2.4 35,-2.3 -2,-0.7 36,-0.8 -0.897 11.6-159.0-123.2 105.9 2.2 -4.0 25.0 37 57 A I E -C 70 0B 96 -2,-0.6 2,-0.3 33,-0.2 33,-0.3 -0.604 15.6-175.5 -79.4 140.4 4.7 -6.3 23.5 38 58 A V E -C 69 0B 9 31,-2.7 31,-0.7 -2,-0.3 2,-0.1 -0.974 24.7-114.5-134.4 154.7 3.3 -9.4 21.6 39 59 A G > - 0 0 41 -2,-0.3 3,-1.8 1,-0.1 29,-0.1 -0.468 32.8-113.2 -74.5 156.9 4.6 -12.4 19.9 40 60 A I G > S+ 0 0 51 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.764 120.7 56.2 -64.4 -24.9 4.2 -12.9 16.1 41 61 A R G 3 S+ 0 0 232 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.591 109.5 49.2 -74.2 -12.5 1.9 -15.9 16.9 42 62 A D G < S+ 0 0 93 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 -0.051 73.2 152.8-120.0 29.0 -0.1 -13.4 18.9 43 63 A L < - 0 0 29 -3,-0.7 18,-0.1 1,-0.1 -3,-0.1 -0.460 51.4 -98.4 -71.5 142.9 -0.7 -10.5 16.7 44 64 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.080 35.4-129.4 -64.2 163.3 -3.9 -8.5 17.5 45 65 A R > - 0 0 173 15,-0.0 3,-1.4 103,-0.0 2,-0.8 -0.659 22.5-110.2-102.7 156.9 -7.3 -8.9 15.7 46 66 A K T 3 S+ 0 0 174 -2,-0.2 102,-0.0 1,-0.2 14,-0.0 -0.894 119.5 57.1 -78.5 118.4 -9.7 -6.5 14.1 47 67 A G T 3 S+ 0 0 63 -2,-0.8 4,-0.4 6,-0.0 3,-0.2 -0.243 93.5 72.6 137.4 -38.3 -12.1 -7.3 16.9 48 68 A D <> + 0 0 24 -3,-1.4 4,-2.7 1,-0.2 10,-0.2 0.619 66.4 92.4 -86.4 -15.9 -9.6 -6.2 19.5 49 69 A C T 4 S+ 0 0 42 -4,-0.3 9,-0.5 1,-0.2 -1,-0.2 0.801 98.4 22.3 -49.8 -54.5 -9.6 -2.4 19.2 50 70 A R T 4 S+ 0 0 252 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.814 131.9 40.3 -86.1 -42.1 -12.2 -1.2 21.8 51 71 A T T 4 S- 0 0 123 -4,-0.4 2,-0.2 1,-0.2 -2,-0.2 0.834 93.8-146.7 -67.9 -38.4 -12.2 -4.3 24.1 52 72 A G < - 0 0 7 -4,-2.7 2,-0.3 6,-0.1 -1,-0.2 -0.566 23.0-106.1 79.4-169.6 -8.4 -4.9 24.0 53 73 A N B > -G 56 0C 45 3,-1.8 3,-1.4 -2,-0.2 -6,-0.0 -0.761 43.3 -74.0-137.1-170.2 -7.6 -8.6 24.3 54 74 A R T 3 S+ 0 0 265 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.780 129.6 59.3 -60.9 -26.6 -6.3 -10.6 27.2 55 75 A L T 3 S- 0 0 84 1,-0.3 -1,-0.2 -19,-0.0 -18,-0.1 0.616 118.0 -97.8 -78.8 -14.3 -2.8 -9.1 26.6 56 76 A G B < -G 53 0C 24 -3,-1.4 -3,-1.8 -20,-0.1 -1,-0.3 -0.818 68.7 -4.6 130.9-164.8 -4.1 -5.5 27.2 57 77 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 14,-0.1 -0.153 57.3-149.5 -63.4 154.1 -5.2 -2.4 25.2 58 78 A V + 0 0 10 -9,-0.5 14,-0.2 -10,-0.2 -6,-0.1 -0.994 31.2 162.5-134.2 117.4 -4.9 -2.5 21.4 59 79 A S - 0 0 5 12,-2.6 89,-1.3 -2,-0.4 2,-0.3 0.407 69.7 -86.8-106.4 -5.5 -4.3 0.6 19.2 60 80 A G E -D 147 0B 3 11,-1.3 2,-0.4 87,-0.3 -1,-0.3 -0.998 68.2 -35.1 141.2-131.7 -3.3 -1.7 16.2 61 81 A L E -D 146 0B 9 85,-2.2 84,-2.4 -2,-0.3 85,-1.7 -0.991 46.3-179.3-137.1 125.0 0.1 -3.1 15.2 62 82 A F E -DE 144 70B 0 8,-2.2 8,-2.5 -2,-0.4 2,-0.3 -0.967 8.6-178.4-118.7 147.8 3.6 -1.6 15.6 63 83 A V E +DE 143 69B 0 80,-2.3 80,-2.9 -2,-0.3 6,-0.2 -0.998 11.5 171.8-149.1 147.6 6.9 -3.2 14.6 64 84 A K E > - E 0 68B 26 4,-1.7 4,-2.1 -2,-0.3 73,-0.1 -0.953 49.9 -67.1-143.6 167.1 10.7 -2.6 14.7 65 85 A P T 4 S+ 0 0 38 0, 0.0 53,-0.1 0, 0.0 70,-0.1 -0.139 109.5 55.6 -55.1 147.4 13.7 -4.7 13.8 66 86 A G T 4 S- 0 0 68 51,-0.4 2,-0.1 1,-0.2 52,-0.1 -0.313 125.3 -95.5 154.8 -61.7 14.4 -7.7 16.1 67 87 A P T 4 S+ 0 0 46 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.638 70.5 170.9 -80.0 152.5 11.6 -8.2 15.2 68 88 A V E < - E 0 64B 42 -4,-2.1 -4,-1.7 -2,-0.1 2,-0.4 -0.998 12.7-162.9-125.7 122.6 9.6 -6.8 18.1 69 89 A F E -CE 38 63B 8 -31,-0.7 -31,-2.7 -2,-0.4 2,-0.4 -0.851 6.3-174.0-106.6 143.3 5.9 -6.5 17.7 70 90 A Y E -CE 37 62B 7 -8,-2.5 -8,-2.2 -2,-0.4 -33,-0.2 -0.994 24.6-162.5-133.2 148.3 3.5 -4.4 19.8 71 91 A Q E S+ 0 0 0 -35,-2.3 -12,-2.6 -2,-0.4 -11,-1.3 0.597 89.6 15.3-103.0 -10.9 -0.3 -4.0 20.0 72 92 A D E -C 36 0B 4 -36,-0.8 -36,-2.4 -14,-0.2 -1,-0.3 -0.969 68.2-179.7-151.1 157.1 -0.0 -0.7 21.8 73 93 A Y - 0 0 20 -2,-0.3 -38,-0.2 -38,-0.2 -40,-0.1 -0.966 15.1-168.9-157.9 141.6 2.8 1.7 22.2 74 94 A S + 0 0 35 -2,-0.3 -67,-0.5 -42,-0.1 3,-0.1 0.597 62.2 72.2-110.2 -24.5 3.2 5.0 24.0 75 95 A G S S- 0 0 22 1,-0.2 -70,-0.1 -69,-0.1 -2,-0.1 -0.105 97.6 -44.9 -86.7-169.9 6.5 6.5 22.9 76 96 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.253 63.6 178.3 -55.8 137.9 7.7 8.1 19.7 77 97 A V B -B 5 0A 0 -72,-2.0 -72,-2.7 64,-0.1 2,-0.4 -0.968 29.3-113.8-135.6 154.1 6.8 6.1 16.5 78 98 A Y B -f 143 0B 0 64,-2.9 66,-2.8 -2,-0.3 -74,-0.1 -0.770 12.7-168.2 -78.1 139.6 7.2 6.4 12.7 79 99 A H S S+ 0 0 7 -76,-0.4 23,-0.5 -2,-0.4 2,-0.3 0.499 82.4 36.7 -94.5 -11.2 4.0 6.9 10.6 80 100 A R S S- 0 0 33 -77,-0.3 23,-0.3 21,-0.1 -1,-0.1 -0.969 99.8 -94.4-140.4 147.6 6.1 6.1 7.5 81 101 A A B -h 103 0D 0 21,-2.9 2,-2.0 -2,-0.3 23,-1.8 -0.523 34.8-129.9 -62.3 123.3 8.9 3.7 6.8 82 102 A P > - 0 0 3 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.571 29.4-174.3 -78.3 82.9 12.2 5.5 7.3 83 103 A L G > S+ 0 0 30 -2,-2.0 3,-1.7 1,-0.3 -2,-0.0 0.712 74.9 71.3 -62.7 -16.6 13.6 4.3 3.9 84 104 A E G 3 S+ 0 0 161 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.725 99.3 52.1 -67.4 -19.1 17.1 5.9 4.6 85 105 A Q G < S+ 0 0 15 -3,-2.8 51,-2.1 51,-0.1 50,-1.5 0.310 100.6 80.2 -94.6 3.8 17.4 3.0 7.2 86 106 A F E < -I 134 0E 14 -3,-1.7 2,-0.3 48,-0.2 48,-0.2 -0.768 61.9-157.9-109.3 157.7 16.4 0.3 4.6 87 107 A K E -I 133 0E 114 46,-1.8 46,-3.0 -2,-0.3 -3,-0.0 -0.984 31.1 -95.5-135.0 140.8 18.6 -1.4 1.9 88 108 A Q E +I 132 0E 154 -2,-0.3 44,-0.3 44,-0.3 42,-0.0 -0.229 52.3 166.6 -46.3 134.9 17.7 -3.2 -1.3 89 109 A A - 0 0 23 42,-2.4 2,-0.1 3,-0.0 42,-0.1 -0.990 40.4 -95.4-150.5 160.6 17.5 -6.9 -0.9 90 110 A P - 0 0 108 0, 0.0 42,-0.0 0, 0.0 0, 0.0 -0.510 60.3 -84.9 -73.7 150.4 16.2 -10.0 -2.8 91 111 A M - 0 0 74 -2,-0.1 2,-0.2 1,-0.1 40,-0.0 -0.192 51.4-146.1 -54.1 144.3 12.7 -11.0 -1.8 92 112 A a - 0 0 17 -3,-0.1 2,-0.7 26,-0.0 -1,-0.1 -0.535 29.0 -84.8-105.3 173.3 12.8 -13.3 1.2 93 113 A E - 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